COCC1(C(=O)[O-])CN(CC2(CS(C)(=O)=O)CC2)CCO1	REAL300010106001	0	43	-1.0	-59.39	325.69	0.71	-58.68
COCC1(C(=O)[O-])CN(CC2=NN(C3=CC=C(Cl)C=C3)C=C2)CCO1	REAL300010106002	0	44	-1.0	-54.06	370.02	6.61	-47.45
COCC1(C(=O)[O-])CN(CC2=NN(C3=C(F)C=CC=C3F)C=C2)CCO1	REAL300010106003	0	44	-1.0	-59.00	361.03	6.24	-52.76
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C=N2)CCO1	REAL300010106004	0	36	-1.0	-51.94	307.84	3.95	-47.99
COCC1(C(=O)[O-])CN(CC2=NC=C(Br)S2)CCO1	REAL300010106005	0	33	-1.0	-53.24	300.00	2.68	-50.56
COCC1(C(=O)[O-])CN(CC2CCS(=O)(=O)CC2)CCO1	REAL300010106006	1	43	-1.0	-59.60	334.69	1.65	-57.95
COCC1(C(=O)[O-])CN(CC2=CC(C3=C(C)N(C)N=C3)=NO2)CCO1	REAL300010106008	0	46	-1.0	-60.28	369.75	4.68	-55.60
COCC1(C(=O)[O-])CN(CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)CCO1	REAL300010106009	0	49	-1.0	-61.99	394.73	4.01	-57.98
COCC1(C(=O)[O-])CN(CC2=NC(COC3=CC(C)=CC(C)=C3)=NO2)CCO1	REAL300010106010	0	52	-1.0	-66.59	418.52	4.74	-61.85
COCC1(C(=O)[O-])CN(CC(=O)NCCC2=CC=CC3=CC=CN=C32)CCO1	REAL300010106011	0	52	-1.0	-67.23	416.54	4.91	-62.32
COCC1(C(=O)[O-])CN(C(C)CN2CCOCC2)CCO1	REAL300010106012	1	46	-1.0	-51.34	336.63	1.17	-50.17
COCC1(C(=O)[O-])CN(C(C)C2=NN=NN2C2CCCCC2)CCO1	REAL300010106013	0	51	-1.0	-52.05	380.33	5.25	-46.80
COCC1(C(=O)[O-])CN(C(C)C2=CC([N+](=O)[O-])=CC=C2C)CCO1	REAL300010106014	0	45	-1.0	-49.58	350.95	7.09	-42.49
COCC1(C(=O)[O-])CN(CCN2CC3CCC(C2)O3)CCO1	REAL300010106015	0	47	-1.0	-54.44	343.23	2.22	-52.22
COCC1(C(=O)[O-])CN(CC2=CC=C(Br)C3=CC=CN=C23)CCO1	REAL300010106016	0	42	-1.0	-56.01	344.56	5.98	-50.03
COCC1(C(=O)[O-])CN(CC2=NC=NN2CC(C)C)CCO1	REAL300010106017	0	45	-1.0	-51.20	340.63	4.92	-46.28
COCC1(C(=O)[O-])CN(CC2=NN=C(C3CC3)N2C2CC2)CCO1	REAL300010106018	0	47	-1.0	-60.04	368.18	6.52	-53.52
COCC1(C(=O)[O-])CN(CC2=NOC(C(C)(C)C)=C2)CCO1	REAL300010106019	0	45	-1.0	-53.84	351.55	5.10	-48.74
COCC1(C(=O)[O-])CN(C(C)C2=NC=C(Br)C=N2)CCO1	REAL300010106020	0	38	-1.0	-53.63	324.71	3.04	-50.59
COCC1(C(=O)[O-])CN(CCN(CC2=CC=CC=C2)S(C)(=O)=O)CCO1	REAL300010106021	0	51	-1.0	-60.94	406.28	3.42	-57.52
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(F)F)=C2)CCO1	REAL300010106022	0	40	-1.0	-52.35	327.72	5.97	-46.38
COCC1(C(=O)[O-])CN(CC2=CN=CC(Br)=C2)CCO1	REAL300010106023	0	36	-1.0	-50.05	311.76	4.04	-46.01
COCC1(C(=O)[O-])CN(CCOC2=CC=C(Cl)C(F)=C2)CCO1	REAL300010106024	0	41	-1.0	-54.51	342.25	5.31	-49.20
COCC1(C(=O)[O-])CN(CC2=NN=C(C3=CC=C(Cl)C=C3)N2C)CCO1	REAL300010106025	0	46	-1.0	-57.93	373.08	6.22	-51.71
COCC1(C(=O)[O-])CN(CCN2CCOC(C)C2)CCO1	REAL300010106027	0	46	-1.0	-52.69	342.34	1.25	-51.44
COCC1(C(=O)[O-])CN(C(C)C2=NN=NN2C2CC2)CCO1	REAL300010106028	0	42	-1.0	-63.42	329.27	3.11	-60.31
COCC1(C(=O)[O-])CN(CC2=C(F)C=CC(Br)=C2F)CCO1	REAL300010106029	0	37	-1.0	-53.15	317.01	4.99	-48.16
COCC1(C(=O)[O-])CN(CCC(=O)N2CCN(C)CC2)CCO1	REAL300010106030	1	49	-1.0	-53.04	367.82	1.68	-51.36
COCC1(C(=O)[O-])CN(CC2=CN=CC(OCC3=CC=CC=C3)=C2)CCO1	REAL300010106031	0	50	-1.0	-54.13	399.80	6.29	-47.84
COCC1(C(=O)[O-])CN(CC2=NN=C3CCCCCN23)CCO1	REAL300010106032	0	46	-1.0	-53.57	346.41	4.96	-48.61
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2N2C=NC=N2)CCO1	REAL300010106033	0	43	-1.0	-57.35	357.78	8.68	-48.67
COCC1(C(=O)[O-])CN(CC2=C(C)N(CCS(C)(=O)=O)N=C2C)CCO1	REAL300010106034	0	52	-1.0	-65.33	415.97	1.72	-63.61
COCC1(C(=O)[O-])CN(CC2=NC=NN2CCF)CCO1	REAL300010106035	0	39	-1.0	-51.56	314.89	4.25	-47.31
COCC1(C(=O)[O-])CN(CC2=CC3=CC=CC=C3N=C2)CCO1	REAL300010106036	0	42	-1.0	-53.19	336.72	5.58	-47.61
COCC1(C(=O)[O-])CN(CC(=O)NCC2CCCO2)CCO1	REAL300010106037	0	45	-1.0	-54.65	352.87	1.13	-53.52
COCC1(C(=O)[O-])CN(CC(=O)C2=C(N)N(C)C(=O)N(C)C2=O)CCO1	REAL300010106038	0	47	-1.0	-60.49	367.56	2.65	-57.84
COCC1(C(=O)[O-])CN(CC(=O)N2CCCC(C)C2)CCO1	REAL300010106039	0	47	-1.0	-53.38	354.24	4.69	-48.69
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C([N+](=O)[O-])C=C2Cl)CCO1	REAL300010106040	0	43	-1.0	-57.94	371.16	4.79	-53.15
COCCCNC(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106041	0	44	-1.0	-65.53	350.28	0.56	-64.97
COCC1(C(=O)[O-])CN(CC2=NC(=O)C3=C(N2)SC(C)=C3C)CCO1	REAL300010106042	0	45	-1.0	-82.73	367.77	4.19	-78.54
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300010106043	0	47	-1.0	-63.91	396.02	2.98	-60.93
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=CC=C2Cl)CCO1	REAL300010106044	0	45	-1.0	-62.16	380.35	2.83	-59.33
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=C(C)C=C2)CCO1	REAL300010106045	0	48	-1.0	-64.51	389.23	3.14	-61.37
COCC1(C(=O)[O-])CN(CCOC2=CC=CC(Br)=C2)CCO1	REAL300010106046	0	41	-1.0	-59.20	345.60	5.15	-54.05
COCC1(C(=O)[O-])CN(C(C(=O)NC2=CC=C(C)C=C2)C2=CC=CC=C2)CCO1	REAL300010106047	0	54	-1.0	-69.77	423.94	8.05	-61.72
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=CC=C2)CCO1	REAL300010106048	0	45	-1.0	-64.60	367.83	2.46	-62.14
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=CC(Cl)=C2)CCO1	REAL300010106049	0	45	-1.0	-60.57	384.55	2.83	-57.74
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2=CC=CS2)CCO1	REAL300010106050	0	42	-1.0	-61.27	359.97	1.37	-59.90
COCC1(C(=O)[O-])CN(CCS(=O)(=O)OC2=CC=CC=C2)CCO1	REAL300010106051	0	44	-1.0	-58.73	359.74	2.90	-55.83
COCC1(C(=O)[O-])CN(C(C)C(=O)N2CCC3=CC=CC=C3C2)CCO1	REAL300010106052	0	51	-1.0	-63.43	382.94	6.43	-57.00
COCC1(C(=O)[O-])CN(C(C)C(=O)N(C)C2CCCCC2)CCO1	REAL300010106053	0	53	-1.0	-61.95	378.83	5.24	-56.71
COCC1(C(=O)[O-])CN(C(C)C(=O)N2CCCCC2)CCO1	REAL300010106054	0	47	-1.0	-61.93	349.09	4.21	-57.72
COCC1(C(=O)[O-])CN(C2C3=CC=CC=C3C3=CC=CC=C32)CCO1	REAL300010106055	1	45	-1.0	-54.68	351.59	8.18	-46.50
COCC1(C(=O)[O-])CN(C(C)C(=O)C2=C(N)N(C)C(=O)N(C)C2=O)CCO1	REAL300010106056	0	50	-1.0	-60.15	375.13	2.87	-57.28
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2OC2=CC=CC=C2)CCO1	REAL300010106058	0	48	-1.0	-57.45	373.14	7.40	-50.05
COCC1(C(=O)[O-])CN(C(C)C(=O)NCC(F)(F)F)CCO1	REAL300010106059	0	40	-1.0	-59.20	332.32	1.49	-57.71
COCC1(C(=O)[O-])CN(CC2=NN=C3N2C2=CC=CC=C2C(=O)N3C)CCO1	REAL300010106060	0	48	-1.0	-62.64	372.34	7.55	-55.09
COCC1(C(=O)[O-])CN(CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)CCO1	REAL300010106061	0	50	-1.0	-54.45	404.63	3.17	-51.28
CCCCCNC(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106062	0	46	-1.0	-65.79	359.61	3.05	-62.74
COCC1(C(=O)[O-])CN(C(C)C(=O)C2=C(C)C(C(C)=O)=C(C)N2)CCO1	REAL300010106063	0	51	-1.0	-64.44	402.60	5.25	-59.19
COCC1(C(=O)[O-])CN(C(C)C(=O)NC2CCS(=O)(=O)C2)CCO1	REAL300010106064	0	47	-1.0	-71.27	376.60	-0.76	-72.03
COCC1(C(=O)[O-])CN(CC2=NC(N)=NC(NC3=CC=C(F)C=C3)=N2)CCO1	REAL300010106065	0	48	-1.0	-55.84	393.88	7.34	-48.50
COCC1(C(=O)[O-])CN(CC2=CC=C(S(=O)(=O)C(F)F)C=C2)CCO1	REAL300010106066	0	43	-1.0	-61.72	365.12	2.66	-59.06
COCC1(C(=O)[O-])CN(CC2=NC3=CC=CC=C3C(=O)N2C)CCO1	REAL300010106067	0	45	-1.0	-59.71	356.41	5.59	-54.12
COCC1(C(=O)[O-])CN(CC2=NC3=CC=CC=C3C(N)=N2)CCO1	REAL300010106068	0	43	-1.0	-57.97	343.84	3.37	-54.60
COCC1(C(=O)[O-])CN(CC2=NC(N)=NC(N(C)C)=N2)CCO1	REAL300010106069	0	44	-1.0	-54.15	348.45	5.23	-48.92
COCC1(C(=O)[O-])CN(C(C)C2=NC(N)=NC(N(C)C)=N2)CCO1	REAL300010106070	0	47	-1.0	-53.70	371.13	6.13	-47.57
COCC1(C(=O)[O-])CN(C(C)C2=NC(NC3=CC=CC=C3)=NC(N)=N2)CCO1	REAL300010106071	0	51	-1.0	-57.24	406.36	7.85	-49.39
COCC1(C(=O)[O-])CN(CCC(=O)NC2=CC([N+](=O)[O-])=CC=C2F)CCO1	REAL300010106072	0	46	-1.0	-57.85	381.83	4.66	-53.19
COCC1(C(=O)[O-])CN(C(C)C(=O)NC2=CC=CC(C)=C2C)CCO1	REAL300010106073	0	50	-1.0	-63.31	382.66	5.75	-57.56
COCC1(C(=O)[O-])CN(C(C)C(=O)NC2=CC(C)=CC(C)=C2)CCO1	REAL300010106074	0	50	-1.0	-56.34	383.46	4.87	-51.47
CCC1=CC=CC=C1NC(=O)C(C)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106075	0	50	-1.0	-63.69	378.50	5.82	-57.87
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC(F)=C2)CCO1	REAL300010106076	0	37	-1.0	-49.76	308.37	5.43	-44.33
COCC1(C(=O)[O-])CN(CC2=CC=C(F)C=C2Cl)CCO1	REAL300010106077	0	37	-1.0	-52.17	304.70	4.74	-47.43
COCC1(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2Cl)CCO1	REAL300010106078	0	37	-1.0	-56.19	324.22	5.73	-50.46
COCC1(C(=O)[O-])CN(CC2=NC3=C(C=NN3C3=CC=CC=C3)C(=O)N2)CCO1	REAL300010106079	0	49	-1.0	-58.10	397.23	6.08	-52.02
COCC1(C(=O)[O-])CN(CC2=C(F)C=CC=C2F)CCO1	REAL300010106080	0	37	-1.0	-55.03	297.48	4.61	-50.42
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2F)CCO1	REAL300010106081	0	37	-1.0	-50.57	308.61	4.91	-45.66
COCC1(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2F)CCO1	REAL300010106082	0	37	-1.0	-58.97	316.39	5.39	-53.58
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C(F)=C2)CCO1	REAL300010106083	0	37	-1.0	-51.24	312.78	5.06	-46.18
COCC1(C(=O)[O-])CN(CC2=CSC(NC3=CC=CC=C3)=N2)CCO1	REAL300010106084	0	45	-1.0	-53.42	369.75	5.45	-47.97
COCC1(C(=O)[O-])CN(C2C3=CC=CC=C3C3=CC=CC=C32)CCO1	REAL300010106085	1	45	-1.0	-54.68	351.59	8.18	-46.50
COCC1(C(=O)[O-])CN(CC2=NN=C3N2C2=C(SC=C2)C(=O)N3C)CCO1	REAL300010106086	0	45	-1.0	-52.92	372.79	6.88	-46.04
COCC1(C(=O)[O-])CN(CC(=O)N2CCN(C3=CN=CC=N3)CC2)CCO1	REAL300010106087	0	51	-1.0	-57.17	394.74	2.60	-54.57
COCC1(C(=O)[O-])CN(CC(=O)NC2=NC3=CC=CC=C3S2)CCO1	REAL300010106088	0	43	-1.0	-60.04	363.82	4.72	-55.32
COCC1(C(=O)[O-])CN(CC2=CC=C(S(C)(=O)=O)C=C2)CCO1	REAL300010106089	0	43	-1.0	-65.79	351.93	2.25	-63.54
COCC1(C(=O)[O-])CN(CCOC2=CC=CC(OC)=C2)CCO1	REAL300010106090	0	45	-1.0	-57.19	349.15	4.04	-53.15
CCOC1=CC=CC=C1NC(=O)CCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106091	1	51	-1.0	-56.80	399.92	4.29	-52.51
COCC1=NOC(CN2CCOC(COC)(C(=O)[O-])C2)=N1	REAL300010106092	0	39	-1.0	-62.85	319.50	-0.14	-62.99
CCC(=O)NNC(=O)C(C)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106093	0	44	-1.0	-55.67	345.66	0.62	-55.05
COCC1(C(=O)[O-])CN(CC(=O)NNC(=O)C2CC2)CCO1	REAL300010106094	0	42	-1.0	-63.65	342.96	0.97	-62.68
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2SC)CCO1	REAL300010106095	0	41	-1.0	-54.99	321.21	5.07	-49.92
COCC1(C(=O)[O-])CN(CC2=CC=C(C(F)(F)F)C=N2)CCO1	REAL300010106096	0	39	-1.0	-52.11	329.98	4.41	-47.70
COCC1(C(=O)[O-])CN(CC2=NC=C(Cl)C=C2Cl)CCO1	REAL300010106097	0	36	-1.0	-53.59	312.80	4.01	-49.58
COCC1(C(=O)[O-])CN(CC2=C(Cl)C=CS2)CCO1	REAL300010106098	0	34	-1.0	-54.62	292.80	4.38	-50.24
COCC1(C(=O)[O-])CN(CC2=CC(OC)=CC=C2Br)CCO1	REAL300010106099	0	41	-1.0	-53.24	343.15	4.94	-48.30
COCC1(C(=O)[O-])CN(CCOC2=CC=CC=C2Br)CCO1	REAL300010106100	0	41	-1.0	-60.21	344.30	5.26	-54.95
CCC1=C(C)C=C(C(=O)NNC(=O)CN2CCOC(COC)(C(=O)[O-])C2)S1	REAL300010106101	0	51	-1.0	-61.08	421.60	3.49	-57.59
COCC1(C(=O)[O-])CN(CC2=NC=C(Cl)S2)CCO1	REAL300010106102	0	33	-1.0	-53.31	295.36	2.57	-50.74
COCC1(C(=O)[O-])CN(CC2=NC3=CC=CN=C3S2)CCO1	REAL300010106103	0	38	-1.0	-61.72	319.56	2.76	-58.96
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)S2)CCO1	REAL300010106104	0	34	-1.0	-51.72	299.10	4.74	-46.98
COCC1(C(=O)[O-])CN(CCC(=O)NC2=CC=CC(Cl)=C2)CCO1	REAL300010106105	1	44	-1.0	-55.56	364.44	4.41	-51.15
COCC1(C(=O)[O-])CN(CCCOCC2=CC=CC=C2)CCO1	REAL300010106106	1	47	-1.0	-53.26	368.73	5.48	-47.78
COCC1(C(=O)[O-])CN(CC2=CC=C(OC)C(Cl)=C2)CCO1	REAL300010106107	0	41	-1.0	-53.13	335.67	4.34	-48.79
COCC1(C(=O)[O-])CN(C(C)C2=CC=CC(Cl)=C2)CCO1	REAL300010106108	0	40	-1.0	-51.06	328.74	6.74	-44.32
COCC1(C(=O)[O-])CN(CCCC2=CC=CC=C2OC)CCO1	REAL300010106109	1	47	-1.0	-54.18	363.01	5.55	-48.63
COCC1(C(=O)[O-])CN(CC2=NC=NN2C2=CC=CC=C2)CCO1	REAL300010106110	0	43	-1.0	-51.50	345.73	7.84	-43.66
COCC1(C(=O)[O-])CN(CC2=NC(C3CCCC3)=NO2)CCO1	REAL300010106111	0	45	-1.0	-50.06	353.92	3.49	-46.57
COCC1(C(=O)[O-])CN(CC2=NN(C3=CC=CC=C3)C=N2)CCO1	REAL300010106112	0	43	-1.0	-63.64	347.93	6.48	-57.16
COCC1(C(=O)[O-])CN(CC2=CSC(C3CC3)=N2)CCO1	REAL300010106113	0	40	-1.0	-53.76	329.22	4.43	-49.33
COCC1(C(=O)[O-])C[N@H+](CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300010106114	1	40	-1.0	-89.84	324.28	7.81	-82.03
COCC1(C(=O)[O-])C[N@@H+](CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300010106114	1	40	-1.0	-91.35	324.33	7.67	-83.68
COCC1(C(=O)[O-])CN(CC2=NC(C3CC3)=NN2C)CCO1	REAL300010106115	0	43	-1.0	-58.34	337.59	4.31	-54.03
COCC1(C(=O)[O-])CN(C(C)C2=CC=C(Cl)C(Cl)=C2)CCO1	REAL300010106116	0	40	-1.0	-49.17	344.04	6.87	-42.30
COCC1(C(=O)[O-])CN(CCC2CC2(Cl)Cl)CCO1	REAL300010106117	0	37	-1.0	-53.24	321.00	5.49	-47.75
COCC1(C(=O)[O-])CN(CC2=CC=CC(OCC3=CC=CC=N3)=C2)CCO1	REAL300010106118	0	50	-1.0	-55.42	394.23	6.08	-49.34
COCC1(C(=O)[O-])CN(CC2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCO1	REAL300010106119	0	49	-1.0	-61.93	400.24	2.58	-59.35
COCC1(C(=O)[O-])CN(CC2=CSC(C3=CC=C(C)O3)=N2)CCO1	REAL300010106120	0	43	-1.0	-55.75	360.91	4.45	-51.30
COCC1(C(=O)[O-])CN(CC2=NOC(C3CCCCC3)=N2)CCO1	REAL300010106121	0	48	-1.0	-53.80	370.33	3.44	-50.36
COCC1(C(=O)[O-])CN(CCOC2=CC=CC=C2C)CCO1	REAL300010106122	0	44	-1.0	-55.54	337.63	5.42	-50.12
COCC1(C(=O)[O-])CN(CCOC2=C(C)C=CC=C2C)CCO1	REAL300010106123	0	47	-1.0	-56.89	359.66	5.91	-50.98
COCC1(C(=O)[O-])CN(CC2=CC=CC(Br)=C2)CCO1	REAL300010106124	0	37	-1.0	-50.32	311.49	5.10	-45.22
COCC1(C(=O)[O-])CN(CC2=NOC(C3=CC=CC=C3)=C2)CCO1	REAL300010106125	0	43	-1.0	-55.41	348.35	6.13	-49.28
COCC1(C(=O)[O-])CN(CC2=CN3C=CC=NC3=N2)CCO1	REAL300010106126	0	39	-1.0	-62.14	313.93	5.74	-56.40
COCC1(C(=O)[O-])CN(CC2=CC=C(F)C(Cl)=C2)CCO1	REAL300010106127	0	37	-1.0	-51.14	312.78	5.05	-46.09
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC=C2Cl)CCO1	REAL300010106128	0	37	-1.0	-51.41	316.99	5.61	-45.80
COCC1(C(=O)[O-])CN(CC2=NOC(CCCC(=O)OC)=N2)CCO1	REAL300010106129	0	47	-1.0	-59.04	383.09	2.35	-56.69
COCC1(C(=O)[O-])CN(CCOC2=CC=C(F)C=C2Cl)CCO1	REAL300010106130	0	41	-1.0	-58.68	346.32	5.19	-53.49
COCC1(C(=O)[O-])CN(CC2=CC=CC(F)=C2Cl)CCO1	REAL300010106131	0	37	-1.0	-57.74	315.72	5.44	-52.30
COCC1(C(=O)[O-])CN(CCCC2=CC=CC(F)=C2)CCO1	REAL300010106132	1	43	-1.0	-54.02	342.10	6.50	-47.52
COCC1(C(=O)[O-])CN(CC2=C(Cl)N(C)N=C2C(F)(F)F)CCO1	REAL300010106133	0	40	-1.0	-55.61	346.48	3.70	-51.91
COCC1(C(=O)[O-])CN(CC2=CC(OC)=CC=C2Cl)CCO1	REAL300010106134	0	41	-1.0	-54.02	340.06	4.84	-49.18
COCC1(C(=O)[O-])CN(CC2=NN(C3=CC=C(F)C=C3F)C=C2)CCO1	REAL300010106135	0	44	-1.0	-52.14	360.90	5.79	-46.35
COCC1(C(=O)[O-])CN(CC2=C(C(F)(F)F)N=C(C)S2)CCO1	REAL300010106136	0	39	-1.0	-51.28	326.74	3.53	-47.75
COCC1(C(=O)[O-])CN(CCOC2=CC(F)=CC(Br)=C2)CCO1	REAL300010106137	0	41	-1.0	-52.70	353.77	5.52	-47.18
COCC1(C(=O)[O-])CN(CC2=CC=C(C(F)F)C=C2)CCO1	REAL300010106138	0	40	-1.0	-54.44	325.41	5.66	-48.78
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC=C2F)CCO1	REAL300010106139	0	43	-1.0	-58.33	351.20	6.70	-51.63
COCC1(C(=O)[O-])CN(CCOC2=CC=CC=C2C(=O)OC)CCO1	REAL300010106140	0	47	-1.0	-71.28	376.53	5.97	-65.31
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC(Cl)=C2Cl)CCO1	REAL300010106141	0	43	-1.0	-56.72	368.56	6.95	-49.77
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CSC=C2)CCO1	REAL300010106142	0	40	-1.0	-59.40	337.11	4.83	-54.57
COCC1(C(=O)[O-])CN(CC2=CC(C(=O)OC)=CC=C2Cl)CCO1	REAL300010106143	0	43	-1.0	-53.46	365.32	6.22	-47.24
COCC1(C(=O)[O-])CN(C2CCN(C3=C(C(=O)OC)C=CS3)C2=O)CCO1	REAL300010106144	0	48	-1.0	-71.29	396.76	5.49	-65.80
COCC1(C(=O)[O-])CN(CC2(CC(=O)OC)CC2)CCO1	REAL300010106145	0	43	-1.0	-54.58	321.45	4.22	-50.36
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC=C2C(F)(F)F)CCO1	REAL300010106146	0	46	-1.0	-53.11	375.20	7.26	-45.85
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CSC=C2)CCO1	REAL300010106147	0	40	-1.0	-59.40	337.11	4.83	-54.57
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)OC)C=C2)CCO1	REAL300010106148	0	43	-1.0	-56.59	346.00	5.40	-51.19
COCC1(C(=O)[O-])CN(CC(=O)OC2CC(C)CCC2C(C)C)CCO1	REAL300010106149	0	58	-1.0	-63.02	425.76	8.13	-54.89
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C(C(=O)OC)C=C2)CCO1	REAL300010106150	0	47	-1.0	-56.84	384.72	4.39	-52.45
CCOC(=O)C1=CC=C(NC(=O)CN2CCOC(COC)(C(=O)[O-])C2)C=C1	REAL300010106151	0	50	-1.0	-66.63	405.66	5.06	-61.57
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=CC=C2C(=O)OC)CCO1	REAL300010106152	0	47	-1.0	-55.69	378.73	4.66	-51.03
CCOC(=O)C1=CC=CC=C1NC(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106153	0	50	-1.0	-55.55	401.72	5.65	-49.90
CCOC(=O)N1CCN(C(=O)CN2CCOC(COC)(C(=O)[O-])C2)CC1	REAL300010106154	0	52	-1.0	-56.54	403.50	3.79	-52.75
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC(C(=O)OC)=CC=C2C)CCO1	REAL300010106155	0	50	-1.0	-62.07	403.39	5.29	-56.78
COCC1(C(=O)[O-])CN(CC(=O)N2CCC(C(=O)OC)CC2)CCO1	REAL300010106156	0	50	-1.0	-65.88	387.27	4.33	-61.55
CCOC(=O)C1=C(CN2CCOC(COC)(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300010106157	0	49	-1.0	-55.42	386.41	6.65	-48.77
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC(C)=CC=C23)CCO1	REAL300010106158	0	45	-1.0	-66.60	351.26	6.70	-59.90
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC(OC)=CC=C23)CCO1	REAL300010106159	0	46	-1.0	-67.87	359.15	5.31	-62.56
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC(C)=C(C(C)C)C=C23)CCO1	REAL300010106160	0	54	-1.0	-64.54	405.19	8.40	-56.14
CCC1=CC=C2C(CN3CCOC(COC)(C(=O)[O-])C3)=CC(=O)OC2=C1	REAL300010106161	0	48	-1.0	-66.17	372.67	7.45	-58.72
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC4=C(C=C23)CCC4)CCO1	REAL300010106162	0	49	-1.0	-65.53	375.26	7.90	-57.63
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=C(C)C(C)=CC=C23)CCO1	REAL300010106163	0	48	-1.0	-67.06	366.87	7.17	-59.89
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC(C)=C(C)C=C23)CCO1	REAL300010106164	0	48	-1.0	-66.00	368.67	7.23	-58.77
COCC1(C(=O)[O-])CN(CC2=CC(=O)OC3=CC(NC(C)=O)=CC=C23)CCO1	REAL300010106165	0	49	-1.0	-78.76	385.70	4.92	-73.84
COCC1(C(=O)[O-])CN(C(C)C(=O)NCC2=CC=C(C(=O)OC)C=C2)CCO1	REAL300010106166	0	53	-1.0	-67.15	427.73	4.84	-62.31
COCC1(C(=O)[O-])CN(CC2=NC(=O)C3=CC=C(C(=O)OC)C=C3N2)CCO1	REAL300010106167	0	48	-1.0	-79.07	394.44	4.41	-74.66
CCOC(=O)C1=C(CN2CCOC(COC)(C(=O)[O-])C2)NC(=O)NC1C	REAL300010106168	0	50	-1.0	-54.58	392.88	2.65	-51.93
COCC1(C(=O)[O-])CN(CC(=O)C2=C(C)C(C(=O)OC)=C(C)N2)CCO1	REAL300010106169	0	49	-1.0	-57.53	398.32	5.22	-52.31
CCOC(=O)CN(C(=O)CN1CCOC(COC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300010106170	0	53	-1.0	-62.63	423.92	7.16	-55.47
COCC1(C(=O)[O-])CN(C(C)C(=O)C2=C(C)C(C(=O)OC)=C(C)N2)CCO1	REAL300010106171	0	52	-1.0	-63.57	413.44	5.40	-58.17
CCC1=CC2=C(C=C1Cl)C(CN1CCOC(COC)(C(=O)[O-])C1)=CC(=O)O2	REAL300010106172	0	48	-1.0	-61.07	385.17	7.80	-53.27
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=CC(C(=O)OC)=C2)CCO1	REAL300010106173	0	47	-1.0	-62.91	384.87	4.39	-58.52
CCOC(=O)C1CCCCN1C(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106174	0	53	-1.0	-71.57	403.39	6.11	-65.46
COCC1(C(=O)[O-])CN(CC(=O)NCCC(=O)OC)CCO1	REAL300010106175	0	43	-1.0	-73.72	350.57	1.51	-72.21
CCC(C)C(NC(=O)CN1CCOC(COC)(C(=O)[O-])C1)C(=O)OC	REAL300010106176	0	52	-1.0	-63.68	400.85	3.83	-59.85
CCOC(=O)N1CCC(NC(=O)CN2CCOC(COC)(C(=O)[O-])C2)CC1	REAL300010106177	0	55	-1.0	-66.98	427.10	3.03	-63.95
CCOC(=O)C1=C(NC(=O)CN2CCOC(COC)(C(=O)[O-])C2)SC=C1	REAL300010106178	0	47	-1.0	-53.71	393.38	4.53	-49.18
COCC1(C(=O)[O-])CN(CC(=O)NC2=C(C(=O)OC)SC=C2)CCO1	REAL300010106179	0	44	-1.0	-59.63	367.90	3.32	-56.31
COCC1(C(=O)[O-])CN(CC(=O)N(C)C2=CC=CC=C2C(=O)OC)CCO1	REAL300010106180	0	50	-1.0	-65.76	401.04	6.41	-59.35
CCOC(=O)C1=C(C)C(C(=O)CN2CCOC(COC)(C(=O)[O-])C2)=C(C)N1	REAL300010106181	0	52	-1.0	-71.93	408.80	5.41	-66.52
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)OC)C=C2)CCO1	REAL300010106182	0	43	-1.0	-56.59	346.00	5.40	-51.19
CCOC(=O)CCCCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106184	1	45	-1.0	-55.50	352.11	4.90	-50.60
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC=C2C)CCO1	REAL300010106185	0	46	-1.0	-53.56	360.02	7.13	-46.43
COCC1(C(=O)[O-])CN(CC2=C(C)SC(C(=O)OC)=C2)CCO1	REAL300010106186	0	43	-1.0	-53.10	349.09	4.66	-48.44
COCC1(C(=O)[O-])CN(CCOC2=CC=CC(C(=O)OC)=C2)CCO1	REAL300010106187	0	47	-1.0	-67.21	379.09	5.19	-62.02
COCC1(C(=O)[O-])CN(CC2=CSC(CC(=O)OC(C)C)=N2)CCO1	REAL300010106188	0	48	-1.0	-57.99	398.41	5.20	-52.79
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(=O)OC)=C2)CCO1	REAL300010106189	0	43	-1.0	-54.43	344.99	5.14	-49.29
CCOC(=O)C1=C(NC(=O)CN2CCOC(COC)(C(=O)[O-])C2)N(C)N=C1	REAL300010106190	0	50	-1.0	-54.98	401.26	3.93	-51.05
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)OC)S2)CCO1	REAL300010106191	0	40	-1.0	-56.73	338.01	4.85	-51.88
COCC1(C(=O)[O-])CN(CCC(=O)N(C)CC(=O)OC)CCO1	REAL300010106192	1	46	-1.0	-60.10	366.40	3.51	-56.59
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC(Cl)=C2)CCO1	REAL300010106193	0	43	-1.0	-62.64	363.53	6.63	-56.01
CCCC(C(=O)OCC)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106194	0	45	-1.0	-57.44	345.53	5.49	-51.95
CCCCOC(=O)C(C)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106195	0	45	-1.0	-58.93	348.85	5.22	-53.71
COCC1(C(=O)[O-])CN(CCOC2=CC=C3C(C)=CC(=O)OC3=C2)CCO1	REAL300010106196	0	49	-1.0	-70.58	390.13	6.59	-63.99
COCC1(C(=O)[O-])CN(CC2=CC=C3OC(C(=O)OC)=CC3=C2)CCO1	REAL300010106197	0	46	-1.0	-57.36	375.31	6.10	-51.26
COCC1(C(=O)[O-])CN(CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)CCO1	REAL300010106198	0	42	-1.0	-56.70	364.99	4.58	-52.12
CCCCOC(=O)CCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106199	0	45	-1.0	-52.18	353.10	5.12	-47.06
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2)CCO1	REAL300010106200	0	45	-1.0	-57.01	357.64	2.29	-54.72
COCC1(C(=O)[O-])CN(CC2=CC=C(CS(C)(=O)=O)C=C2)CCO1	REAL300010106201	0	46	-1.0	-64.75	376.26	2.93	-61.82
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2OCC2=CC=CC=C2)CCO1	REAL300010106202	0	51	-1.0	-56.88	393.13	7.95	-48.93
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2C2CC2)CCO1	REAL300010106203	1	44	-1.0	-53.10	340.04	7.05	-46.05
COCC1(C(=O)[O-])CN(CC2=CC=C(C)C=C2Cl)CCO1	REAL300010106204	0	40	-1.0	-53.72	319.71	5.34	-48.38
COCC1(C(=O)[O-])CN(CC2=CC(C(C)C)=CC=C2OC)CCO1	REAL300010106205	0	50	-1.0	-54.33	375.89	6.33	-48.00
COCC1(C(=O)[O-])CN(CC2=CC=CC3=C2OC(F)(F)O3)CCO1	REAL300010106206	0	40	-1.0	-61.91	334.24	3.94	-57.97
COCC1(C(=O)[O-])CN(CCCC2=C(F)C=CC=C2F)CCO1	REAL300010106207	0	43	-1.0	-56.04	346.31	6.48	-49.56
COCC1(C(=O)[O-])CN(CC2=NN(C(C)(C)C)N=N2)CCO1	REAL300010106208	0	44	-1.0	-53.60	350.38	3.08	-50.52
COCC1(C(=O)[O-])CN(CC2=CC=C(OCC(F)(F)F)N=N2)CCO1	REAL300010106209	0	42	-1.0	-51.08	357.62	1.74	-49.34
COCC1(C(=O)[O-])CN(CC2=CC3=CC(Cl)=CC=C3N=C2Cl)CCO1	REAL300010106210	0	42	-1.0	-56.43	367.72	6.21	-50.22
COCC1(C(=O)[O-])CN(CC2=CC(O)=CC=C2[N+](=O)[O-])CCO1	REAL300010106211	1	40	-1.0	-64.53	327.37	2.98	-61.55
COCC1(C(=O)[O-])CN(CC2=CC(Br)=CC(F)=C2F)CCO1	REAL300010106212	0	37	-1.0	-49.96	319.39	5.07	-44.89
COCC1(C(=O)[O-])CN(CC2=CC=CC(OC(F)(F)F)=C2)CCO1	REAL300010106213	0	41	-1.0	-50.22	336.19	4.28	-45.94
COCC1(C(=O)[O-])CN(CCC2=CC=C3OC(F)(F)OC3=C2)CCO1	REAL300010106214	0	43	-1.0	-53.94	355.33	4.81	-49.13
COCC1(C(=O)[O-])CN(CCSC2=CC=CC(Cl)=C2)CCO1	REAL300010106215	0	41	-1.0	-51.07	348.73	6.41	-44.66
COCC1(C(=O)[O-])CN(CCSC2=CC=CC(OC)=C2)CCO1	REAL300010106216	0	45	-1.0	-53.16	361.49	5.20	-47.96
COCC1(C(=O)[O-])CN(CC2=CC=CC(F)=C2OC(F)F)CCO1	REAL300010106217	0	41	-1.0	-54.02	329.23	6.70	-47.32
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC=C2OC(F)F)CCO1	REAL300010106218	0	41	-1.0	-52.21	339.25	4.53	-47.68
COCC1(C(=O)[O-])CN(CCC2=CC=C(C#N)C=C2)CCO1	REAL300010106219	1	41	-1.0	-53.71	334.06	5.81	-47.90
COCC1(C(=O)[O-])CN(CC2=C(Br)C3=CC=CC=C3O2)CCO1	REAL300010106220	0	40	-1.0	-57.74	336.88	6.00	-51.74
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(C)(C)C)=C2)CCO1	REAL300010106221	0	49	-1.0	-51.20	371.75	7.44	-43.76
COCC1(C(=O)[O-])CN(CC2=CN(C(C)(C)C)N=N2)CCO1	REAL300010106222	0	45	-1.0	-56.80	350.13	3.44	-53.36
COCC1(C(=O)[O-])CN(CCSC2=CC=C(F)C=C2F)CCO1	REAL300010106223	0	41	-1.0	-50.59	346.68	6.30	-44.29
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C(C(F)(F)F)=C2)CCO1	REAL300010106225	0	40	-1.0	-51.49	342.15	5.90	-45.59
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=C(C)C=C2Br)CCO1	REAL300010106226	0	40	-1.0	-51.20	348.59	6.45	-44.75
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=C(Cl)C=C2)CCO1	REAL300010106227	0	43	-1.0	-61.04	363.55	6.49	-54.55
COCC1(C(=O)[O-])CN(C(C)C2=CC=C(Cl)C=C2)CCO1	REAL300010106228	0	40	-1.0	-51.96	321.18	6.40	-45.56
COCC1(C(=O)[O-])CN(CC2=CSC(C(=O)OC)=C2)CCO1	REAL300010106229	0	40	-1.0	-54.09	342.00	5.01	-49.08
COCC1(C(=O)[O-])CN(CC2=NS(=O)(=O)C3=CC=CC=C32)CCO1	REAL300010106230	0	41	-1.0	-75.14	344.43	1.69	-73.45
COCC1(C(=O)[O-])CN(C2CCCN(CCC(=O)OC)C2=O)CCO1	REAL300010106231	0	50	-1.0	-72.23	385.34	4.20	-68.03
COCC1(C(=O)[O-])CN(CC2=CC=CC(OC)=C2Cl)CCO1	REAL300010106232	0	41	-1.0	-58.86	337.82	4.61	-54.25
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C(Cl)N=C2)CCO1	REAL300010106233	0	40	-1.0	-60.59	340.62	2.16	-58.43
COCC1(C(=O)[O-])CN(CC2=CC=C(C)N=C2Cl)CCO1	REAL300010106234	0	39	-1.0	-62.59	316.01	3.82	-58.77
COCC1(C(=O)[O-])CN(CC2=NC=C(Br)C=C2Cl)CCO1	REAL300010106235	0	36	-1.0	-53.53	317.37	4.12	-49.41
COCC1(C(=O)[O-])CN(CC2=CC=CC(OC)=C2Cl)CCO1	REAL300010106236	0	41	-1.0	-58.86	337.82	4.61	-54.25
COCC1(C(=O)[O-])CN(CC2=CN(C(C)(C)C)N=C2)CCO1	REAL300010106237	0	46	-1.0	-53.46	358.89	5.08	-48.38
COCC1(C(=O)[O-])CN(C2CCN(CCC(=O)OC)C2=O)CCO1	REAL300010106238	0	47	-1.0	-64.24	366.62	3.46	-60.78
COCC1(C(=O)[O-])CN(CC2=NN(CC(F)(F)F)N=N2)CCO1	REAL300010106239	0	38	-1.0	-53.94	329.94	2.31	-51.63
COCC1(C(=O)[O-])CN(CC2=NC=CC(OC)=C2OC)CCO1	REAL300010106240	0	44	-1.0	-54.54	349.23	3.15	-51.39
COCC1(C(=O)[O-])CN(CC(OC)C2=CC=C(F)C=C2)CCO1	REAL300010106241	0	44	-1.0	-55.13	344.49	4.30	-50.83
COCC1(C(=O)[O-])CN(CC2=COC(S(C)(=O)=O)=C2)CCO1	REAL300010106242	0	40	-1.0	-60.11	340.18	0.92	-59.19
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=C(C)C=C2Br)CCO1	REAL300010106243	0	40	-1.0	-51.20	348.59	6.45	-44.75
COCC1(C(=O)[O-])CN(CC2=CC=C(F)C(Cl)=C2)CCO1	REAL300010106244	0	37	-1.0	-51.14	312.78	5.05	-46.09
COCC1(C(=O)[O-])CN(CC2=CC=CN=C2C(F)(F)F)CCO1	REAL300010106245	0	39	-1.0	-50.48	310.44	3.68	-46.80
COCC1(C(=O)[O-])CN(CC2=CC=CC3=C2OC(F)(F)O3)CCO1	REAL300010106246	0	40	-1.0	-61.91	334.24	3.94	-57.97
COCC1(C(=O)[O-])CN(CC2=CN=C(C3=CC=CC=C3)N=C2)CCO1	REAL300010106247	0	45	-1.0	-61.13	360.59	5.90	-55.23
COCCOCCOCCCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106248	1	51	-1.0	-56.10	397.92	2.02	-54.08
COCC1(C(=O)[O-])CN(CC2=NC=CC=C2Cl)CCO1	REAL300010106249	0	36	-1.0	-55.61	295.95	3.51	-52.10
COCC1(C(=O)[O-])CN(CC2=NC=CC=C2Cl)CCO1	REAL300010106250	0	36	-1.0	-55.61	295.95	3.51	-52.10
COCC1(C(=O)[O-])CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1	REAL300010106251	0	37	-1.0	-50.54	331.80	0.15	-50.39
COCC1(C(=O)[O-])CN(CC2=CC(C3=CC=C(OC)C=C3)=NO2)CCO1	REAL300010106252	0	47	-1.0	-54.12	380.54	5.79	-48.33
COCC1(C(=O)[O-])CN(CC(CC2=CC=C(F)C=C2)OC)CCO1	REAL300010106253	1	47	-1.0	-59.81	360.92	5.82	-53.99
COCC1(C(=O)[O-])CN(CC2=CC=C(C#N)C=C2C(F)(F)F)CCO1	REAL300010106254	0	41	-1.0	-51.71	333.19	5.29	-46.42
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C(Cl)C(F)=C2)CCO1	REAL300010106255	0	41	-1.0	-65.53	351.59	4.06	-61.47
COCC1(C(=O)[O-])CN(C2CCN(C3CCCCC3)C2=O)CCO1	REAL300010106256	0	51	-1.0	-63.56	371.90	4.94	-58.62
COCC1(C(=O)[O-])CN(CC2=NN(C)C(Cl)=C2)CCO1	REAL300010106257	0	37	-1.0	-52.30	315.62	3.34	-48.96
COCC1(C(=O)[O-])CN(CCC2SCCS2)CCO1	REAL300010106258	1	39	-1.0	-53.77	321.28	5.03	-48.74
COCC1(C(=O)[O-])CN(CC2=CN=CC(Cl)=C2)CCO1	REAL300010106259	0	36	-1.0	-50.12	307.19	3.94	-46.18
COCC1(C(=O)[O-])CN(CC2CCCCC2(F)F)CCO1	REAL300010106260	1	43	-1.0	-54.33	326.57	5.63	-48.70
COCC1(C(=O)[O-])CN(CC2=CC=C(C3CC3)C=C2)CCO1	REAL300010106261	0	44	-1.0	-51.56	339.46	6.60	-44.96
COCC1(C(=O)[O-])CN(CC2=CC(Br)=CN=C2OC)CCO1	REAL300010106264	0	40	-1.0	-53.88	342.03	2.21	-51.67
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=C(F)C=C2)CCO1	REAL300010106265	0	43	-1.0	-61.53	353.22	6.03	-55.50
CNS(=O)(=O)C1=CC=C(CN2CCOC(COC)(C(=O)[O-])C2)C=C1	REAL300010106266	0	45	-1.0	-62.38	367.85	0.90	-61.48
COCC1(C(=O)[O-])CN(CCOC2=CC=CC=C2OC)CCO1	REAL300010106267	0	45	-1.0	-62.70	353.13	4.47	-58.23
COCC1(C(=O)[O-])CN(CC2=CN=CC(Cl)=C2)CCO1	REAL300010106270	0	36	-1.0	-50.12	307.19	3.94	-46.18
CCOC(=O)N1CCN(C(=O)C(C)N2CCOC(COC)(C(=O)[O-])C2)CC1	REAL300010106271	0	55	-1.0	-66.11	412.47	3.76	-62.35
COCC1(C(=O)[O-])CN(CCC2=NN(C(C)(C)C)N=N2)CCO1	REAL300010106272	0	47	-1.0	-57.35	370.10	3.72	-53.63
COCC1(C(=O)[O-])CN(CC2=C(Cl)OC3=CC=CC=C32)CCO1	REAL300010106273	0	40	-1.0	-54.73	331.98	5.74	-48.99
COCC1(C(=O)[O-])CN(CC2=CC(OC)=C(C)C=N2)CCO1	REAL300010106274	0	43	-1.0	-52.28	336.28	2.98	-49.30
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(C)C)=C2)CCO1	REAL300010106275	0	46	-1.0	-51.02	355.77	7.03	-43.99
COCC1(C(=O)[O-])CN(CC2=C(Br)SC=N2)CCO1	REAL300010106277	0	33	-1.0	-54.57	293.44	2.31	-52.26
COCC1(C(=O)[O-])CN(CCS(=O)(=O)C2CCCCC2)CCO1	REAL300010106278	0	49	-1.0	-56.22	376.57	2.83	-53.39
COCC1(C(=O)[O-])CN(CC2=CSC(Cl)=N2)CCO1	REAL300010106279	0	33	-1.0	-49.93	295.89	2.63	-47.30
COCC1(C(=O)[O-])CN(CC(OC)C2=CC=CC=C2)CCO1	REAL300010106280	0	44	-1.0	-54.48	336.64	4.20	-50.28
COCC1(C(=O)[O-])CN(CC2=CC=NC=C2Br)CCO1	REAL300010106281	0	36	-1.0	-53.67	309.10	3.63	-50.04
COCC1(C(=O)[O-])CN(CC(=O)NCC(C)(C)C)CCO1	REAL300010106282	0	46	-1.0	-65.31	352.49	2.95	-62.36
CCCN(CC(F)(F)F)C(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106283	0	46	-1.0	-55.26	369.36	4.85	-50.41
COCC1(C(=O)[O-])CN(CC2=COC(C3=CC=CC=C3F)=N2)CCO1	REAL300010106284	0	43	-1.0	-59.32	354.39	4.05	-55.27
COCC1(C(=O)[O-])CN(CC2=NOC(C3CCC3)=N2)CCO1	REAL300010106285	0	42	-1.0	-51.85	336.72	2.84	-49.01
COCC1(C(=O)[O-])CN(CC2=CC(O)=CC=C2Cl)CCO1	REAL300010106286	0	38	-1.0	-54.88	321.57	2.71	-52.17
COCC1(C(=O)[O-])CN(CC2=CN=C(C(=O)OC)C=N2)CCO1	REAL300010106287	0	41	-1.0	-51.93	339.58	2.07	-49.86
COCC1(C(=O)[O-])CN(CC2=COC(C3=CC=CC(OC)=C3)=N2)CCO1	REAL300010106288	0	47	-1.0	-55.19	380.54	2.95	-52.24
COCC1(C(=O)[O-])CN(C(C)C2=NC(C(=O)OC)=CO2)CCO1	REAL300010106289	0	42	-1.0	-52.85	340.27	0.58	-52.27
COCC1(C(=O)[O-])CN(CCOC2CCOCC2)CCO1	REAL300010106290	0	45	-1.0	-53.25	338.40	2.56	-50.69
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC(OC)=C2)CCO1	REAL300010106291	0	47	-1.0	-55.37	365.13	4.43	-50.94
COCC1(C(=O)[O-])CN(C2CCN(C3CCC3)C2=O)CCO1	REAL300010106292	0	45	-1.0	-60.60	337.12	3.73	-56.87
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=CC=N2)CCO1	REAL300010106293	0	40	-1.0	-73.68	325.19	3.31	-70.37
COCC1(C(=O)[O-])CN(CC2=CC=C(C)C(Cl)=N2)CCO1	REAL300010106294	0	39	-1.0	-51.60	324.65	4.33	-47.27
COCC1(C(=O)[O-])CN(CC2=C(C)C=C(C)N=C2C)CCO1	REAL300010106295	0	45	-1.0	-54.87	341.39	4.85	-50.02
CCN(CC(F)(F)F)C(=O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106296	0	43	-1.0	-54.81	349.59	4.14	-50.67
COCC1(C(=O)[O-])CN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCO1	REAL300010106298	0	52	-1.0	-75.05	412.26	-0.13	-75.18
COCC1(C(=O)[O-])CN(C(C)C(=O)N[C@H](C)C2=CC=CC=C2)CCO1	REAL300010106299	0	50	-1.0	-62.65	390.41	4.88	-57.77
COCC1(C(=O)[O-])CN(CC2=NC(CC3CC3)=NO2)CCO1	REAL300010106300	0	42	-1.0	-49.99	341.67	3.37	-46.62
COCC1(C(=O)[O-])CN(CC2=C(Br)C=NN2C)CCO1	REAL300010106301	0	37	-1.0	-51.73	304.03	2.36	-49.37
COCC1(C(=O)[O-])CN(CC2=CC=C3OC(=O)N(C)C3=C2)CCO1	REAL300010106302	0	43	-1.0	-59.83	344.88	4.87	-54.96
COCC1(C(=O)[O-])CN(CC2=COC(C3=CC=CC=C3OC)=N2)CCO1	REAL300010106303	0	47	-1.0	-60.69	377.14	3.89	-56.80
COCC1(C(=O)[O-])CN(CC2=CC=C(C)C(C#N)=C2)CCO1	REAL300010106304	0	41	-1.0	-53.93	335.53	6.18	-47.75
COCC1(C(=O)[O-])CN(CC2=CC=C(Br)C(F)=C2F)CCO1	REAL300010106305	0	37	-1.0	-58.66	327.14	5.55	-53.11
COCC1(C(=O)[O-])CN(CC2=NC=C(Br)C=C2F)CCO1	REAL300010106306	0	36	-1.0	-53.58	311.84	3.86	-49.72
COCC1(C(=O)[O-])CN(CC2=NC(C3CCC3)=NO2)CCO1	REAL300010106307	0	42	-1.0	-50.12	336.60	3.13	-46.99
COCC1(C(=O)[O-])CN(C2CCN(C3=CC=C(Cl)C=C3F)C2=O)CCO1	REAL300010106308	0	45	-1.0	-63.47	376.72	5.78	-57.69
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=CC(Cl)=C2F)CCO1	REAL300010106309	0	37	-1.0	-49.66	324.72	5.39	-44.27
COCC1(C(=O)[O-])CN(CC2=CC=CC3=C2CCOC3)CCO1	REAL300010106310	1	45	-1.0	-55.08	344.41	4.78	-50.30
COCC1(C(=O)[O-])CN(CC2=CC(C(=O)OC)=NO2)CCO1	REAL300010106311	0	39	-1.0	-59.22	325.49	3.22	-56.00
COCC1(C(=O)[O-])CN(CC2=CN(C)N=C2Br)CCO1	REAL300010106312	0	37	-1.0	-58.77	319.85	3.20	-55.57
CCC(C(=O)NC1=CC=C(C)C=C1)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106313	0	50	-1.0	-64.57	382.10	5.95	-58.62
CCC(C(=O)N(C)C1=CC=C(C)C=C1)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106314	0	53	-1.0	-64.07	392.23	7.00	-57.07
CCOC(=O)C1=NC=C(CN2CCOC(COC)(C(=O)[O-])C2)S1	REAL300010106315	0	42	-1.0	-52.81	357.01	3.72	-49.09
COCC1(C(=O)[O-])CN(CC2CCC(C)(C)CO2)CCO1	REAL300010106316	1	47	-1.0	-52.62	340.82	4.20	-48.42
COCC1(C(=O)[O-])CN(CCC2=CC=CC3=C2OC(F)(F)O3)CCO1	REAL300010106317	0	43	-1.0	-60.95	353.80	4.74	-56.21
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=C(C#N)C=C2)CCO1	REAL300010106318	0	44	-1.0	-58.23	368.57	6.60	-51.63
COCC1(C(=O)[O-])CN(CC2=C(Cl)C=NC=C2Cl)CCO1	REAL300010106319	0	36	-1.0	-52.41	304.54	3.36	-49.05
COCC1(C(=O)[O-])CN(C(C)C(=O)NC2=C(C)C=CC=C2Cl)CCO1	REAL300010106320	0	47	-1.0	-68.09	380.27	5.51	-62.58
COCC1(C(=O)[O-])CN(CC2=CC=C(C)C([N+](=O)[O-])=C2)CCO1	REAL300010106321	0	42	-1.0	-53.03	334.42	5.68	-47.35
COCC1(C(=O)[O-])CN(CCOC2=CC=C(C=CC(=O)OC)C=C2)CCO1	REAL300010106322	0	51	-1.0	-57.47	405.67	6.65	-50.82
COCC1(C(=O)[O-])CN(CC2=CC(C(=O)OC)=CC=C2OC)CCO1	REAL300010106323	0	47	-1.0	-56.09	377.77	4.86	-51.23
COCC1(C(=O)[O-])CN(CC2=CSC(C3=NN(C)C=C3)=N2)CCO1	REAL300010106324	0	43	-1.0	-59.72	361.25	3.27	-56.45
COCC1(C(=O)[O-])CN(CC2=NN=C3C(=O)N(C)C=CN23)CCO1	REAL300010106325	0	42	-1.0	-59.82	342.51	3.85	-55.97
COCC1(C(=O)[O-])CN(CC2=C(C)N=C(C3=CC=CC=C3)O2)CCO1	REAL300010106326	0	46	-1.0	-53.46	367.24	4.26	-49.20
COCC1(C(=O)[O-])CN(CC2=CC=C3OC(F)(F)OC3=C2)CCO1	REAL300010106327	0	40	-1.0	-51.31	335.14	4.40	-46.91
COCC1(C(=O)[O-])CN(CC2=NSC3=CC=CC=C32)CCO1	REAL300010106328	0	39	-1.0	-51.95	318.08	4.41	-47.54
COCC1(C(=O)[O-])CN(CC2=COC(C3=CC=CC(C#N)=C3)=N2)CCO1	REAL300010106329	0	44	-1.0	-55.19	371.88	4.05	-51.14
COCC1(C(=O)[O-])CN(CC2=NN=C3C(=O)NC=CN23)CCO1	REAL300010106330	0	39	-1.0	-59.03	321.71	1.98	-57.05
CCCC1=NC(C)=C(CN2CCOC(COC)(C(=O)[O-])C2)O1	REAL300010106331	0	45	-1.0	-50.98	347.08	2.04	-48.94
COCC1(C(=O)[O-])CN(C2CCN(C(=O)OC(C)(C)C)C2)CCO1	REAL300010106332	0	51	-1.0	-53.57	385.69	4.45	-49.12
COCC1(C(=O)[O-])CN(CC2=NC3=CC(Cl)=CC=C3C=C2)CCO1	REAL300010106334	0	42	-1.0	-52.92	352.03	5.96	-46.96
COCC1(C(=O)[O-])CN(CC2=NC(C)=C(Br)S2)CCO1	REAL300010106335	0	36	-1.0	-49.26	323.35	3.94	-45.32
COCC1(C(=O)[O-])CN(CC2=CC=C(Br)C=C2C)CCO1	REAL300010106336	0	40	-1.0	-49.97	320.97	5.34	-44.63
COCC1(C(=O)[O-])CN(CCCOC(F)(F)F)CCO1	REAL300010106337	0	37	-1.0	-50.67	305.31	2.04	-48.63
COCC1(C(=O)[O-])CN(CC2CCC(C3=CC=CC=C3)O2)CCO1	REAL300010106338	1	48	-1.0	-54.35	371.98	6.14	-48.21
COCC1(C(=O)[O-])CN(CCCCS(C)(=O)=O)CCO1	REAL300010106339	0	42	-1.0	-62.36	338.43	0.73	-61.63
COCC1(C(=O)[O-])CN(CC2CCC3(CCOCC3)O2)CCO1	REAL300010106340	1	49	-1.0	-60.81	357.72	3.31	-57.50
COCC1(C(=O)[O-])CN(CC2CCCC(C)(C)O2)CCO1	REAL300010106341	1	47	-1.0	-57.03	345.25	4.27	-52.76
COCC1(C(=O)[O-])CN(CC2CCCC(C3=CC=CC=C3)O2)CCO1	REAL300010106342	1	51	-1.0	-54.56	385.17	6.92	-47.64
COCC1(C(=O)[O-])CN(CC2CCC3(CCOCC3)CO2)CCO1	REAL300010106343	1	52	-1.0	-53.40	374.74	3.69	-49.71
COCC1(C(=O)[O-])CN(CCC2=CC=CC=C2Br)CCO1	REAL300010106344	0	40	-1.0	-53.61	329.30	5.86	-47.75
COCC1(C(=O)[O-])CN(CC2=NC(C3=CC=CC=C3)=CS2)CCO1	REAL300010106345	0	43	-1.0	-59.30	356.66	5.57	-53.73
COCC1(C(=O)[O-])CN(CC2CCC3(CCCC3)O2)CCO1	REAL300010106346	1	48	-1.0	-53.10	357.14	4.94	-48.16
COCC1(C(=O)[O-])CN(CCC2CCCC2(F)F)CCO1	REAL300010106347	1	43	-1.0	-53.93	325.92	5.05	-48.88
COCC1(C(=O)[O-])CN(CCCS(=O)(=O)C(C)(C)C)CCO1	REAL300010106348	0	48	-1.0	-67.34	373.19	2.17	-65.17
COCC1(C(=O)[O-])CN(CC2=C(Cl)N=CS2)CCO1	REAL300010106349	0	33	-1.0	-51.87	292.54	2.74	-49.13
COCC1(C(=O)[O-])CN(CC2=CC([N+](=O)[O-])=CC=C2OC)CCO1	REAL300010106350	0	43	-1.0	-53.49	351.30	4.86	-48.63
COCC1(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=CO2)CCO1	REAL300010106351	0	37	-1.0	-50.41	313.84	3.86	-46.55
COCC1(C(=O)[O-])CN(CC2=CC=CC3=NC=CC=C23)CCO1	REAL300010106352	1	42	-1.0	-53.31	321.77	4.44	-48.87
COCC1(C(=O)[O-])CN(CC2=NC3=C(CCCC3)O2)CCO1	REAL300010106354	0	43	-1.0	-57.74	333.97	2.29	-55.45
COCC1(C(=O)[O-])CN(CC2CC3C(C2)C3(F)F)CCO1	REAL300010106355	1	41	-1.0	-51.81	322.75	5.64	-46.17
COCC1(C(=O)[O-])CN(CC2=C(C)C=C(C#N)C=C2C)CCO1	REAL300010106356	0	44	-1.0	-51.90	345.07	6.11	-45.79
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=CC3=CC=CC=C32)CCO1	REAL300010106357	0	43	-1.0	-54.47	344.38	7.24	-47.23
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=CC(C#N)=C2)CCO1	REAL300010106358	0	38	-1.0	-51.88	333.10	6.18	-45.70
COCC1(C(=O)[O-])CN(CC2CCC3(CCC3)CO2)CCO1	REAL300010106360	1	48	-1.0	-52.72	348.93	4.77	-47.95
COCC1(C(=O)[O-])CN(CCSC(F)(F)F)CCO1	REAL300010106361	0	34	-1.0	-51.29	297.24	3.69	-47.60
COCC1(C(=O)[O-])CN(CC2=CC3=CC=CC=C3C(Br)=C2)CCO1	REAL300010106362	0	43	-1.0	-51.92	360.00	8.06	-43.86
COCC1(C(=O)[O-])CN(CC2CCC(C(F)(F)F)O2)CCO1	REAL300010106363	0	41	-1.0	-61.13	332.43	3.49	-57.64
COCC1(C(=O)[O-])CN(C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCO1	REAL300010106364	1	44	-1.0	-54.76	352.15	7.25	-47.51
COCC1(C(=O)[O-])CN(CC2=CC=CN=C2[N+](=O)[O-])CCO1	REAL300010106365	0	38	-1.0	-55.58	304.08	4.28	-51.30
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2CC(C)C)CCO1	REAL300010106366	1	49	-1.0	-51.57	360.33	6.70	-44.87
COCC1(C(=O)[O-])CN(CC2=C(F)C=CC(C)=C2F)CCO1	REAL300010106368	0	40	-1.0	-54.54	316.81	5.02	-49.52
CCSC1=CC=CC=C1CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106369	0	44	-1.0	-55.03	342.68	5.91	-49.12
COCC1(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2Br)CCO1	REAL300010106370	0	37	-1.0	-55.45	327.92	5.81	-49.64
COCC1(C(=O)[O-])CN(CC2=CC3=C(C=C2Br)OCO3)CCO1	REAL300010106371	0	40	-1.0	-52.45	327.56	3.40	-49.05
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2F)CCO1	REAL300010106372	0	45	-1.0	-59.32	362.60	2.28	-57.04
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC(C)=C2)CCO1	REAL300010106373	0	48	-1.0	-59.87	378.27	2.87	-57.00
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2C)CCO1	REAL300010106374	0	48	-1.0	-55.93	376.46	2.95	-52.98
COCC1(C(=O)[O-])CN(CC(O)COC2=C(C)C=CC=C2C)CCO1	REAL300010106375	0	51	-1.0	-58.93	398.61	3.72	-55.21
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(C#N)C=C2)CCO1	REAL300010106376	0	46	-1.0	-57.18	377.19	2.62	-54.56
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(Cl)C=C2Cl)CCO1	REAL300010106377	0	45	-1.0	-61.29	390.61	3.48	-57.81
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC3=CC=CC=C32)CCO1	REAL300010106378	0	51	-1.0	-62.57	402.69	4.76	-57.81
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300010106379	0	47	-1.0	-61.71	385.85	2.96	-58.75
COCC1(C(=O)[O-])CN(CC(O)COCC2=CC=CC=C2)CCO1	REAL300010106380	1	48	-1.0	-60.00	382.42	2.67	-57.33
COCC1(C(=O)[O-])CN(CC(O)COC2=C(C)C=CC(C)=C2C)CCO1	REAL300010106381	0	54	-1.0	-59.97	416.46	4.49	-55.48
CCOC1=CC=C(OCC(O)CN2CCOC(COC)(C(=O)[O-])C2)C=C1	REAL300010106382	0	52	-1.0	-56.47	407.73	2.41	-54.06
COCC1(C(=O)[O-])CN(CC(O)COC2=CC(Cl)=CC=C2Cl)CCO1	REAL300010106383	0	45	-1.0	-60.06	390.41	3.52	-56.54
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(C(C)(C)C)C=C2C)CCO1	REAL300010106384	0	60	-1.0	-59.96	454.09	5.50	-54.46
COCC1(C(=O)[O-])CN(CC(O)COC2CCCC3=CC=CC=C32)CCO1	REAL300010106385	0	55	-1.0	-62.63	417.01	4.79	-57.84
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300010106386	0	47	-1.0	-66.07	382.40	3.60	-62.47
COCC1(C(=O)[O-])CN(CC(O)COC2=CC(C)=CC(C)=C2)CCO1	REAL300010106387	0	51	-1.0	-57.32	400.46	3.62	-53.70
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(F)C=C2)CCO1	REAL300010106388	0	45	-1.0	-55.28	362.79	2.27	-53.01
COCC1(C(=O)[O-])CN(CC(O)COCC(C)C)CCO1	REAL300010106389	1	47	-1.0	-58.04	364.11	1.12	-56.92
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2Cl)CCO1	REAL300010106390	0	45	-1.0	-57.64	372.41	2.75	-54.89
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(Cl)C=C2)CCO1	REAL300010106391	0	45	-1.0	-54.91	373.11	2.72	-52.19
COCC1(C(=O)[O-])CN(CC(O)COC2=CC(C)=CC=C2C)CCO1	REAL300010106392	0	51	-1.0	-60.31	399.13	3.85	-56.46
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(C)C=C2C)CCO1	REAL300010106393	0	51	-1.0	-60.34	399.33	3.84	-56.50
C=CCC1=CC=C(OCC(O)CN2CCOC(COC)(C(=O)[O-])C2)C(OC)=C1	REAL300010106394	0	56	-1.0	-64.26	442.59	4.35	-59.91
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(F)C=C2)CCO1	REAL300010106395	0	41	-1.0	-56.21	325.60	2.91	-53.30
CCCCOCC(O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106397	1	47	-1.0	-58.16	365.50	1.20	-56.96
COCC1(C(=O)[O-])CN(CC(O)CC2=CC=CC=C2)CCO1	REAL300010106398	1	44	-1.0	-58.66	342.90	3.49	-55.17
CCCCCCC(O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106399	1	49	-1.0	-55.10	373.79	3.30	-51.80
COCC1(C(=O)[O-])CN(CC(C)(O)C2=CC=CC=C2)CCO1	REAL300010106400	1	44	-1.0	-52.49	339.54	4.20	-48.29
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=C(NC(C)=O)C=C2)CCO1	REAL300010106401	0	52	-1.0	-63.36	412.76	1.08	-62.28
COCC1(C(=O)[O-])CN(CC(O)C2=CC=CC(Br)=C2)CCO1	REAL300010106402	0	41	-1.0	-53.74	344.75	3.15	-50.59
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(C#N)C=C2)CCO1	REAL300010106403	0	42	-1.0	-56.45	345.35	3.18	-53.27
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(F)C(F)=C2)CCO1	REAL300010106404	0	41	-1.0	-55.33	337.22	2.90	-52.43
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(F)C=C2F)CCO1	REAL300010106405	0	41	-1.0	-55.17	336.10	2.95	-52.22
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2C#N)CCO1	REAL300010106406	0	46	-1.0	-62.77	376.62	2.62	-60.15
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2C(F)(F)F)CCO1	REAL300010106407	0	48	-1.0	-59.47	393.85	3.29	-56.18
COCC1(C(=O)[O-])CN(CC(O)CN2CCCC2=O)CCO1	REAL300010106408	0	45	-1.0	-68.27	352.53	0.76	-67.51
COCC1(C(=O)[O-])CN(CC(O)C2=CC=CC=C2C(F)(F)F)CCO1	REAL300010106409	0	44	-1.0	-54.63	352.67	3.73	-50.90
COCC1(C(=O)[O-])CN(CC(O)COC2=C(OC)C=CC=C2OC)CCO1	REAL300010106410	0	53	-1.0	-62.40	420.05	2.10	-60.30
COCC1(C(=O)[O-])CN(CC(O)C2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300010106411	0	43	-1.0	-55.55	351.68	3.20	-52.35
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(C)C=C2)CCO1	REAL300010106412	0	44	-1.0	-56.55	346.14	3.48	-53.07
COCC1(C(=O)[O-])CN(CC(O)C2=CC(C)=CC(C)=C2)CCO1	REAL300010106413	0	47	-1.0	-57.15	362.02	4.16	-52.99
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(Cl)C=C2Cl)CCO1	REAL300010106414	0	41	-1.0	-54.32	354.72	3.76	-50.56
COCC1(C(=O)[O-])CN(CC(O)CCC2=CC=CC=C2)CCO1	REAL300010106415	1	47	-1.0	-54.33	369.98	4.08	-50.25
COCC1(C(=O)[O-])CN(CC(C)(O)C2=CC=C(S(C)(=O)=O)C=C2)CCO1	REAL300010106416	0	50	-1.0	-60.86	400.25	1.72	-59.14
COCC(C)OCC(O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106417	0	48	-1.0	-57.95	375.87	-0.08	-58.03
COCC1(C(=O)[O-])CN(CC(O)COC2CCOCC2)CCO1	REAL300010106418	0	49	-1.0	-56.78	376.38	0.00	-56.78
COCCOCC(O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106420	1	45	-1.0	-61.22	356.14	-1.02	-62.24
COCC1(C(=O)[O-])CN(CC(O)COC2=CC(C)=CC=C2Cl)CCO1	REAL300010106421	0	48	-1.0	-62.47	395.09	3.65	-58.82
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(F)C=C2Cl)CCO1	REAL300010106422	0	41	-1.0	-54.39	344.40	3.33	-51.06
COCC1(C(=O)[O-])CN(CC(C)(O)C(F)(F)F)CCO1	REAL300010106423	0	37	-1.0	-50.38	295.61	1.16	-49.22
COCC1(C(=O)[O-])CN(CC(O)CC2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300010106424	1	47	-1.0	-59.04	381.63	4.49	-54.55
COCC1(C(=O)[O-])CN(CC(O)CC2CCCC2)CCO1	REAL300010106425	1	47	-1.0	-54.67	350.00	3.07	-51.60
COCC1(C(=O)[O-])CN(CC(O)CC2=CC3=CC=CC=C3C=C2)CCO1	REAL300010106426	1	50	-1.0	-56.77	394.50	5.55	-51.22
COCC1(C(=O)[O-])CN(CC(O)CCOC(C)C)CCO1	REAL300010106427	1	47	-1.0	-53.70	364.38	1.06	-52.64
COCC1(C(=O)[O-])CN(CC2=CC(OC)=NS2)CCO1	REAL300010106428	0	37	-1.0	-50.43	308.39	0.49	-49.94
COCC1(C(=O)[O-])CN(CC(O)CC(C)(O)C2CC2)CCO1	REAL300010106429	0	48	-1.0	-59.31	356.15	1.25	-58.06
COCC1(C(=O)[O-])CN(CC2=NN(C)C(C(F)(F)F)=C2)CCO1	REAL300010106430	0	40	-1.0	-50.92	333.42	3.16	-47.76
COCC1(C(=O)[O-])CN(CCOCCN2C(=O)C3=CC=CC=C3C2=O)CCO1	REAL300010106431	0	51	-1.0	-69.03	415.47	4.63	-64.40
COCC1(C(=O)[O-])CN(CC2=CC(=O)N3C=C(C)SC3=N2)CCO1	REAL300010106432	0	42	-1.0	-56.52	356.49	5.17	-51.35
COCC1(C(=O)[O-])CN(CC2=CN=CC(C(=O)OC)=C2)CCO1	REAL300010106433	0	42	-1.0	-53.93	345.41	4.09	-49.84
COCC1(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=NN2C)CCO1	REAL300010106434	0	40	-1.0	-53.63	329.94	3.32	-50.31
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300010106435	0	40	-1.0	-50.77	329.22	5.50	-45.27
COCC1(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=NN2C)CCO1	REAL300010106436	0	40	-1.0	-53.63	329.94	3.32	-50.31
COCC1(C(=O)[O-])CN(CC2=CC=C(N3CCOCC3)C=C2)CCO1	REAL300010106437	1	50	-1.0	-52.77	374.19	3.32	-49.45
COCC1(C(=O)[O-])CN(CC2CC3COCC3O2)CCO1	REAL300010106438	0	43	-1.0	-56.03	320.84	1.59	-54.44
COCC1(C(=O)[O-])CN(CCS(=O)(=O)N(C)C)CCO1	REAL300010106439	0	41	-1.0	-57.86	328.86	-0.24	-58.10
COCC1(C(=O)[O-])CN(CCCCC2(C#N)CCC2)CCO1	REAL300010106440	1	47	-1.0	-57.26	363.04	6.23	-51.03
CCOC1=CC=CC=C1OCCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106441	0	48	-1.0	-63.32	374.99	5.39	-57.93
CCOC(=O)C(CCC1=CC=CC=C1)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106442	0	52	-1.0	-62.58	405.74	8.48	-54.10
COCC1(C(=O)[O-])CN(CCOC2=CC=C(F)C(Cl)=C2)CCO1	REAL300010106443	0	41	-1.0	-54.46	342.25	5.31	-49.15
COCC1(C(=O)[O-])CN(CC2COC3=CC=CC=C3O2)CCO1	REAL300010106444	0	43	-1.0	-61.62	340.11	4.31	-57.31
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC(C#N)=C2)CCO1	REAL300010106445	0	38	-1.0	-52.11	322.78	5.74	-46.37
COCC1(C(=O)[O-])CN(CC2=CC=CC(C)=C2Br)CCO1	REAL300010106446	0	40	-1.0	-54.38	331.31	5.93	-48.45
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2C)CCO1	REAL300010106447	0	40	-1.0	-50.05	316.41	5.24	-44.81
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2C(C)C)CCO1	REAL300010106448	1	46	-1.0	-51.74	335.44	5.80	-45.94
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)OC)C3=CC=CN=C23)CCO1	REAL300010106449	0	48	-1.0	-58.50	375.96	5.98	-52.52
COCC1(C(=O)[O-])CN(CC2=CC([N+](=O)[O-])=CC=C2Br)CCO1	REAL300010106450	0	39	-1.0	-49.97	341.90	6.27	-43.70
COCC1(C(=O)[O-])CN(CC2=NC(C)=C(C(C)(C)C)S2)CCO1	REAL300010106452	0	48	-1.0	-56.44	370.00	4.84	-51.60
COCC1(C(=O)[O-])CN(CC2=NC3=C(S2)C(C)(C)CC(C)(C)C3)CCO1	REAL300010106453	0	55	-1.0	-52.55	417.46	6.78	-45.77
COCC1(C(=O)[O-])CN(CC2=COC(C(C)(C)C)=N2)CCO1	REAL300010106454	0	45	-1.0	-52.66	353.60	2.46	-50.20
COCC1(C(=O)[O-])C[N@H+](CCC2(C(=O)[O-])CCC2)CCO1	REAL300010106455	0	43	-1.0	-84.05	332.11	7.47	-76.58
COCC1(C(=O)[O-])C[N@@H+](CCC2(C(=O)[O-])CCC2)CCO1	REAL300010106455	1	43	-1.0	-83.76	329.79	7.27	-76.49
COCC1(C(=O)[O-])CN(C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)CCO1	REAL300010106456	0	48	-1.0	-50.23	381.46	6.70	-43.53
COCC1(C(=O)[O-])CN(CC2=CC=C(N(C)C)C(C)=C2)CCO1	REAL300010106457	1	48	-1.0	-51.22	364.84	5.13	-46.09
COCC1(C(=O)[O-])CN(CC2=C(C(F)F)N(C)N=N2)CCO1	REAL300010106458	0	39	-1.0	-55.83	319.96	2.29	-53.54
COCC1(C(=O)[O-])CN(CC2=CC=NN2C2CCCC2)CCO1	REAL300010106459	0	47	-1.0	-52.74	350.65	5.07	-47.67
COCC1(C(=O)[O-])CN(CCSC2=CC=C(F)C=C2F)CCO1	REAL300010106460	0	41	-1.0	-50.59	346.68	6.30	-44.29
COCC1(C(=O)[O-])CN(CC2COC3=CC=CC=C32)CCO1	REAL300010106461	1	42	-1.0	-54.87	329.53	4.68	-50.19
COCC1(C(=O)[O-])CN(CCC2=CC=CC=C2Br)CCO1	REAL300010106462	0	40	-1.0	-53.61	329.30	5.86	-47.75
COCC1(C(=O)[O-])CN(CC2=CC=NN2CC(F)F)CCO1	REAL300010106463	0	40	-1.0	-58.52	321.92	3.48	-55.04
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C(C)=C2)CCO1	REAL300010106465	0	40	-1.0	-50.35	325.71	5.60	-44.75
COCC1(C(=O)[O-])CN(CC(=O)NC(=O)NC2=CC(C)=CC=C2C)CCO1	REAL300010106466	0	51	-1.0	-73.99	403.73	5.04	-68.95
COCC1(C(=O)[O-])CN(CCC2=CC=C3OCCC3=C2)CCO1	REAL300010106467	1	45	-1.0	-53.18	351.61	5.56	-47.62
C=CCC1=CC(C)=C(OCCCN2CCOC(COC)(C(=O)[O-])C2)C=C1C	REAL300010106468	1	57	-1.0	-56.78	436.09	8.47	-48.31
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(F)(F)F)=N2)CCO1	REAL300010106469	0	39	-1.0	-55.66	330.81	4.47	-51.19
COCC1(C(=O)[O-])C[N@H+](CCC2(C(=O)[O-])CCOC2)CCO1	REAL300010106470	0	44	-1.0	-64.64	336.57	5.17	-59.47
COCC1(C(=O)[O-])C[N@@H+](CCC2(C(=O)[O-])CCOC2)CCO1	REAL300010106470	1	44	-1.0	-86.52	336.61	5.26	-81.26
COCC1(C(=O)[O-])CN(CC2=CC(C)=NN=C2C2CC2)CCO1	REAL300010106471	0	45	-1.0	-52.44	342.02	3.92	-48.52
COCC1(C(=O)[O-])CN(C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)CCO1	REAL300010106472	0	48	-1.0	-58.15	375.10	0.46	-57.69
COCC1(C(=O)[O-])CN(C(C)C2=CC=CC(OC(F)(F)F)=C2)CCO1	REAL300010106473	0	44	-1.0	-49.89	358.12	5.69	-44.20
COCC1(C(=O)[O-])CN(CC2CCS(=O)(=O)N2C)CCO1	REAL300010106474	0	42	-1.0	-56.65	324.13	-0.49	-57.14
COCC1(C(=O)[O-])CN(CCC2CCCC2(F)F)CCO1	REAL300010106475	1	43	-1.0	-53.93	325.92	5.05	-48.88
CCC(C1=CC=C(C(F)(F)F)C=C1)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106476	1	46	-1.0	-53.23	354.19	7.18	-46.05
COCC1(C(=O)[O-])CN(CC2CCCC(C(F)(F)F)O2)CCO1	REAL300010106477	0	44	-1.0	-53.87	349.43	4.28	-49.59
COCC1(C(=O)[O-])CN(CC2=CN(CCF)N=C2)CCO1	REAL300010106478	0	40	-1.0	-52.99	327.06	4.07	-48.92
CCOC(=O)[C@@H]1C[C@H]1CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106479	0	43	-1.0	-54.96	342.14	4.83	-50.13
COCC1(C(=O)[O-])CN(CCOC2CCSCC2)CCO1	REAL300010106480	0	45	-1.0	-52.55	346.85	4.64	-47.91
COCC1(C(=O)[O-])CN(CC2=C(Br)C=CC=C2[N+](=O)[O-])CCO1	REAL300010106481	0	39	-1.0	-63.07	330.64	6.29	-56.78
COCC1(C(=O)[O-])CN(CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)CCO1	REAL300010106482	0	50	-1.0	-54.99	403.19	6.12	-48.87
COCC1(C(=O)[O-])CN(CC2=NC=C(Br)S2)CCO1	REAL300010106483	0	33	-1.0	-53.24	300.00	2.68	-50.56
COCC1(C(=O)[O-])CN(CC2=C3COCCC3=NN2)CCO1	REAL300010106484	0	42	-1.0	-52.87	329.61	1.23	-51.64
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(F)(F)F)=N2)CCO1	REAL300010106485	0	39	-1.0	-55.66	330.81	4.47	-51.19
COCC1(C(=O)[O-])CN(CCN2CCCS2(=O)=O)CCO1	REAL300010106486	0	42	-1.0	-59.92	337.97	0.25	-59.67
COCC1(C(=O)[O-])CN(CC2=NC(C)=CC(OC)=N2)CCO1	REAL300010106487	0	42	-1.0	-53.23	336.11	1.10	-52.13
COCC1(C(=O)[O-])CN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CCO1	REAL300010106488	0	50	-1.0	-60.44	404.22	3.89	-56.55
COCC1(C(=O)[O-])CN(CC2=NN=NN2C2=CC=C(C)C=C2)CCO1	REAL300010106489	0	45	-1.0	-58.47	361.37	4.37	-54.10
COCC1(C(=O)[O-])CN(CC2=CC=C(N3C=CC=N3)N=C2)CCO1	REAL300010106490	0	43	-1.0	-54.36	351.19	5.79	-48.57
COCC1(C(=O)[O-])CN(CC2=C(Br)N=NN2C)CCO1	REAL300010106491	0	36	-1.0	-50.58	305.69	1.41	-49.17
CCOC1=CC=C(CN2CCOC(COC)(C(=O)[O-])C2)C=C1F	REAL300010106492	0	44	-1.0	-54.20	347.72	4.79	-49.41
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC(Cl)=C2)CCO1	REAL300010106493	0	45	-1.0	-59.84	373.60	2.71	-57.13
COCC1(C(=O)[O-])CN(CCC(=O)NC2=CC=CC=N2)CCO1	REAL300010106494	1	43	-1.0	-58.54	343.97	3.58	-54.96
COCC1(C(=O)[O-])CN(CCOC2CCS(=O)(=O)CC2)CCO1	REAL300010106495	0	47	-1.0	-59.18	365.67	0.98	-58.20
COCC1(C(=O)[O-])CN(C(C)C2=CC=C(C)C(C)=C2)CCO1	REAL300010106496	1	46	-1.0	-54.87	350.53	7.11	-47.76
CCOCC1=NC(CN2CCOC(COC)(C(=O)[O-])C2)=CS1	REAL300010106497	0	43	-1.0	-53.73	356.27	2.84	-50.89
COCC1(C(=O)[O-])CN(C2CCCN(C3=CC=C(F)C=C3)C2=O)CCO1	REAL300010106498	0	48	-1.0	-53.88	375.91	6.22	-47.66
COCC1(C(=O)[O-])CN(CC2=CC=C(SC)C(Cl)=C2)CCO1	REAL300010106499	0	41	-1.0	-52.61	345.36	5.95	-46.66
CCC1=CC=C([N+](=O)[O-])C=C1CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106500	0	45	-1.0	-50.08	358.81	7.16	-42.92
COCC1(C(=O)[O-])CN(CC(O)CSC2=CC=CC=C2)CCO1	REAL300010106501	0	45	-1.0	-55.93	367.68	3.73	-52.20
COCC1(C(=O)[O-])CN(CC2OCC3CCOC32)CCO1	REAL300010106502	1	43	-1.0	-54.59	323.93	2.12	-52.47
CCOC(=O)C1=CSC(CN2CCOC(COC)(C(=O)[O-])C2)=N1	REAL300010106503	0	42	-1.0	-59.49	356.37	3.40	-56.09
COCC1(C(=O)[O-])CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1	REAL300010106504	0	52	-1.0	-61.79	382.58	3.96	-57.83
COCC1(C(=O)[O-])CN(CC2=CC(=O)NC(C3CC3)=N2)CCO1	REAL300010106506	0	43	-1.0	-56.47	341.98	3.35	-53.12
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2CC(C)C)CCO1	REAL300010106507	1	49	-1.0	-51.57	360.33	6.70	-44.87
COCC1(C(=O)[O-])CN(CCCC2=C(C)N=CS2)CCO1	REAL300010106508	0	42	-1.0	-53.08	338.67	3.95	-49.13
COCC1(C(=O)[O-])CN(CC2=CC([N+](=O)[O-])=CC=C2C)CCO1	REAL300010106509	0	42	-1.0	-50.01	340.00	6.51	-43.50
COCC1(C(=O)[O-])CN(CC2=CSC(COCC(F)F)=N2)CCO1	REAL300010106510	0	43	-1.0	-59.44	369.30	3.16	-56.28
COCC1(C(=O)[O-])CN(CC2=NC3=C(CCCC3)N2)CCO1	REAL300010106511	0	44	-1.0	-53.14	337.34	3.92	-49.22
COCC1(C(=O)[O-])CN(CCCCOC2=CC=C3CCC(=O)NC3=C2)CCO1	REAL300010106512	1	55	-1.0	-56.89	427.01	5.27	-51.62
COCC1(C(=O)[O-])CN(CC(O)CN2C=NC3=CC(C)=C(C)C=C32)CCO1	REAL300010106513	1	53	-1.0	-67.00	406.51	5.55	-61.45
COCC1(C(=O)[O-])CN(CC2=CN(C)N=C2C(F)F)CCO1	REAL300010106517	0	40	-1.0	-61.43	331.25	3.46	-57.97
COCC1(C(=O)[O-])CN(CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)CCO1	REAL300010106518	0	46	-1.0	-57.59	385.99	6.02	-51.57
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)OC)C(C)=C2)CCO1	REAL300010106519	0	46	-1.0	-52.98	361.06	5.68	-47.30
COCC1(C(=O)[O-])CN(CC2=CC=CC(Cl)=N2)CCO1	REAL300010106520	0	36	-1.0	-51.37	305.86	3.74	-47.63
COCC1(C(=O)[O-])CN(CC2CC3COCCC3O2)CCO1	REAL300010106521	0	46	-1.0	-58.30	345.31	2.38	-55.92
COCC1(C(=O)[O-])CN(C[C@@H]2C[C@H]3COC[C@H]3O2)CCO1	REAL300010106522	0	43	-1.0	-57.48	324.07	1.59	-55.89
COCC1(C(=O)[O-])CN(CC2=CC(C)=CC(Cl)=N2)CCO1	REAL300010106523	0	39	-1.0	-52.53	325.63	4.46	-48.07
COCC1(C(=O)[O-])CN(CC2CC3(CO2)CCCCC3)CCO1	REAL300010106524	1	51	-1.0	-53.28	370.77	5.34	-47.94
COCC1(C(=O)[O-])CN(CCC(C)(C)C(F)(F)F)CCO1	REAL300010106525	1	42	-1.0	-55.06	324.46	4.57	-50.49
COCC1(C(=O)[O-])CN(CCSC2CCCCC2)CCO1	REAL300010106526	1	47	-1.0	-50.83	357.89	6.31	-44.52
COCC1(C(=O)[O-])CN(CC2CCCC2C(F)(F)F)CCO1	REAL300010106527	1	43	-1.0	-56.47	338.57	6.08	-50.39
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=C(F)C=C2Cl)CCO1	REAL300010106528	0	43	-1.0	-50.15	365.44	7.06	-43.09
COCC1(C(=O)[O-])CN(CC2=CN3C=CC=C(Br)C3=N2)CCO1	REAL300010106529	0	40	-1.0	-57.37	342.69	6.16	-51.21
COCC1(C(=O)[O-])CN(CC2CCC(F)(F)CO2)CCO1	REAL300010106530	0	41	-1.0	-57.32	321.25	3.16	-54.16
COCC1(C(=O)[O-])CN(CC(OC)C2CCCOC2)CCO1	REAL300010106531	1	48	-1.0	-51.47	341.65	1.83	-49.64
COCC1(C(=O)[O-])CN(CCSC2CCOC2)CCO1	REAL300010106532	1	42	-1.0	-52.53	333.73	3.37	-49.16
COCC1(C(=O)[O-])CN(CC2=CC=C(C3(C(=O)OC)CC3)C=C2)CCO1	REAL300010106533	0	50	-1.0	-54.86	388.56	7.12	-47.74
COCC1(C(=O)[O-])CN(CCOC2(C#N)CCOCC2)CCO1	REAL300010106534	0	46	-1.0	-56.21	354.22	2.01	-54.20
COCC1(C(=O)[O-])CN(CC2=CC3=NC=CC=C3C=C2)CCO1	REAL300010106536	0	42	-1.0	-55.28	331.15	4.86	-50.42
COCC1(C(=O)[O-])CN(CC2=C(Cl)SC(C(=O)OC)=C2)CCO1	REAL300010106537	0	40	-1.0	-52.91	346.34	4.58	-48.33
COCC1(C(=O)[O-])CN(CC2=CC(Br)=CS2)CCO1	REAL300010106538	0	34	-1.0	-49.65	302.42	4.32	-45.33
COCC1(C(=O)[O-])CN(CC2(O)CCSCC2)CCO1	REAL300010106539	1	42	-1.0	-51.81	318.67	3.52	-48.29
COCC1(C(=O)[O-])CN(CC(O)COC2=CC=CC=C2OC)CCO1	REAL300010106542	0	49	-1.0	-59.59	385.62	2.13	-57.46
COCC1(C(=O)[O-])CN(CC2CCS(=O)(=O)C2)CCO1	REAL300010106543	0	40	-1.0	-59.99	321.68	1.17	-58.82
COCC1(C(=O)[O-])CN(CC(C)(O)C2=CC=C(F)C=C2)CCO1	REAL300010106544	0	44	-1.0	-52.48	345.95	4.27	-48.21
COCC1(C(=O)[O-])CN(CC2=CC(C(C)(C)C)=NO2)CCO1	REAL300010106545	0	45	-1.0	-55.20	350.99	5.11	-50.09
COCC1(C(=O)[O-])C[N@H+](CC2(O)CCC(C(=O)[O-])CC2)CCO1	REAL300010106547	0	47	-1.0	-83.70	347.53	5.53	-78.17
COCC1(C(=O)[O-])C[N@@H+](CC2(O)CCC(C(=O)[O-])CC2)CCO1	REAL300010106547	1	47	-1.0	-87.59	347.56	5.61	-81.98
COCC1(C(=O)[O-])CN(CCCC2=CC=CC(OC(F)(F)F)=C2)CCO1	REAL300010106548	1	47	-1.0	-52.69	380.71	5.99	-46.70
COCC1(C(=O)[O-])CN(CC2CCCC3(CCOC3)O2)CCO1	REAL300010106549	1	49	-1.0	-56.63	361.77	3.21	-53.42
COCC1(C(=O)[O-])CN(CC2=CN3C=CC=C(F)C3=N2)CCO1	REAL300010106550	0	40	-1.0	-58.75	327.79	5.68	-53.07
COCC1(C(=O)[O-])CN(CC2=CN=CC(C(C)(C)C)=C2)CCO1	REAL300010106551	0	48	-1.0	-53.31	364.99	5.33	-47.98
COCC1(C(=O)[O-])CN(CC2=CN=CC(C(C)(C)C)=C2)CCO1	REAL300010106552	0	48	-1.0	-53.31	364.99	5.33	-47.98
COCC1(C(=O)[O-])CN(CCOC2=CC=C3OCOC3=C2)CCO1	REAL300010106553	0	44	-1.0	-62.22	350.37	3.17	-59.05
COCC1(C(=O)[O-])CN(CC2COC3=CC=C(Br)C=C32)CCO1	REAL300010106554	0	42	-1.0	-51.40	350.45	5.45	-45.95
COCC1(C(=O)[O-])CN(CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)CCO1	REAL300010106555	0	49	-1.0	-56.63	394.39	8.38	-48.25
COCC1(C(=O)[O-])CN(CC2=NN(CCF)C=C2)CCO1	REAL300010106556	0	40	-1.0	-54.07	325.38	3.69	-50.38
CCC1=NC(CN2CCOC(COC)(C(=O)[O-])C2)=CC(=O)N1	REAL300010106557	0	42	-1.0	-57.28	330.87	2.69	-54.59
COCC1(C(=O)[O-])CN(C2CCCN(C3=CC=CC(C)=C3)C2=O)CCO1	REAL300010106558	0	51	-1.0	-64.85	390.70	6.83	-58.02
COCC1(C(=O)[O-])CN(CC(O)CCC2=CC=NC3=CC=CC=C23)CCO1	REAL300010106559	1	52	-1.0	-57.89	407.15	4.23	-53.66
COCC1(C(=O)[O-])CN(CCC2=CC=CC=C2CO)CCO1	REAL300010106560	1	44	-1.0	-53.56	339.11	2.94	-50.62
COCC1(C(=O)[O-])CN(CC2=CN=C(OC)C=C2C)CCO1	REAL300010106561	0	43	-1.0	-56.06	328.22	1.81	-54.25
COCC1(C(=O)[O-])CN(CC2=C(S(C)(=O)=O)SC=C2)CCO1	REAL300010106562	0	40	-1.0	-58.36	338.24	2.05	-56.31
CCCC1=CC=CC(CN2CCOC(COC)(C(=O)[O-])C2)=N1	REAL300010106563	0	45	-1.0	-53.91	354.85	5.66	-48.25
COCC1(C(=O)[O-])CN(CCC2=CC(F)=CC=C2Br)CCO1	REAL300010106564	0	40	-1.0	-52.00	336.79	6.17	-45.83
COCC1(C(=O)[O-])CN(CC2=CC3=CC=C(F)C=C3NC2=O)CCO1	REAL300010106565	0	43	-1.0	-56.72	344.11	3.59	-53.13
COCC1(C(=O)[O-])CN(CC2CCC3(CCOC3)O2)CCO1	REAL300010106566	0	46	-1.0	-64.09	340.09	2.70	-61.39
COCC1(C(=O)[O-])CN(CC2CC3(CCCC3)CO2)CCO1	REAL300010106567	1	48	-1.0	-52.13	354.09	4.59	-47.54
COCC1(C(=O)[O-])CN(CC(O)C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300010106568	0	51	-1.0	-57.12	398.72	6.19	-50.93
COCC1(C(=O)[O-])CN(CC2=CC(C(=O)OC)=NN2C)CCO1	REAL300010106569	0	43	-1.0	-58.61	344.76	3.03	-55.58
COCC1(C(=O)[O-])CN(CCOC2(C#N)CCOC2)CCO1	REAL300010106570	0	43	-1.0	-53.48	337.85	1.32	-52.16
COCC1(C(=O)[O-])CN(CC2CCCC(C3CC3)O2)CCO1	REAL300010106572	1	48	-1.0	-54.67	356.20	5.44	-49.23
COCC1(C(=O)[O-])CN(CC2CC3(CO2)CCOCC3)CCO1	REAL300010106573	1	49	-1.0	-57.26	360.58	2.73	-54.53
CCN1N=CC(Br)=C1CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106574	0	40	-1.0	-50.15	334.02	4.16	-45.99
COCC1(C(=O)[O-])CN(C2CCN(C3=CC=CC(C)=C3)C2=O)CCO1	REAL300010106575	0	48	-1.0	-70.61	366.34	5.54	-65.07
COCC1(C(=O)[O-])CN(CCC2=CC=C(Cl)N=C2)CCO1	REAL300010106576	0	39	-1.0	-51.58	327.43	4.35	-47.23
COCC1(C(=O)[O-])CN(CC(O)COCC2=CC=CC=C2F)CCO1	REAL300010106578	1	48	-1.0	-55.67	385.65	2.89	-52.78
COCC1(C(=O)[O-])CN(CC(O)COCC2=CC=CC=C2Cl)CCO1	REAL300010106579	1	48	-1.0	-55.32	395.09	3.31	-52.01
COCC1(C(=O)[O-])CN(CC(O)COC(C)C2=CC=C(Cl)C=C2)CCO1	REAL300010106580	0	51	-1.0	-59.53	418.21	3.98	-55.55
COCC1(C(=O)[O-])CN(C[C@@H](O)COCC2=CC=CC=C2)CCO1	REAL300010106581	1	48	-1.0	-59.98	382.41	2.67	-57.31
COCC1(C(=O)[O-])CN(C[C@H](O)COCC2=CC=CC=C2)CCO1	REAL300010106582	1	48	-1.0	-54.30	384.21	3.18	-51.12
COCC1(C(=O)[O-])CN(CC2=NN=C(C3CC3)S2)CCO1	REAL300010106583	0	39	-1.0	-59.50	326.12	3.23	-56.27
COCC1(C(=O)[O-])CN(CC2=NN=C(C(C)C)S2)CCO1	REAL300010106584	0	41	-1.0	-54.46	335.19	2.80	-51.66
COCC1(C(=O)[O-])CN(CC2=NN=C(C3=CC=CC=C3)S2)CCO1	REAL300010106585	0	42	-1.0	-55.85	351.41	4.48	-51.37
CCC1=NN=C(CN2CCOC(COC)(C(=O)[O-])C2)S1	REAL300010106586	0	38	-1.0	-52.37	319.63	3.00	-49.37
COCC1(C(=O)[O-])CN(C(C)C2=NN=C(C)S2)CCO1	REAL300010106587	0	38	-1.0	-53.20	314.74	2.73	-50.47
COCC1(C(=O)[O-])CN(CC2=NN=C(C3CC3)S2)CCO1	REAL300010106588	0	39	-1.0	-59.50	326.12	3.23	-56.27
CCC1=NN=C(CN2CCOC(COC)(C(=O)[O-])C2)S1	REAL300010106589	0	38	-1.0	-52.37	319.63	3.00	-49.37
COCC1(C(=O)[O-])CN(CC2=NN=C(C(C)C)S2)CCO1	REAL300010106590	0	41	-1.0	-54.46	335.19	2.80	-51.66
COCC1(C(=O)[O-])CN(C2CCCN(C3=CC=C(F)C(F)=C3)C2=O)CCO1	REAL300010106591	0	48	-1.0	-55.01	382.27	6.28	-48.73
COCC1(C(=O)[O-])CN(C2CCCN(C3=CC=CC=C3C)C2=O)CCO1	REAL300010106592	0	51	-1.0	-54.70	387.18	7.23	-47.47
COCC1(C(=O)[O-])CN(CCC2CCCC(=O)O2)CCO1	REAL300010106593	1	43	-1.0	-58.37	331.41	4.84	-53.53
COCC1(C(=O)[O-])CN(CC2=CC=CC(C3CC3)=C2)CCO1	REAL300010106594	0	44	-1.0	-51.22	344.76	7.39	-43.83
COCC1(C(=O)[O-])CN(CC2=CC=CC(C3CC3)=C2)CCO1	REAL300010106595	0	44	-1.0	-51.22	344.76	7.39	-43.83
COCC1(C(=O)[O-])CN(CC2=NN(C)C(Cl)=C2Br)CCO1	REAL300010106596	0	37	-1.0	-55.47	328.56	3.50	-51.97
COCC1(C(=O)[O-])CN(CCC2=CC=CC(Cl)=C2)CCO1	REAL300010106597	0	40	-1.0	-52.34	329.93	5.93	-46.41
COCC1(C(=O)[O-])CN(CC(F)C2=CC=CC(OC)=C2)CCO1	REAL300010106598	0	44	-1.0	-56.01	349.93	5.04	-50.97
COCC1(C(=O)[O-])CN(CC2=CSC(C3=CC=CC=C3Cl)=N2)CCO1	REAL300010106599	0	43	-1.0	-53.88	366.82	5.88	-48.00
COCC1(C(=O)[O-])CN(CC2=CC(OC)=CC=C2F)CCO1	REAL300010106600	0	41	-1.0	-54.27	322.70	3.96	-50.31
CCC(CN1CCOC(COC)(C(=O)[O-])C1)CC(F)(F)F	REAL300010106601	1	42	-1.0	-53.60	322.79	5.10	-48.50
COCC1(C(=O)[O-])CN(CC2=CSC(C3=CC=CC=C3)=N2)CCO1	REAL300010106602	0	43	-1.0	-53.31	359.01	5.92	-47.39
COCC1(C(=O)[O-])CN(CCC2CC(C)(C)NC2=O)CCO1	REAL300010106603	1	47	-1.0	-55.79	352.20	2.23	-53.56
COCC1(C(=O)[O-])CN(CC2=NOC(C3=CC=C(Cl)C=C3)=C2)CCO1	REAL300010106604	0	43	-1.0	-53.37	365.07	6.65	-46.72
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C(C)=C2)CCO1	REAL300010106605	0	40	-1.0	-50.35	325.71	5.60	-44.75
COCC1(C(=O)[O-])CN(C2CCC3=CC(Cl)=CC=C32)CCO1	REAL300010106606	0	41	-1.0	-50.35	324.39	5.98	-44.37
COCC1(C(=O)[O-])CN(CC(=O)N2CCCC2(C)C)CCO1	REAL300010106607	0	47	-1.0	-54.28	355.07	4.50	-49.78
COCC1(C(=O)[O-])CN(CC2=CC(Br)=CN=C2F)CCO1	REAL300010106608	0	36	-1.0	-50.55	309.45	3.31	-47.24
COCC1(C(=O)[O-])CN(CCC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300010106609	1	43	-1.0	-53.25	352.26	6.43	-46.82
COCC1(C(=O)[O-])CN(CCC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300010106610	1	43	-1.0	-53.25	352.26	6.43	-46.82
COCC1(C(=O)[O-])CN(C[C@H](O)C2=CC=CC=C2OC)CCO1	REAL300010106611	0	45	-1.0	-55.80	352.55	2.05	-53.75
COCC1(C(=O)[O-])CN(CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)CCO1	REAL300010106612	0	49	-1.0	-57.42	392.87	5.29	-52.13
COCC1(C(=O)[O-])CN(CC2=CC(C)=CC(Cl)=C2)CCO1	REAL300010106613	0	40	-1.0	-50.81	333.69	6.46	-44.35
COCC1(C(=O)[O-])CN(CC(=O)N(C)C2CCCC2)CCO1	REAL300010106614	0	47	-1.0	-62.26	352.48	4.44	-57.82
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC(F)=CC(F)=C2)CCO1	REAL300010106616	0	43	-1.0	-54.92	360.61	6.53	-48.39
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300010106617	0	46	-1.0	-59.09	385.24	6.99	-52.10
COCC1(C(=O)[O-])CN(CC2CC3(CC3(F)F)C2)CCO1	REAL300010106618	1	41	-1.0	-57.24	324.21	5.37	-51.87
COCC1(C(=O)[O-])CN(CC2=CC=C(C#N)C3=CC=CC=C23)CCO1	REAL300010106619	1	44	-1.0	-53.52	356.91	7.25	-46.27
COCC1(C(=O)[O-])CN(CC2CN3CC(CCC3=O)O2)CCO1	REAL300010106620	0	46	-1.0	-59.52	334.70	3.53	-55.99
COCC1(C(=O)[O-])CN(CC2CC3=CC=CC=C3O2)CCO1	REAL300010106621	0	42	-1.0	-53.35	324.66	4.84	-48.51
COCC1(C(=O)[O-])CN(CC2=CON=C2C2CCC2)CCO1	REAL300010106622	0	43	-1.0	-54.16	339.69	4.98	-49.18
COCC1(C(=O)[O-])CN(CC2=C(C(F)(F)F)N(C)N=N2)CCO1	REAL300010106623	0	39	-1.0	-59.28	315.27	1.84	-57.44
COCC1(C(=O)[O-])CN(CC2=CC(S(C)(=O)=O)=C(C)O2)CCO1	REAL300010106624	0	43	-1.0	-61.01	356.99	1.65	-59.36
COCC1(C(=O)[O-])CN(CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)CCO1	REAL300010106625	0	52	-1.0	-58.34	410.56	6.03	-52.31
COCC1(C(=O)[O-])CN(CCC2=CC=CN=C2Cl)CCO1	REAL300010106626	0	39	-1.0	-52.75	321.87	4.18	-48.57
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC(C(F)(F)F)=C2)CCO1	REAL300010106627	0	40	-1.0	-49.91	340.69	6.36	-43.55
COCC1(C(=O)[O-])CN(CC2=CC(F)=CC=C2OC)CCO1	REAL300010106628	0	41	-1.0	-53.63	329.49	4.27	-49.36
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC(F)=CC(F)=C2)CCO1	REAL300010106629	0	43	-1.0	-54.92	360.61	6.53	-48.39
COCC1(C(=O)[O-])CN(C(C(=O)OC)C2=CC=CC(F)=C2)CCO1	REAL300010106630	0	43	-1.0	-65.60	353.21	6.17	-59.43
COCC1(C(=O)[O-])CN(CC2=CC=C(Br)N=C2)CCO1	REAL300010106631	0	36	-1.0	-50.92	311.89	3.94	-46.98
COCC1(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2C)CCO1	REAL300010106632	0	40	-1.0	-52.59	325.99	5.80	-46.79
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2CC(=O)OC)CCO1	REAL300010106633	0	46	-1.0	-54.46	356.12	5.48	-48.98
COCC1(C(=O)[O-])CN(C[C@H](O)C2=CC=CC=C2F)CCO1	REAL300010106634	0	41	-1.0	-60.62	331.02	2.98	-57.64
COCC1(C(=O)[O-])CN(CCC(=O)N2CCCC2)CCO1	REAL300010106635	1	44	-1.0	-54.17	337.96	3.40	-50.77
CCN(CC)C(=O)CCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106636	1	46	-1.0	-53.48	351.94	4.05	-49.43
COCC1(C(=O)[O-])CN(CCC(=O)N2CCCCCC2)CCO1	REAL300010106637	1	50	-1.0	-53.81	365.26	5.12	-48.69
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)N=C2C)CCO1	REAL300010106638	0	39	-1.0	-58.33	314.22	3.76	-54.57
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2OC(F)(F)F)CCO1	REAL300010106639	0	41	-1.0	-54.50	330.96	4.56	-49.94
COCC1(C(=O)[O-])CN(CC2=CSC(Cl)=C2)CCO1	REAL300010106640	0	34	-1.0	-49.66	302.85	4.87	-44.79
COCC1(C(=O)[O-])CN(CC2=NC=CC(C)=C2Br)CCO1	REAL300010106641	0	39	-1.0	-53.92	326.13	4.31	-49.61
COCC1(C(=O)[O-])CN(CC2=NC(C)=CC=C2OC)CCO1	REAL300010106642	0	43	-1.0	-59.24	334.66	3.39	-55.85
COCC1(C(=O)[O-])CN(CC2=CN=C(Cl)C(C)=C2)CCO1	REAL300010106643	0	39	-1.0	-50.79	320.82	3.65	-47.14
COCC1(C(=O)[O-])CN(CC2=CC=CC=C2NC(C)=O)CCO1	REAL300010106644	0	44	-1.0	-53.48	337.97	4.00	-49.48
COCC1(C(=O)[O-])CN(CC2=CC=C(C3CC(=O)C3)C=C2)CCO1	REAL300010106645	0	46	-1.0	-55.05	362.13	6.52	-48.53
COCC1(C(=O)[O-])CN(CCC2(C(F)(F)F)CCC2)CCO1	REAL300010106646	1	43	-1.0	-49.81	332.94	5.27	-44.54
COCC1(C(=O)[O-])CN(CCCCS(N)(=O)=O)CCO1	REAL300010106647	0	41	-1.0	-61.50	331.66	-1.83	-63.33
COCC1(C(=O)[O-])CN(CC2CC(C(F)(F)F)C2)CCO1	REAL300010106648	1	40	-1.0	-53.33	314.62	4.67	-48.66
C=CCC1=CC=CC=C1CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106649	1	44	-1.0	-51.62	334.66	6.02	-45.60
COCC1(C(=O)[O-])CN(CC2=CC=CC(I)=C2)CCO1	REAL300010106650	0	37	-1.0	-50.10	317.98	5.58	-44.52
C=CCC1=CC=CC(CN2CCOC(COC)(C(=O)[O-])C2)=C1	REAL300010106651	0	44	-1.0	-51.28	351.25	7.10	-44.18
COCC1(C(=O)[O-])CN(CC(CC(F)F)C2=CC=CC=C2)CCO1	REAL300010106652	1	46	-1.0	-54.10	364.47	7.68	-46.42
CCC1=CSC(CN2CCOC(COC)(C(=O)[O-])C2)=N1	REAL300010106654	0	39	-1.0	-56.41	321.60	3.28	-53.13
COCC1(C(=O)[O-])CN(CC2=CN=C(OC)C(C)=C2)CCO1	REAL300010106655	0	43	-1.0	-51.86	342.76	2.46	-49.40
COCC1(C(=O)[O-])CN(CC2=NC(C3=CC=C(F)C=C3)=CS2)CCO1	REAL300010106656	0	43	-1.0	-57.87	363.06	5.64	-52.23
CCOC(=O)C1=CC=C(F)C(CN2CCOC(COC)(C(=O)[O-])C2)=C1	REAL300010106657	0	46	-1.0	-56.54	369.82	6.25	-50.29
COCC1(C(=O)[O-])CN(CC2=CC(Br)=C(C)C=C2Cl)CCO1	REAL300010106658	0	40	-1.0	-51.73	348.57	6.45	-45.28
COCC1(C(=O)[O-])CN(CC2=CN=C(C(C)C)S2)CCO1	REAL300010106659	0	42	-1.0	-52.63	342.65	4.19	-48.44
COCC1(C(=O)[O-])CN(CC2=NN(C)C=C2Br)CCO1	REAL300010106660	0	37	-1.0	-55.23	318.53	3.25	-51.98
COCC1=CC(CN2CCOC(COC)(C(=O)[O-])C2)=NO1	REAL300010106661	0	40	-1.0	-53.62	323.98	2.25	-51.37
CCC(C1=CC(Cl)=CC2=C1OCC2)N1CCOC(COC)(C(=O)[O-])C1	REAL300010106662	0	48	-1.0	-53.54	371.75	6.90	-46.64
COCC1(C(=O)[O-])CN(CCOCCOCC2=CC=CC=C2)CCO1	REAL300010106663	0	51	-1.0	-59.36	405.34	5.21	-54.15
COCC1(C(=O)[O-])CN(CC2=CON=C2C(C)(C)C)CCO1	REAL300010106664	0	45	-1.0	-50.08	334.31	4.02	-46.06
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C3NC(C)=NC3=C2)CCO1	REAL300010106666	0	47	-1.0	-64.37	377.83	3.22	-61.15
COCC1(C(=O)[O-])CN(CC(=O)NC2=CC=C3N=C(C)NC3=C2)CCO1	REAL300010106666	1	47	-1.0	-70.88	376.79	3.13	-67.75
COCC1(C(=O)[O-])CN(CC2=C(S(C)(=O)=O)C=CS2)CCO1	REAL300010106668	0	40	-1.0	-60.37	327.82	1.50	-58.87
COCC1(C(=O)[O-])CN(CC2=NN=NN2C2=CC=C(F)C=C2)CCO1	REAL300010106669	0	42	-1.0	-56.99	346.38	3.76	-53.23
COCC1(C(=O)[O-])CN(C(C)C2=NC=C(C3=CC=C(F)C=C3)O2)CCO1	REAL300010106670	0	46	-1.0	-57.05	370.12	5.15	-51.90
COCC1(C(=O)[O-])CN(CC(O)CC2CCCO2)CCO1	REAL300010106671	1	45	-1.0	-59.56	346.27	1.04	-58.52
COCC1(C(=O)[O-])CN(CC(O)(C(C)C)C(F)(F)F)CCO1	REAL300010106672	0	43	-1.0	-59.09	327.64	3.49	-55.60
CCCC(O)(CN1CCOC(COC)(C(=O)[O-])C1)C(F)(F)F	REAL300010106673	0	43	-1.0	-59.60	334.61	3.59	-56.01
COCC1(C(=O)[O-])CN(CC(O)CC2=CC=CC(F)=C2)CCO1	REAL300010106674	1	44	-1.0	-58.23	354.04	3.26	-54.97
CCCCCOCC(O)CN1CCOC(COC)(C(=O)[O-])C1	REAL300010106675	1	50	-1.0	-57.98	387.00	1.98	-56.00
COCC1(C(=O)[O-])CN(CC(O)CC2=CC=C(F)C(C)=C2)CCO1	REAL300010106676	1	47	-1.0	-57.38	374.35	3.89	-53.49
COCC1(C(=O)[O-])CN(CC2CCCCC2C(F)(F)F)CCO1	REAL300010106677	1	46	-1.0	-54.42	340.91	6.04	-48.38
COCC1(C(=O)[O-])CN(CC2=CC=C(F)C(C(F)(F)F)=C2)CCO1	REAL300010106678	0	40	-1.0	-51.98	334.57	5.54	-46.44
COCC1(C(=O)[O-])CN(CC2=CSC(C(F)(F)F)=C2)CCO1	REAL300010106679	0	37	-1.0	-50.08	326.45	5.45	-44.63
COCC1(C(=O)[O-])CN(CC2=C(C(F)(F)F)SC=C2)CCO1	REAL300010106680	0	37	-1.0	-51.57	305.32	4.11	-47.46
COCC1(C(=O)[O-])CN(CC2=C(C)ON=C2Br)CCO1	REAL300010106681	0	36	-1.0	-50.45	307.70	3.66	-46.79
COCC1(C(=O)[O-])CN(CC(O)CC2(C)CCCO2)CCO1	REAL300010106682	1	48	-1.0	-55.32	357.42	2.37	-52.95
COCC1(C(=O)[O-])CN(CC2=C(Br)C=CC(Cl)=C2F)CCO1	REAL300010106683	0	37	-1.0	-52.89	320.98	5.18	-47.71
COCC1(C(=O)[O-])CN(CC2=NC3=CC(Cl)=CC=C3N2C(C)C)CCO1	REAL300010106685	0	49	-1.0	-52.14	395.07	7.46	-44.68
COCC1(C(=O)[O-])CN(CC2=CN=C(C3=CN=CN=C3)N=C2)CCO1	REAL300010106686	0	43	-1.0	-59.20	350.50	3.87	-55.33
COCC1(C(=O)[O-])CN(CC2=CC=C(Cl)C(F)=C2F)CCO1	REAL300010106688	0	37	-1.0	-58.92	322.73	5.44	-53.48
COCC1(C(=O)[O-])CN(CC2=C(C)C=C(Br)C=C2C)CCO1	REAL300010106689	0	43	-1.0	-54.51	333.38	5.88	-48.63
COCC1(C(=O)[O-])CN(CC2=NOC(CC3=CC=CC=C3)=C2)CCO1	REAL300010106690	0	46	-1.0	-53.92	371.72	7.00	-46.92
COCC1(C(=O)[O-])CN(CC2=CSC=C2C(F)(F)F)CCO1	REAL300010106691	0	37	-1.0	-53.80	320.37	5.90	-47.90
COCC1(C(=O)[O-])CN(CCN2C=NC3=CC=CC=C3C2=O)CCO1	REAL300010106692	0	45	-1.0	-55.30	359.46	5.83	-49.47
COCC1(C(=O)[O-])CN(CC(C)(O)CC2=CC=CC(F)=C2)CCO1	REAL300010106693	1	47	-1.0	-58.04	361.67	4.39	-53.65
COCC1(C(=O)[O-])CN(CC2=CC=C(Br)C(C)=N2)CCO1	REAL300010106694	0	39	-1.0	-50.37	328.72	4.43	-45.94
COCC1(C(=O)[O-])CN(CC2=CN=C(Br)C(C)=C2)CCO1	REAL300010106695	0	39	-1.0	-50.75	324.88	3.70	-47.05
COCC1(C(=O)[O-])CN(CC2=CC=C(OC(F)F)C(OC)=C2)CCO1	REAL300010106696	0	45	-1.0	-54.47	358.64	3.97	-50.50
COCC1(C(=O)[O-])CN(CC2=CC(Br)=CC(Cl)=C2F)CCO1	REAL300010106697	0	37	-1.0	-49.51	329.29	5.49	-44.02
COCC1(C(=O)[O-])CN(C[C@@H]2CC=CC[C@H]2C(F)(F)F)CCO1	REAL300010106698	1	44	-1.0	-53.11	333.96	8.10	-45.01
COCC1(C(=O)[O-])CN(CC2=CC=C(OC)N=C2C)CCO1	REAL300010106699	0	43	-1.0	-58.33	329.52	1.82	-56.51
CCN1CCCC(N2CCOC(COC)(C(=O)[O-])C2)C1=O	REAL300010106700	0	44	-1.0	-64.85	330.17	3.45	-61.40
COCC1(C(=O)[O-])CN(CC2=CC=C(CC3=CC=CC=C3)C=C2)CCO1	REAL300010106701	0	50	-1.0	-55.81	394.03	9.19	-46.62
COCC1(C(=O)[O-])CN(CC(O)C2=CC(F)=CC=C2OC)CCO1	REAL300010106702	0	45	-1.0	-55.85	358.94	2.12	-53.73
COCC1(C(=O)[O-])CN(CC2CN(C3=CC=CC=C3)CCO2)CCO1	REAL300010106703	0	50	-1.0	-55.53	379.98	4.16	-51.37
COCC1(C(=O)[O-])CN([C@H]2C[C@@H](C(C)(C)C)NC2=O)CCO1	REAL300010106704	0	47	-1.0	-64.52	347.59	2.72	-61.80
COCC1(C(=O)[O-])CN(CC(O)C2=CC=CC(Cl)=N2)CCO1	REAL300010106705	0	40	-1.0	-54.05	333.43	1.27	-52.78
COCC1(C(=O)[O-])CN(CC(O)C2CCCC3=CC=CC=C32)CCO1	REAL300010106706	1	51	-1.0	-58.46	371.45	4.98	-53.48
COCC1(C(=O)[O-])CN(CC2=NN(C)C=C2[N+](=O)[O-])CCO1	REAL300010106707	0	39	-1.0	-59.47	326.04	3.70	-55.77
COCC1(C(=O)[O-])CN(CCC(C2=CC=CC=C2)C(F)F)CCO1	REAL300010106708	1	46	-1.0	-55.86	358.84	6.91	-48.95
COCC1(C(=O)[O-])CN(CC2=NN(CC3=CC=CC=C3)C=C2)CCO1	REAL300010106709	0	47	-1.0	-56.80	380.89	6.86	-49.94
COCC1(C(=O)[O-])CN(CC2=CC(C3=CC=CC=C3)=NN2)CCO1	REAL300010106710	0	44	-1.0	-52.48	355.69	5.36	-47.12
COCC1(C(=O)[O-])CN(CC2=CC=CC(CC#N)=N2)CCO1	REAL300010106711	0	40	-1.0	-62.18	332.96	4.58	-57.60
COCC1(C(=O)[O-])CN(CC2=CC=C(CNC(C)=O)C=C2)CCO1	REAL300010106712	0	47	-1.0	-60.16	373.42	3.76	-56.40
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=CC(Br)=C2)CCO1	REAL300010106713	0	37	-1.0	-49.25	333.58	6.41	-42.84
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(C)(F)F)=N2)CCO1	REAL300010106714	0	42	-1.0	-50.91	343.13	5.09	-45.82
COCC1(C(=O)[O-])CN(CC2=C(C)OC(C3=CC=CC=C3C)=N2)CCO1	REAL300010106715	0	49	-1.0	-54.28	391.50	4.77	-49.51
COCC1(C(=O)[O-])CN(CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)CCO1	REAL300010106716	0	46	-1.0	-51.84	380.54	4.23	-47.61
COCC1(C(=O)[O-])CN(CC2=NOC(C3CCCC3)=C2)CCO1	REAL300010106717	0	46	-1.0	-51.47	356.89	5.78	-45.69
COCC1(C(=O)[O-])CN(CC2=NC=CN=C2C(F)(F)F)CCO1	REAL300010106718	0	38	-1.0	-54.31	312.90	3.44	-50.87
COCC1(C(=O)[O-])CN(CCC2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300010106719	1	43	-1.0	-51.75	351.95	6.42	-45.33
COCC1(C(=O)[O-])CN(CCC=CBr)CCO1	REAL300010106720	0	34	-1.0	-51.70	288.56	3.91	-47.79
COCC1(C(=O)[O-])CN(CC(C)(O)C2=CC=CC(Cl)=N2)CCO1	REAL300010106723	0	43	-1.0	-55.74	350.86	2.74	-53.00
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(=O)OC)=C2Cl)CCO1	REAL300010106724	0	43	-1.0	-63.26	359.64	5.80	-57.46
COCC1(C(=O)[O-])CN(CC2=CC3=CC=CC=C3N=C2OC)CCO1	REAL300010106725	0	46	-1.0	-60.54	368.52	3.82	-56.72
COCC1(C(=O)[O-])CN(CC2=NC3=CC(C(=O)OC)=CC=C3N2C)CCO1	REAL300010106726	0	49	-1.0	-57.17	398.03	6.35	-50.82
COCC1(C(=O)[O-])CN(CC2CCC(CO)CO2)CCO1	REAL300010106727	1	45	-1.0	-59.50	340.77	0.30	-59.20
COCC1(C(=O)[O-])CN(CC2COCC(C)(C)O2)CCO1	REAL300010106728	0	45	-1.0	-55.84	339.09	2.90	-52.94
COCC1(C(=O)[O-])CN(CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)CCO1	REAL300010106729	0	46	-1.0	-52.01	370.22	3.78	-48.23
CCC1=CC=C(C2=NC(CN3CCOC(COC)(C(=O)[O-])C3)=C(C)O2)C=C1	REAL300010106730	0	52	-1.0	-53.51	406.70	5.16	-48.35
COCC1(C(=O)[O-])CN(CC2=CC(=O)NC3=CC=CC=C23)CCO1	REAL300010106731	1	43	-1.0	-65.87	333.32	3.54	-62.33
COCC1(C(=O)[O-])CN(CC2=CC=C(OC)C=C2F)CCO1	REAL300010106732	0	41	-1.0	-52.43	321.34	3.69	-48.74
CCCCSC1=CC=CC(CN2CCOC(COC)(C(=O)[O-])C2)=C1	REAL300010106733	0	50	-1.0	-51.78	394.81	7.92	-43.86
COCC1(C(=O)[O-])CN(CC2=CC=CC(OCC3CC3)=C2)CCO1	REAL300010106734	0	48	-1.0	-53.15	378.58	6.92	-46.23
COCC1(C(=O)[O-])CN(CC2=CC=C(C(F)(F)F)C=C2C)CCO1	REAL300010106735	0	43	-1.0	-50.17	338.76	5.75	-44.42
COCCCC1=CC=CC(CN2CCOC(COC)(C(=O)[O-])C2)=C1	REAL300010106736	1	50	-1.0	-52.94	393.61	6.40	-46.54
COCC1(C(=O)[O-])CN(CC2=CC(C3=CC=CC(F)=C3F)=CC=C2F)CCO1	REAL300010106737	0	47	-1.0	-52.18	384.91	8.38	-43.80
COCC1(C(=O)[O-])CN(CC2=CC=C(C)C([N+](=O)[O-])=C2)CCO1	REAL300010106738	0	42	-1.0	-53.03	334.42	5.68	-47.35
CCCCCSCCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106739	1	46	-1.0	-50.76	362.49	6.12	-44.64
COCC1(C(=O)[O-])CN(CC2=CN(C)N=C2C(F)(F)F)CCO1	REAL300010106740	0	40	-1.0	-62.12	337.43	3.80	-58.32
COCC1(C(=O)[O-])CN(CC2CC2(Br)Br)CCO1	REAL300010106741	0	34	-1.0	-50.92	310.02	5.13	-45.79
COCC1(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=CS2)CCO1	REAL300010106742	0	37	-1.0	-50.26	320.89	4.74	-45.52
COCC1(C(=O)[O-])CN(CC2=CC=CN=C2Br)CCO1	REAL300010106743	0	36	-1.0	-61.28	297.59	3.23	-58.05
COCC1(C(=O)[O-])CN(CC2=CSC(C3=CC=C(C)C=C3)=N2)CCO1	REAL300010106744	0	46	-1.0	-53.21	380.42	6.59	-46.62
COCC1(C(=O)[O-])CN(C(C(=O)OC)[C@@H](C)OC)CCO1	REAL300010106745	0	43	-1.0	-60.76	332.98	3.64	-57.12
COCC1(C(=O)[O-])CN(CC2=NC(Cl)=CC=C2Br)CCO1	REAL300010106746	0	36	-1.0	-52.04	315.84	3.98	-48.06
COCC1(C(=O)[O-])CN(CCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)CCO1	REAL300010106748	1	52	-1.0	-62.40	408.20	6.07	-56.33
COCC1(C(=O)[O-])CN(CC2=CC(C)=NC(OC)=N2)CCO1	REAL300010106749	0	42	-1.0	-53.03	337.70	0.57	-52.46
C=C(Br)CCN1CCOC(COC)(C(=O)[O-])C1	REAL300010106750	0	34	-1.0	-51.82	287.68	3.58	-48.24
COCC1(C(=O)[O-])CN(CC2=NC=C([N+](=O)[O-])N2C)CCO1	REAL300010106752	0	39	-1.0	-50.44	320.73	4.56	-45.88
O=C([O-])CS(=O)(=O)CCN1[C@H](CO)C[C@@H]2CCCC[C@@H]21	REAL300010106754	1	42	-1.0	-54.40	328.64	0.86	-53.54
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN(C)[C@@H](C)C(=O)N(C)C)S1	REAL300010106755	0	51	-1.0	-51.46	404.39	5.12	-46.34
COC(=O)C1CCN(CCOC2=CC=CC=C2C(=O)[O-])CC1OC	REAL300010106756	1	46	-1.0	-66.93	368.51	7.58	-59.35
COC(=O)C1CCN(CCS(=O)(=O)CC(=O)[O-])CC1OC	REAL300010106757	0	41	-1.0	-57.72	344.03	2.12	-55.60
COC(=O)C1CCN(CC2=CC=C(C(=O)[O-])C=C2)CC1OC	REAL300010106758	1	42	-1.0	-53.17	340.79	6.80	-46.37
COC(=O)C1CCN(CC2=CC=CC(C(=O)[O-])=C2)CC1OC	REAL300010106759	1	42	-1.0	-52.35	335.80	6.67	-45.68
COC(=O)C1CCN(C2CCN(CC(=O)[O-])C2=O)CC1OC	REAL300010106760	0	43	-1.0	-62.30	342.82	4.50	-57.80
NC(=O)C1CC2=CC=CC=C2N1CCOC1=CC=CC=C1C(=O)[O-]	REAL300010106763	0	41	-1.0	-73.54	331.71	6.74	-66.80
NC(=O)C1CC2=CC=CC=C2N1C1CCN(CC(=O)[O-])C1=O	REAL300010106764	0	38	-1.0	-77.71	312.55	3.18	-74.53
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN(CCOC)CC2CC2)S1	REAL300010106765	0	52	-1.0	-46.83	426.84	6.86	-39.97
CN(CC(=O)NCC(=O)[O-])CC1=CC=CC(OC(F)F)=C1	REAL300010106766	0	36	-1.0	-46.24	308.20	2.98	-43.26
CN(CCS(=O)(=O)CC(=O)[O-])CC1=CC=CC(OC(F)F)=C1	REAL300010106768	0	38	-1.0	-56.67	334.04	2.87	-53.80
CN(CC1=CC=CC(OC(F)F)=C1)C1CCN(CC(=O)[O-])C1=O	REAL300010106771	0	40	-1.0	-58.90	331.39	5.49	-53.41
CN(CC1=NC(C(=O)[O-])=CO1)CC1=CC=CC(OC(F)F)=C1	REAL300010106776	0	35	-1.0	-54.85	308.62	2.61	-52.24
O=C([O-])C1=CC=CC=C1OCCN(CC1=CC=CC=C1Cl)C1CC1	REAL300010106779	1	43	-1.0	-58.44	354.37	10.33	-48.11
O=C([O-])CS(=O)(=O)CCN(CC1=CC=CC=C1Cl)C1CC1	REAL300010106780	0	38	-1.0	-54.71	337.48	5.39	-49.32
O=C([O-])C1=CC=C(CN(CC2=CC=CC=C2Cl)C2CC2)C=C1	REAL300010106781	1	39	-1.0	-51.62	336.47	10.28	-41.34
O=C([O-])C1=CC=CC(CN(CC2=CC=CC=C2Cl)C2CC2)=C1	REAL300010106782	0	39	-1.0	-50.84	332.86	10.29	-40.55
O=C([O-])CN1CCC(N(CC2=CC=CC=C2Cl)C2CC2)C1=O	REAL300010106783	0	40	-1.0	-55.57	331.03	7.82	-47.75
O=C([O-])C1=COC(CN(CC2=CC=CC=C2Cl)C2CC2)=N1	REAL300010106787	0	35	-1.0	-51.55	306.72	4.68	-46.87
CC1=CC=C(CN(CCS(=O)(=O)CC(=O)[O-])C2CC2)C=C1	REAL300010106792	0	41	-1.0	-54.68	343.01	5.41	-49.27
CC1=CC=C(CN(C2CC2)C2CCN(CC(=O)[O-])C2=O)C=C1	REAL300010106793	1	43	-1.0	-56.08	333.53	8.13	-47.95
CN1N=CC=C1CN(CCOC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300010106795	0	43	-1.0	-65.22	343.58	7.53	-57.69
CN1N=CC=C1CN(CCS(=O)(=O)CC(=O)[O-])C1CC1	REAL300010106796	0	38	-1.0	-55.63	313.85	3.90	-51.73
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCCCC(=O)[O-])=C2	REAL300010106797	0	47	-1.0	-48.20	375.79	12.82	-35.38
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CC(=O)NCC(=O)[O-])=C2	REAL300010106798	0	45	-1.0	-47.94	370.74	9.26	-38.68
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCOC1=CC=CC=C1C(=O)[O-])=C2	REAL300010106799	0	52	-1.0	-61.21	414.37	14.41	-46.80
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCCC(=O)[O-])=C2	REAL300010106800	0	44	-1.0	-50.39	354.30	12.04	-38.35
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CC1=CC=C(C(=O)[O-])C=C1)=C2	REAL300010106801	0	48	-1.0	-56.26	386.67	13.95	-42.31
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CC1=CC=CC(C(=O)[O-])=C1)=C2	REAL300010106802	0	48	-1.0	-59.05	387.00	13.95	-45.10
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C1CCN(CC(=O)[O-])C1=O)=C2	REAL300010106803	0	49	-1.0	-59.46	389.96	11.49	-47.97
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CC=CC(=O)[O-])=C2	REAL300010106804	0	42	-1.0	-52.47	346.02	11.89	-40.58
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CC1=NC(C(=O)[O-])=CO1)=C2	REAL300010106805	0	44	-1.0	-56.31	369.67	8.87	-47.44
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCOCCC(=O)[O-])=C2	REAL300010106806	0	48	-1.0	-48.94	387.21	11.39	-37.55
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCCCCC(=O)[O-])=C2	REAL300010106807	0	50	-1.0	-50.34	397.29	13.60	-36.74
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCCCC(=O)[O-])=C2	REAL300010106808	0	47	-1.0	-48.20	375.79	12.82	-35.38
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)CCOCC(=O)[O-])=C2	REAL300010106809	0	45	-1.0	-51.99	365.08	11.31	-40.68
O=C([O-])CNC(=O)CN(CC1=CC=CC=C1F)[C@H]1CC[C@H](O)CC1	REAL300010106812	0	46	-1.0	-42.66	347.95	2.59	-40.07
O=C([O-])CS(=O)(=O)CCN(CC1=CC=CC=C1F)[C@H]1CC[C@H](O)CC1	REAL300010106815	0	48	-1.0	-56.81	383.91	3.13	-53.68
O=C([O-])CN1CCC(N(CC2=CC=CC=C2F)[C@H]2CC[C@H](O)CC2)C1=O	REAL300010106818	0	50	-1.0	-58.49	377.88	5.65	-52.84
O=C([O-])C1=COC(CN(CC2=CC=CC=C2F)[C@H]2CC[C@H](O)CC2)=N1	REAL300010106823	0	45	-1.0	-56.78	360.71	3.17	-53.61
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC3=C(C=NO3)C2)S1	REAL300010106828	0	45	-1.0	-47.38	377.64	6.38	-41.00
CC1(C)[C@@H]2CC[C@@]1(C)CN(CCS(=O)(=O)CC(=O)[O-])C2	REAL300010106830	1	44	-1.0	-52.66	324.85	4.33	-48.33
COC(=O)C1=C2CN(CCOC3=CC=CC=C3C(=O)[O-])CCN2C=C1	REAL300010106832	0	44	-1.0	-67.32	357.26	8.21	-59.11
COC(=O)C1=C2CN(CCS(=O)(=O)CC(=O)[O-])CCN2C=C1	REAL300010106833	0	39	-1.0	-59.39	332.27	2.73	-56.66
COC(=O)C1=C2CN(CC3=CC=C(C(=O)[O-])C=C3)CCN2C=C1	REAL300010106834	0	40	-1.0	-52.63	324.13	7.56	-45.07
COC(=O)C1=C2CN(CC3=CC=CC(C(=O)[O-])=C3)CCN2C=C1	REAL300010106835	0	40	-1.0	-49.59	324.16	7.55	-42.04
COC(=O)C1=C2CN(C3CCN(CC(=O)[O-])C3=O)CCN2C=C1	REAL300010106836	0	41	-1.0	-51.46	330.59	5.51	-45.95
COC(=O)C1=C2CN(CCC3(C(=O)[O-])CCC3)CCN2C=C1	REAL300010106837	0	43	-1.0	-57.42	336.05	7.67	-49.75
COC(=O)C1=C2CN(CCC3(C(=O)[O-])CCOC3)CCN2C=C1	REAL300010106838	0	44	-1.0	-48.86	341.01	5.56	-43.30
COC(=O)C1=C2CN(CC34CC(C(=O)[O-])(C3)C4)CCN2C=C1	REAL300010106839	0	41	-1.0	-50.45	324.99	7.32	-43.13
COC(=O)C1=C2CN(CC3(O)CCC(C(=O)[O-])CC3)CCN2C=C1	REAL300010106840	0	47	-1.0	-55.22	355.25	6.20	-49.02
COC(=O)C1=C2CN(CC3=NC(C(=O)[O-])=CO3)CCN2C=C1	REAL300010106841	0	36	-1.0	-51.07	312.15	3.26	-47.81
CC1CN(CCOC2=CC=CC=C2C(=O)[O-])CC2=C(Cl)C=CC=C21	REAL300010106842	1	43	-1.0	-58.91	346.51	9.47	-49.44
CC1CN(CCS(=O)(=O)CC(=O)[O-])CC2=C(Cl)C=CC=C21	REAL300010106843	0	38	-1.0	-54.91	325.88	4.35	-50.56
CC1CN(CC2=CC=C(C(=O)[O-])C=C2)CC2=C(Cl)C=CC=C21	REAL300010106844	1	39	-1.0	-53.24	324.73	9.56	-43.68
CC1CN(CC2=CC=CC(C(=O)[O-])=C2)CC2=C(Cl)C=CC=C21	REAL300010106845	1	39	-1.0	-56.10	319.04	9.04	-47.06
CC1CN(C2CCN(CC(=O)[O-])C2=O)CC2=C(Cl)C=CC=C21	REAL300010106846	0	40	-1.0	-54.68	326.16	7.27	-47.41
CC1CN(CC2=NC(C(=O)[O-])=CO2)CC2=C(Cl)C=CC=C21	REAL300010106851	0	35	-1.0	-51.17	301.26	4.18	-46.99
CCCC1C2=CC=CC=C2CCN1CCS(=O)(=O)CC(=O)[O-]	REAL300010106853	0	44	-1.0	-55.81	345.90	5.57	-50.24
CCCC1C2=CC=CC=C2CCN1C1CCN(CC(=O)[O-])C1=O	REAL300010106856	1	46	-1.0	-51.43	332.53	7.63	-43.80
CCCC1C2=CC=CC=C2CCN1CC1=NC(C(=O)[O-])=CO1	REAL300010106859	0	41	-1.0	-50.43	323.36	6.00	-44.43
O=C([O-])CN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106860	0	26	-1.0	-51.66	238.63	3.54	-48.12
O=C([O-])CCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106861	0	29	-1.0	-57.64	260.39	4.05	-53.59
O=C([O-])CN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106862	0	26	-1.0	-51.66	238.63	3.54	-48.12
CC(C(=O)[O-])N1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106863	0	29	-1.0	-53.20	260.47	4.52	-48.68
O=C([O-])CCCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106864	0	35	-1.0	-58.24	302.38	5.53	-52.71
O=C([O-])CCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106865	0	32	-1.0	-65.93	280.88	4.75	-61.18
O=C([O-])CNC(=O)CN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106866	0	33	-1.0	-49.78	297.61	2.05	-47.73
CCC(C(=O)[O-])N1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106867	0	32	-1.0	-64.63	276.32	5.24	-59.39
O=C([O-])CCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106868	0	32	-1.0	-65.93	280.88	4.75	-61.18
O=C([O-])C(C1CC1)N1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106869	0	33	-1.0	-70.90	282.21	5.38	-65.52
O=C([O-])C=CCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106870	0	30	-1.0	-72.04	273.60	4.59	-67.45
CC(C)C(C(=O)[O-])N1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106871	0	35	-1.0	-64.76	291.82	5.75	-59.01
O=C([O-])CCOCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106872	1	36	-1.0	-56.03	315.64	4.19	-51.84
O=C([O-])CCCCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106873	0	38	-1.0	-62.77	323.88	6.31	-56.46
O=C([O-])CCCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106874	0	35	-1.0	-58.24	302.38	5.53	-52.71
O=C([O-])COCCN1CCC2=C(C1)C(=O)C(I)=CN2	REAL300010106875	1	33	-1.0	-62.62	294.68	4.08	-58.54
O=C([O-])CN1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106876	0	45	-1.0	-53.42	358.52	9.19	-44.23
O=C([O-])CN1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106878	0	45	-1.0	-53.42	358.52	9.19	-44.23
CC(C(=O)[O-])N1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106879	0	48	-1.0	-54.60	374.81	9.74	-44.86
CCC(C(=O)[O-])N1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106882	0	51	-1.0	-54.94	390.65	10.38	-44.56
O=C([O-])C(C1CC1)N1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106884	0	52	-1.0	-56.52	400.02	11.08	-45.44
O=C([O-])C=CCN1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106885	0	49	-1.0	-55.80	394.02	10.28	-45.52
CC(C)C(C(=O)[O-])N1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106886	1	54	-1.0	-53.76	406.03	11.04	-42.72
O=C([O-])COCCN1CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300010106888	0	52	-1.0	-59.19	408.37	9.72	-49.47
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)CCS(=O)(=O)CC(=O)[O-]	REAL300010106895	0	55	-1.0	-54.10	431.21	8.15	-45.95
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)CC1=NC(C(=O)[O-])=CO1	REAL300010106906	1	52	-1.0	-51.34	405.51	8.16	-43.18
O=C([O-])CS(=O)(=O)CCN1CCC2(C1)CCC(F)(F)CC2	REAL300010106912	0	41	-1.0	-55.07	330.03	3.62	-51.45
O=C([O-])CN1CCC(N2CCC3(C2)CCC(F)(F)CC3)C1=O	REAL300010106915	1	43	-1.0	-56.32	327.91	6.17	-50.15
O=C([O-])C1=COC(CN2CCC3(C2)CCC(F)(F)CC3)=N1	REAL300010106919	0	38	-1.0	-51.60	304.30	3.32	-48.28
O=C([O-])C1=CC=CC=C1OCCN1CCN2N=CC(Cl)=C2C1	REAL300010106920	0	37	-1.0	-61.67	318.88	6.48	-55.19
O=C([O-])CS(=O)(=O)CCN1CCN2N=CC(Cl)=C2C1	REAL300010106921	0	32	-1.0	-55.97	295.99	1.24	-54.73
O=C([O-])C1CCC(O)(CN2CCN3N=CC(Cl)=C3C2)CC1	REAL300010106922	0	40	-1.0	-52.38	316.03	4.05	-48.33
O=C([O-])CS(=O)(=O)CCN1CCC2CCCCCC2C1	REAL300010106924	1	44	-1.0	-52.93	329.98	4.22	-48.71
COC1=CC=C2C(=C1)N(CCOC1=CC=CC=C1C(=O)[O-])CC2C	REAL300010106927	0	44	-1.0	-62.57	347.60	8.74	-53.83
COC1=CC=C2C(=C1)N(C1CCN(CC(=O)[O-])C1=O)CC2C	REAL300010106928	0	41	-1.0	-54.77	319.30	5.88	-48.89
C=CCCC(C)N(CCC1=CC=CC=N1)CCS(=O)(=O)CC(=O)[O-]	REAL300010106932	0	49	-1.0	-56.29	395.88	6.14	-50.15
C=CCCC(C)N(CCC1=CC=CC=N1)CC1=NC(C(=O)[O-])=CO1	REAL300010106939	1	46	-1.0	-53.26	370.05	5.71	-47.55
N#CC1CN(CCOC2=CC=CC=C2C(=O)[O-])CCC1(F)F	REAL300010106944	0	37	-1.0	-55.63	313.37	7.32	-48.31
N#CC1CN(CC2(O)CCC(C(=O)[O-])CC2)CCC1(F)F	REAL300010106945	0	40	-1.0	-50.12	311.65	5.39	-44.73
O=C([O-])CS(=O)(=O)CCN1CC[C@H]2CCNC(=O)[C@H]2C1	REAL300010106947	0	39	-1.0	-61.45	311.18	0.02	-61.43
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(CC3=CC=CC=C3)=NO2)C1	REAL300010613029	1	51	-1.0	-52.15	393.78	5.73	-46.42
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC=CN2C(F)F)C1	REAL300010613055	1	43	-1.0	-52.76	330.83	5.06	-47.70
CC(C1=NN=NN1C1=CC=CC=C1)N1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613066	1	51	-1.0	-57.60	382.43	5.77	-51.83
O=C([O-])C1(C2CCOCC2)CCN(CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300010613078	1	49	-1.0	-58.97	374.13	6.23	-52.74
CC1=NN=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)N1C	REAL300010613079	1	45	-1.0	-50.35	323.11	4.64	-45.71
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)O1	REAL300010613080	1	51	-1.0	-52.42	390.89	2.23	-50.19
CC1=CC=CC(C)=C1N1N=NN=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613109	1	54	-1.0	-52.80	409.30	7.43	-45.37
CC(C)C1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=NO1	REAL300010613116	0	47	-1.0	-53.53	353.72	3.26	-50.27
CCCCC1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=NO1	REAL300010613117	0	50	-1.0	-53.11	375.90	4.22	-48.89
CC(C)CCC1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613127	1	53	-1.0	-51.42	394.44	4.79	-46.63
O=C([O-])C1(C2CCOCC2)CCN(CC2=CN3C=C(Cl)C=C(Cl)C3=N2)C1	REAL300010613154	1	46	-1.0	-49.80	372.56	7.58	-42.22
COC1=CC=CC(S(=O)(=O)CCN2CCC(C(=O)[O-])(C3CCOCC3)C2)=C1	REAL300010613163	1	53	-1.0	-58.16	408.39	3.48	-54.68
CC(C)(C)N1N=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613181	0	50	-1.0	-51.37	367.50	3.64	-47.73
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC=CN2CC(F)(F)F)C1	REAL300010613187	0	46	-1.0	-50.47	358.37	5.99	-44.48
COCCC1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613194	1	48	-1.0	-50.93	367.55	1.80	-49.13
COCC1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613230	1	45	-1.0	-53.90	346.05	1.09	-52.81
O=C([O-])C1(C2CCOCC2)CCN(CC2=NN=C(C3CC3)S2)C1	REAL300010613257	1	45	-1.0	-51.19	353.30	4.91	-46.28
CC1=NN=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)S1	REAL300010613273	1	41	-1.0	-53.95	312.56	2.88	-51.07
CCOC(C)C1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=CS1	REAL300010613303	1	52	-1.0	-55.39	401.38	4.89	-50.50
CCOC(C)C1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613304	1	51	-1.0	-46.18	385.38	2.56	-43.62
COCC1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=NO1	REAL300010613307	0	45	-1.0	-54.05	345.08	0.95	-53.10
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(CCC3=CC=CC=C3)=NO2)C1	REAL300010613308	1	54	-1.0	-52.02	415.28	6.52	-45.50
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(CC3=CC=C(F)C=C3)=NO2)C1	REAL300010613310	1	51	-1.0	-45.35	397.41	5.76	-39.59
CC(C)C1=NN=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)S1	REAL300010613321	1	47	-1.0	-53.21	354.67	4.23	-48.98
CS(=O)(=O)CC1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=CS1	REAL300010613347	0	48	-1.0	-59.50	379.07	1.62	-57.88
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(CC(F)(F)F)=NO2)C1	REAL300010613352	1	44	-1.0	-53.48	352.88	3.01	-50.47
O=C([O-])C1(C2CCOCC2)CCN(CCS(=O)(=O)C2=CC=CC=C2)C1	REAL300010613375	1	49	-1.0	-55.97	378.90	4.17	-51.80
O=C([O-])C1(C2CCOCC2)CCN(CC(F)(F)C(F)F)C1	REAL300010613376	0	39	-1.0	-48.10	301.11	4.51	-43.59
CS(=O)(=O)C1=CC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=CO1	REAL300010613392	1	46	-1.0	-57.69	363.05	2.02	-55.67
O=C([O-])C1(C2CCOCC2)CCN(CC2=NOC(C3CCC3)=N2)C1	REAL300010613412	0	48	-1.0	-47.06	357.73	3.93	-43.13
CC(C)(C)N1C=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)N=N1	REAL300010613418	1	51	-1.0	-61.38	376.40	4.89	-56.49
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(CC3CC3)=NO2)C1	REAL300010613423	1	48	-1.0	-44.95	361.51	4.05	-40.90
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC(C3CCC3)=NO2)C1	REAL300010613429	1	48	-1.0	-48.94	353.63	3.93	-45.01
CN1N=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)C=C1C(F)(F)F	REAL300010613475	0	46	-1.0	-48.75	354.32	4.62	-44.13
CN1N=C(C(F)(F)F)C=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613478	1	46	-1.0	-53.26	354.74	4.66	-48.60
CN1N=C(C(F)(F)F)C=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613480	1	46	-1.0	-53.26	354.74	4.66	-48.60
CC(C)OCC1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613498	1	51	-1.0	-54.13	388.18	2.80	-51.33
CN1N=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=C1C(F)F	REAL300010613500	1	45	-1.0	-52.08	341.12	3.48	-48.60
CC(C)(C)OCC1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=CS1	REAL300010613517	1	55	-1.0	-50.25	409.06	5.15	-45.10
COC1=CC(C)=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613529	1	48	-1.0	-53.40	363.39	2.78	-50.62
CC1=CC=C(N2N=NN=C2CN2CCC(C(=O)[O-])(C3CCOCC3)C2)C=C1	REAL300010613532	1	51	-1.0	-57.97	386.93	6.23	-51.74
CCOCC1=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=CS1	REAL300010613545	1	49	-1.0	-50.37	374.75	4.00	-46.37
O=C([O-])C1(C2CCOCC2)CCN(CC2=CSC(COCC(F)F)=N2)C1	REAL300010613557	1	49	-1.0	-55.08	387.77	4.32	-50.76
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC3=C(CCCC3)N2)C1	REAL300010613558	1	50	-1.0	-50.49	360.76	5.47	-45.02
COC(C)(C)C1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613561	1	51	-1.0	-46.24	376.80	1.99	-44.25
CCN1C=C(Br)C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613577	0	46	-1.0	-53.68	366.07	5.64	-48.04
O=C([O-])C1(C2CCOCC2)CCN(CC2=NN=C3CCCN23)C1	REAL300010613582	1	46	-1.0	-52.25	333.63	5.59	-46.66
O=C([O-])C1(C2CCOCC2)CCN(CC2=NN=C(C3CC3)N2C2=CC=CC=C2)C1	REAL300010613609	1	56	-1.0	-55.27	428.54	10.17	-45.10
CCN1N=CC(Br)=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613612	1	46	-1.0	-46.68	347.32	4.79	-41.89
CCN1C=NN=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613631	1	45	-1.0	-53.05	336.45	6.88	-46.17
O=C([O-])C1(C2CCOCC2)CCN(CC2=CN(C3CC3)N=N2)C1	REAL300010613633	1	46	-1.0	-62.02	347.13	4.49	-57.53
CN1N=NC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=C1C(F)(F)F	REAL300010613651	0	45	-1.0	-50.81	333.27	2.94	-47.87
COCC1=CC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=NO1	REAL300010613679	1	46	-1.0	-56.80	351.28	3.68	-53.12
CS(=O)(=O)C1=C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)SC=C1	REAL300010613686	0	46	-1.0	-64.64	363.18	3.05	-61.59
O=C([O-])C1(C2CCOCC2)CCN(CC2=NN=NN2C2=CC=C(F)C=C2)C1	REAL300010613687	1	48	-1.0	-56.43	372.00	5.62	-50.81
CCC(C1=NN=C[N-]1)[N@@H+]1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613706	1	45	-1.0	-49.36	327.59	6.79	-42.57
CCC(C1=NN=C[N-]1)[N@H+]1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613706	1	45	-1.0	-54.69	332.45	6.67	-48.02
CC(C)C1=NOC(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613716	1	47	-1.0	-44.54	351.91	3.14	-41.40
O=C([O-])C1(C2CCOCC2)CCN(CC2=NC=CN=C2C(F)(F)F)C1	REAL300010613734	1	44	-1.0	-49.34	340.36	4.41	-44.93
CN1C=C([N+](=O)[O-])C(CN2CCC(C(=O)[O-])(C3CCOCC3)C2)=N1	REAL300010613761	1	45	-1.0	-60.45	348.89	4.74	-55.71
CN1C([N+](=O)[O-])=CN=C1CN1CCC(C(=O)[O-])(C2CCOCC2)C1	REAL300010613766	0	45	-1.0	-50.08	346.75	6.21	-43.87
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CSC(COCC(F)F)=N2)C1	REAL300010765001	0	45	-1.0	-57.39	382.64	6.88	-50.51
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NC3=C(CCCC3)N2)C1	REAL300010765002	1	46	-1.0	-56.79	357.00	8.17	-48.62
COC(C)(C)C1=NOC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765005	0	47	-1.0	-55.95	367.70	4.50	-51.45
CCN1C=C(Br)C(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765021	0	42	-1.0	-55.63	354.39	7.89	-47.74
O=C([O-])C1=CC=CC=C1C1CCN(CC2CCS(=O)(=O)C2)C1	REAL300010765024	1	42	-1.0	-64.27	338.19	4.93	-59.34
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NN=C3CCCN23)C1	REAL300010765027	0	42	-1.0	-61.67	336.11	8.32	-53.35
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CN3C=CC=C(F)C3=N2)C1	REAL300010765029	1	42	-1.0	-57.46	341.34	9.28	-48.18
CC(C1=NC=CS1)N1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765032	1	38	-1.0	-53.68	320.15	6.94	-46.74
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NN(CCF)C=C2)C1	REAL300010765035	1	42	-1.0	-55.83	346.81	7.87	-47.96
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NN=C(C3CC3)N2C2=CC=CC=C2)C1	REAL300010765055	1	52	-1.0	-54.62	412.70	12.08	-42.54
CCN1N=CC(Br)=C1CN1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765058	1	42	-1.0	-50.89	353.93	7.92	-42.97
CCCN1C=CC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765062	1	45	-1.0	-56.56	361.72	8.50	-48.06
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CSC(C3=CC=CC=C3Cl)=N2)C1	REAL300010765069	1	45	-1.0	-54.31	382.65	9.91	-44.40
CCN1C=NN=C1CN1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765077	0	41	-1.0	-53.23	322.00	8.38	-44.85
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CN(C3CC3)N=N2)C1	REAL300010765079	1	42	-1.0	-53.94	334.54	6.61	-47.33
O=C([O-])C1=CC=CC=C1C1CCN(CC=CBr)C1	REAL300010765086	1	33	-1.0	-53.26	288.33	7.45	-45.81
CN1N=NC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=C1C(F)(F)F	REAL300010765096	0	41	-1.0	-56.17	341.61	6.20	-49.97
CC1=C(S(C)(=O)=O)C=C(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300010765097	1	45	-1.0	-61.57	375.22	5.50	-56.07
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010765098	1	42	-1.0	-51.62	359.23	10.19	-41.43
CC1=CC=NC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=C1Br	REAL300010765106	1	41	-1.0	-55.18	347.24	8.27	-46.91
CCC1=CSC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765118	1	41	-1.0	-56.71	335.17	7.27	-49.44
COCC1=CC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=NO1	REAL300010765123	1	42	-1.0	-56.46	344.82	6.36	-50.10
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NOC3=C2CCCCC3)C1	REAL300010765127	1	48	-1.0	-52.59	361.77	9.22	-43.37
CS(=O)(=O)C1=C(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)SC=C1	REAL300010765129	0	42	-1.0	-57.56	358.99	5.81	-51.75
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NN=NN2C2=CC=C(F)C=C2)C1	REAL300010765130	0	44	-1.0	-53.04	367.33	9.12	-43.92
CCC1=CC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=NO1	REAL300010765131	1	41	-1.0	-52.73	333.81	7.87	-44.86
CC(C)=C(Br)CN1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765133	1	39	-1.0	-50.26	322.05	8.24	-42.02
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CSC(C(F)(F)F)=C2)C1	REAL300010765145	1	39	-1.0	-52.70	345.05	9.13	-43.57
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765148	1	51	-1.0	-54.38	413.77	11.04	-43.34
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NOC(CC3=CC=CC=C3)=C2)C1	REAL300010765151	1	48	-1.0	-53.73	393.75	10.89	-42.84
CC1=NC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=CC=C1Br	REAL300010765156	1	41	-1.0	-53.91	348.98	8.48	-45.43
CC(C)C1=NOC(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765159	0	43	-1.0	-53.72	342.82	5.64	-48.08
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NN(CC3=CC=CC=C3)C=C2)C1	REAL300010765170	1	49	-1.0	-57.79	400.11	10.74	-47.05
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CC(Cl)=CC(Br)=C2)C1	REAL300010765174	1	39	-1.0	-50.56	353.90	10.25	-40.31
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NOC(C3CCCC3)=C2)C1	REAL300010765178	1	48	-1.0	-51.90	370.51	9.44	-42.46
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NC=CN=C2C(F)(F)F)C1	REAL300010765179	1	40	-1.0	-55.41	334.08	7.12	-48.29
CN1C=C(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010765200	1	42	-1.0	-55.28	358.66	7.97	-47.31
O=C([O-])C1=CC=CC=C1C1CCN(CC2=CC=CN=C2Br)C1	REAL300010765203	1	38	-1.0	-61.43	328.64	7.98	-53.45
CN1C=C([N+](=O)[O-])C(CN2CCC(C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300010765206	0	41	-1.0	-63.56	344.73	7.32	-56.24
CN1C([N+](=O)[O-])=CN=C1CN1CCC(C2=CC=CC=C2C(=O)[O-])C1	REAL300010765211	0	41	-1.0	-55.51	329.49	8.11	-47.40
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010765213	0	31	-1.0	-53.22	282.51	5.89	-47.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010765214	0	25	-1.0	-43.98	254.08	4.17	-39.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010765215	0	25	-1.0	-53.69	243.13	3.97	-49.72
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765216	0	34	-1.0	-53.12	311.20	5.14	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Br	REAL300010765217	0	25	-1.0	-49.00	260.87	4.34	-44.66
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765218	0	31	-1.0	-41.71	288.27	4.29	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010765219	0	41	-1.0	-56.32	362.93	1.12	-55.20
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765220	0	42	-1.0	-55.49	371.33	3.26	-52.23
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765221	0	36	-1.0	-55.72	330.14	1.55	-54.17
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765222	0	35	-1.0	-57.41	316.75	2.57	-54.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010765223	0	27	-1.0	-48.92	267.83	4.50	-44.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010765224	0	25	-1.0	-49.05	261.98	4.46	-44.59
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010765225	0	25	-1.0	-39.23	273.60	5.34	-33.89
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765226	0	29	-1.0	-45.83	282.67	3.52	-42.31
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765227	0	36	-1.0	-59.28	312.52	2.35	-56.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010765228	0	31	-1.0	-48.25	311.77	5.60	-42.65
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)OC)=C1	REAL300010765229	0	37	-1.0	-55.97	343.48	4.87	-51.10
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765230	0	37	-1.0	-66.78	334.86	5.91	-60.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010765231	0	28	-1.0	-53.48	277.63	5.42	-48.06
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010765232	0	28	-1.0	-41.65	272.27	4.74	-36.91
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1NC(C)=O	REAL300010765233	0	36	-1.0	-55.95	316.55	1.88	-54.07
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010765234	0	29	-1.0	-50.39	280.55	3.34	-47.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010765235	0	34	-1.0	-46.11	295.54	3.49	-42.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010765236	0	22	-1.0	-50.34	247.57	3.30	-47.04
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1Cl	REAL300010765237	0	31	-1.0	-41.45	283.57	5.81	-35.64
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765238	0	29	-1.0	-55.54	277.75	4.08	-51.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765239	0	43	-1.0	-44.29	330.27	7.20	-37.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010765240	0	41	-1.0	-53.17	336.43	7.35	-45.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010765241	0	35	-1.0	-55.60	331.81	3.13	-52.47
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765242	0	32	-1.0	-56.58	308.27	1.74	-54.84
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765243	0	35	-1.0	-56.11	297.10	2.87	-53.24
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010765244	0	22	-1.0	-48.55	250.49	3.54	-45.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010765245	0	35	-1.0	-46.17	306.92	6.96	-39.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010765246	0	28	-1.0	-49.95	278.35	4.82	-45.13
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010765247	0	25	-1.0	-39.23	269.03	5.23	-34.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010765248	0	25	-1.0	-49.20	261.25	4.15	-45.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010765249	0	28	-1.0	-53.41	273.00	4.48	-48.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010765250	0	25	-1.0	-38.78	260.43	4.11	-34.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010765251	0	28	-1.0	-42.33	288.26	5.05	-37.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010765252	0	28	-1.0	-42.51	277.09	4.61	-37.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010765253	0	28	-1.0	-53.49	267.30	4.98	-48.51
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010765254	0	36	-1.0	-48.01	338.24	6.94	-41.07
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010765255	0	25	-1.0	-48.92	249.54	4.03	-44.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765256	0	31	-1.0	-51.96	284.68	4.13	-47.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010765257	0	28	-1.0	-48.67	294.60	5.16	-43.51
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010765258	0	25	-1.0	-42.53	259.77	4.22	-38.31
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010765259	0	40	-1.0	-53.27	352.75	5.68	-47.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Br	REAL300010765260	0	25	-1.0	-48.82	264.43	4.58	-44.24
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765261	0	32	-1.0	-47.51	302.91	3.07	-44.44
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010765262	0	41	-1.0	-55.52	336.92	6.47	-49.05
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1Cl	REAL300010765263	0	28	-1.0	-44.36	270.98	5.33	-39.03
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010765264	0	28	-1.0	-39.31	286.89	5.20	-34.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010765265	0	35	-1.0	-55.93	297.28	4.92	-51.01
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(N)=O	REAL300010765266	0	33	-1.0	-46.96	294.56	0.94	-46.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010765267	0	43	-1.0	-48.45	369.85	3.55	-44.90
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765268	0	32	-1.0	-63.56	290.58	2.37	-61.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765269	0	31	-1.0	-54.14	306.08	4.71	-49.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010765270	0	24	-1.0	-53.54	251.13	2.29	-51.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010765271	0	34	-1.0	-67.02	319.60	1.75	-65.27
CC(=O)NC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010765272	0	32	-1.0	-46.84	294.76	2.57	-44.27
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010765273	0	39	-1.0	-56.24	325.23	5.15	-51.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010765274	0	25	-1.0	-49.28	245.98	3.78	-45.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010765275	0	36	-1.0	-53.51	317.29	3.08	-50.43
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010765276	0	28	-1.0	-56.41	279.00	4.94	-51.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010765277	0	25	-1.0	-41.62	268.86	4.63	-36.99
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765278	0	38	-1.0	-62.77	338.27	3.33	-59.44
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765279	0	39	-1.0	-62.43	338.65	2.47	-59.96
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765280	0	33	-1.0	-54.49	294.87	6.06	-48.43
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765281	0	41	-1.0	-53.11	346.48	5.87	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010765282	0	39	-1.0	-52.19	328.01	5.77	-46.42
CC(C)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765283	0	38	-1.0	-53.25	327.52	5.27	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010765284	0	29	-1.0	-44.99	288.03	3.68	-41.31
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300010765285	0	38	-1.0	-44.40	322.10	5.14	-39.26
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765286	0	36	-1.0	-55.95	319.54	3.04	-52.91
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765287	0	36	-1.0	-57.05	323.49	3.21	-53.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010765288	0	40	-1.0	-56.84	340.68	3.05	-53.79
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010765289	0	28	-1.0	-52.01	261.00	4.38	-47.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010765290	0	31	-1.0	-61.44	300.32	1.35	-60.09
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765291	0	31	-1.0	-63.10	296.91	5.77	-57.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)N(C)C(=O)N2C	REAL300010765292	0	35	-1.0	-51.50	319.57	4.66	-46.84
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765293	0	31	-1.0	-53.96	310.65	4.81	-49.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010765294	0	29	-1.0	-50.91	283.93	4.60	-46.31
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765295	0	42	-1.0	-57.42	372.59	2.73	-54.69
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC	REAL300010765296	0	35	-1.0	-49.44	314.83	4.26	-45.18
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765297	0	34	-1.0	-44.77	303.55	4.76	-40.01
CN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010765298	0	35	-1.0	-59.22	307.29	-0.75	-59.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010765299	0	34	-1.0	-57.10	301.43	3.62	-53.48
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010765300	0	34	-1.0	-55.96	299.61	4.76	-51.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010765301	0	38	-1.0	-58.66	332.14	6.16	-52.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010765302	0	33	-1.0	-65.74	300.43	2.99	-62.75
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1Cl	REAL300010765303	0	32	-1.0	-48.72	310.23	3.34	-45.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010765304	0	32	-1.0	-58.49	298.93	4.85	-53.64
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010765305	0	31	-1.0	-56.94	296.46	4.20	-52.74
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010765306	0	29	-1.0	-54.02	283.60	3.64	-50.38
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010765307	0	35	-1.0	-54.69	323.12	5.57	-49.12
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)O1	REAL300010765308	0	28	-1.0	-42.16	285.07	2.71	-39.45
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(Br)S1	REAL300010765309	0	25	-1.0	-49.58	257.04	3.85	-45.73
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010765310	0	33	-1.0	-59.60	272.77	6.03	-53.57
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765311	0	31	-1.0	-55.91	294.33	4.48	-51.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765312	0	34	-1.0	-61.52	301.78	1.51	-60.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010765313	0	29	-1.0	-56.09	282.87	5.49	-50.60
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765314	0	41	-1.0	-50.68	344.97	5.33	-45.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010765315	0	36	-1.0	-57.57	320.80	3.52	-54.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010765316	0	37	-1.0	-56.06	343.58	1.40	-54.66
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765317	0	33	-1.0	-56.60	311.18	-0.28	-56.88
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765318	0	35	-1.0	-62.03	330.06	2.51	-59.52
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010765319	0	28	-1.0	-55.76	291.15	5.32	-50.44
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C(C)N1	REAL300010765320	0	38	-1.0	-52.70	329.59	4.24	-48.46
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010765321	0	25	-1.0	-46.52	248.07	4.36	-42.16
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S2)=CS1	REAL300010765322	0	31	-1.0	-53.43	313.41	4.13	-49.30
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010765323	0	45	-1.0	-53.23	369.14	7.17	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010765324	0	35	-1.0	-52.73	330.01	3.13	-49.60
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010765325	0	25	-1.0	-43.27	260.54	4.65	-38.62
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765326	0	34	-1.0	-60.54	296.01	4.70	-55.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010765327	0	27	-1.0	-62.00	270.24	5.78	-56.22
COC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010765328	0	33	-1.0	-54.63	292.93	2.69	-51.94
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010765329	0	36	-1.0	-53.54	299.64	3.18	-50.36
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010765330	0	27	-1.0	-45.42	272.77	5.73	-39.69
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010765331	0	28	-1.0	-57.48	272.94	4.48	-53.00
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010765332	0	31	-1.0	-50.58	297.82	4.63	-45.95
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765333	0	28	-1.0	-41.44	272.26	4.75	-36.69
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010765334	0	29	-1.0	-51.17	275.52	0.55	-50.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010765335	0	31	-1.0	-41.54	271.40	5.57	-35.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010765336	0	30	-1.0	-51.61	289.13	5.56	-46.05
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765337	0	34	-1.0	-53.59	332.51	5.74	-47.85
CC1=C(Br)SC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765338	0	25	-1.0	-50.99	267.78	3.87	-47.12
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765339	0	30	-1.0	-50.49	299.33	5.36	-45.13
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(F)=C1F	REAL300010765340	0	31	-1.0	-49.68	300.19	4.29	-45.39
CN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010765341	0	43	-1.0	-52.30	321.00	5.26	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010765342	0	36	-1.0	-54.16	311.12	2.11	-52.05
CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Br	REAL300010765343	0	28	-1.0	-54.27	262.55	4.54	-49.73
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765344	0	31	-1.0	-63.21	293.26	4.79	-58.42
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010765345	0	31	-1.0	-42.55	288.28	4.29	-38.26
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765346	0	31	-1.0	-54.43	280.33	5.06	-49.37
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010765347	0	31	-1.0	-40.89	303.81	4.68	-36.21
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010765348	0	38	-1.0	-55.51	319.13	5.84	-49.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Br	REAL300010765349	0	31	-1.0	-58.59	300.30	1.24	-57.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010765350	0	39	-1.0	-45.98	350.94	5.63	-40.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010765351	0	27	-1.0	-46.62	277.19	4.68	-41.94
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765352	0	39	-1.0	-55.99	341.39	4.01	-51.98
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765353	0	41	-1.0	-53.17	350.41	6.13	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010765354	0	27	-1.0	-62.77	267.12	5.68	-57.09
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010765355	0	31	-1.0	-41.68	292.10	4.22	-37.46
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Cl)C=C1Cl	REAL300010765356	0	31	-1.0	-49.70	307.46	4.91	-44.79
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765357	0	35	-1.0	-60.26	311.12	4.11	-56.15
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765358	0	37	-1.0	-55.98	312.47	5.13	-50.85
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010765359	0	34	-1.0	-42.79	303.58	4.73	-38.06
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765360	0	31	-1.0	-57.54	288.98	4.13	-53.41
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010765361	0	31	-1.0	-48.64	279.62	5.32	-43.32
CN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010765362	0	24	-1.0	-40.48	249.13	2.36	-38.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010765363	0	29	-1.0	-50.56	290.95	5.01	-45.55
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765364	0	39	-1.0	-43.00	343.83	1.48	-41.52
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010765365	0	25	-1.0	-41.70	259.78	4.21	-37.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010765366	0	32	-1.0	-54.33	297.44	1.42	-52.91
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765367	0	28	-1.0	-40.78	261.44	4.70	-36.08
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010765368	0	29	-1.0	-41.91	282.68	3.53	-38.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010765369	0	33	-1.0	-44.62	311.68	0.32	-44.30
CCC(=O)NCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC	REAL300010765370	0	42	-1.0	-47.24	363.66	2.71	-44.53
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765371	0	29	-1.0	-52.15	269.06	3.02	-49.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765372	0	34	-1.0	-57.92	314.93	1.97	-55.95
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010765373	0	27	-1.0	-49.93	282.24	3.49	-46.44
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765374	0	30	-1.0	-60.80	280.80	4.24	-56.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010765375	0	26	-1.0	-50.44	276.70	4.55	-45.89
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765376	0	32	-1.0	-45.69	304.53	4.45	-41.24
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010765377	0	30	-1.0	-50.59	284.64	-0.96	-51.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010765378	0	39	-1.0	-46.45	345.80	5.52	-40.93
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765379	0	30	-1.0	-61.33	293.92	4.04	-57.29
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765380	0	41	-1.0	-62.85	371.02	2.22	-60.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010765381	0	35	-1.0	-56.17	314.21	4.49	-51.68
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765382	0	33	-1.0	-54.78	309.36	-0.28	-55.06
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765383	0	34	-1.0	-64.08	306.47	5.36	-58.72
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010765384	0	46	-1.0	-61.09	374.32	3.89	-57.20
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765385	0	46	-1.0	-60.66	378.41	4.03	-56.63
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765386	0	37	-1.0	-52.86	332.70	5.93	-46.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010765387	0	43	-1.0	-47.27	369.85	3.55	-43.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010765388	0	31	-1.0	-53.29	287.63	3.14	-50.15
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010765389	0	31	-1.0	-41.39	294.03	5.25	-36.14
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300010765390	0	31	-1.0	-55.68	321.69	4.90	-50.78
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765391	0	28	-1.0	-53.97	262.55	4.65	-49.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010765392	0	41	-1.0	-60.34	349.70	4.48	-55.86
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010765393	0	33	-1.0	-52.08	301.83	3.18	-48.90
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OCC	REAL300010765394	0	39	-1.0	-44.99	335.19	4.60	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010765395	0	30	-1.0	-57.40	288.81	-1.50	-58.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010765396	0	36	-1.0	-49.19	310.55	4.67	-44.52
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010765397	0	39	-1.0	-60.17	327.13	5.22	-54.95
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010765398	0	33	-1.0	-52.05	285.95	5.16	-46.89
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010765399	0	36	-1.0	-59.45	312.87	4.61	-54.84
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2CC1C	REAL300010765400	0	39	-1.0	-59.00	328.54	5.16	-53.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010765401	0	29	-1.0	-42.76	289.43	4.74	-38.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010765402	0	31	-1.0	-43.20	289.30	0.54	-42.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010765403	0	31	-1.0	-44.95	283.49	0.77	-44.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010765404	0	31	-1.0	-53.03	291.37	1.08	-51.95
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010765405	0	31	-1.0	-65.15	282.97	4.57	-60.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010765406	0	29	-1.0	-56.19	272.97	3.94	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010765407	0	30	-1.0	-54.06	287.01	-1.50	-55.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010765408	0	37	-1.0	-44.31	340.25	1.35	-42.96
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010765409	0	31	-1.0	-59.54	289.47	-0.04	-59.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010765410	0	31	-1.0	-59.68	295.27	1.07	-58.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010765411	0	32	-1.0	-54.02	299.60	2.84	-51.18
CN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010765412	0	33	-1.0	-55.02	301.02	5.13	-49.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010765413	0	31	-1.0	-57.28	288.10	3.53	-53.75
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765414	0	33	-1.0	-67.21	292.66	6.68	-60.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1	REAL300010765415	0	34	-1.0	-49.27	342.72	4.98	-44.29
CCOC(=O)C1CCCN(S(=O)(=O)N(C)CC(=O)[O-])C1	REAL300010765416	0	39	-1.0	-56.25	328.90	4.25	-52.00
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765417	0	29	-1.0	-48.63	294.27	4.70	-43.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010765418	0	29	-1.0	-43.84	278.72	3.33	-40.51
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765419	0	36	-1.0	-47.55	328.36	1.56	-45.99
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010765420	0	27	-1.0	-63.60	271.12	5.96	-57.64
CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010765421	0	37	-1.0	-64.05	319.89	2.91	-61.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010765422	0	35	-1.0	-59.04	303.12	7.37	-51.67
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765423	0	34	-1.0	-52.02	309.38	5.13	-46.89
CCOC(=O)N1CCC(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010765424	0	39	-1.0	-42.32	318.84	3.30	-39.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010765425	0	25	-1.0	-50.93	255.86	4.17	-46.76
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765426	0	32	-1.0	-56.11	299.46	5.00	-51.11
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010765427	0	28	-1.0	-42.39	284.66	4.97	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010765428	0	28	-1.0	-51.60	278.40	4.84	-46.76
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=CO1	REAL300010765429	0	34	-1.0	-51.54	309.14	2.61	-48.93
COC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C2S1	REAL300010765430	0	34	-1.0	-58.07	317.71	6.22	-51.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010765431	0	33	-1.0	-54.23	299.62	2.93	-51.30
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765432	0	34	-1.0	-59.62	311.53	4.99	-54.63
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N2)C=C1	REAL300010765433	0	35	-1.0	-53.64	316.54	5.35	-48.29
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010765434	0	36	-1.0	-71.30	314.48	4.70	-66.60
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300010765435	0	39	-1.0	-43.12	330.39	2.95	-40.17
CC1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300010765436	0	33	-1.0	-42.06	306.54	4.67	-37.39
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010765437	0	39	-1.0	-50.52	349.49	6.15	-44.37
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N1	REAL300010765438	0	36	-1.0	-58.17	321.71	4.32	-53.85
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010765439	0	31	-1.0	-50.62	305.23	4.62	-46.00
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765440	0	35	-1.0	-59.78	301.94	3.76	-56.02
CC(=O)NC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010765441	0	35	-1.0	-52.94	307.65	3.34	-49.60
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765442	0	33	-1.0	-40.02	282.25	5.53	-34.49
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010765443	0	34	-1.0	-50.11	319.68	5.55	-44.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010765444	0	31	-1.0	-52.74	293.79	1.21	-51.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010765445	0	33	-1.0	-56.80	299.45	3.02	-53.78
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765446	0	34	-1.0	-59.06	312.51	4.98	-54.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010765447	0	36	-1.0	-55.03	309.43	3.71	-51.32
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765448	0	34	-1.0	-45.74	309.80	4.89	-40.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010765449	0	36	-1.0	-54.31	318.19	7.70	-46.61
COC(=O)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765450	0	35	-1.0	-59.25	320.42	4.47	-54.78
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765451	0	38	-1.0	-56.18	341.38	4.62	-51.56
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010765452	0	28	-1.0	-56.94	262.55	5.14	-51.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010765453	0	27	-1.0	-61.59	274.81	5.88	-55.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010765454	0	27	-1.0	-46.71	267.98	4.42	-42.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010765455	0	22	-1.0	-54.08	246.38	3.21	-50.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010765456	0	33	-1.0	-44.75	293.22	2.63	-42.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010765457	0	24	-1.0	-47.82	257.25	2.60	-45.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010765458	0	27	-1.0	-41.19	277.17	4.68	-36.51
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765459	0	34	-1.0	-54.57	309.67	1.98	-52.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010765460	0	32	-1.0	-45.10	303.68	4.24	-40.86
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010765461	0	27	-1.0	-63.27	275.68	6.06	-57.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010765462	0	39	-1.0	-45.91	344.02	6.83	-39.08
CN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010765463	0	40	-1.0	-52.29	311.01	5.87	-46.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010765464	0	33	-1.0	-62.80	307.78	0.19	-62.61
CCOC(=O)N1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010765465	0	38	-1.0	-45.37	321.83	2.41	-42.96
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010765466	0	34	-1.0	-55.77	309.88	4.68	-51.09
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010765467	0	35	-1.0	-53.62	319.94	5.14	-48.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765468	0	47	-1.0	-53.79	371.49	6.46	-47.33
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765469	0	31	-1.0	-53.26	294.32	4.37	-48.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010765470	0	33	-1.0	-58.55	308.14	0.26	-58.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010765471	0	31	-1.0	-44.48	297.86	1.10	-43.38
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765472	0	32	-1.0	-55.68	295.96	4.65	-51.03
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010765473	0	37	-1.0	-46.02	323.51	5.08	-40.94
CC1=CN(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2F)N=C1	REAL300010765474	0	35	-1.0	-45.03	317.37	5.58	-39.45
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765475	0	32	-1.0	-57.08	312.36	2.71	-54.37
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765476	0	30	-1.0	-51.79	283.86	5.02	-46.77
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010765477	0	31	-1.0	-44.10	284.31	4.83	-39.27
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010765478	0	22	-1.0	-48.46	255.12	3.64	-44.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010765479	0	37	-1.0	-46.18	321.27	5.40	-40.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010765480	0	25	-1.0	-53.41	255.55	4.11	-49.30
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010765481	0	31	-1.0	-40.63	287.17	5.08	-35.55
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010765482	0	31	-1.0	-56.09	306.80	4.34	-51.75
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765483	0	32	-1.0	-45.86	299.89	4.12	-41.74
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010765484	0	28	-1.0	-40.72	281.60	4.89	-35.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300010765485	0	36	-1.0	-57.38	351.39	1.01	-56.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010765486	0	34	-1.0	-56.10	316.11	6.39	-49.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010765487	0	27	-1.0	-49.33	267.80	4.39	-44.94
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765488	0	31	-1.0	-63.38	286.58	5.32	-58.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010765489	0	37	-1.0	-55.11	329.32	2.05	-53.06
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C2S1	REAL300010765490	0	39	-1.0	-50.70	358.39	5.20	-45.50
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010765491	0	32	-1.0	-56.56	303.70	4.11	-52.45
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010765492	0	25	-1.0	-51.57	260.90	4.45	-47.12
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765493	0	33	-1.0	-47.27	305.53	3.42	-43.85
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010765494	0	33	-1.0	-50.40	303.64	0.99	-49.41
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765495	0	34	-1.0	-52.73	316.18	5.30	-47.43
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)C=C1F	REAL300010765496	0	31	-1.0	-49.24	302.38	4.67	-44.57
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010765497	0	34	-1.0	-41.54	313.96	5.15	-36.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010765498	0	33	-1.0	-64.60	297.82	4.64	-59.96
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765499	0	42	-1.0	-56.79	376.37	3.54	-53.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010765500	0	28	-1.0	-51.74	289.60	5.51	-46.23
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010765501	0	31	-1.0	-55.51	297.45	6.30	-49.21
CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010765502	0	28	-1.0	-52.28	282.78	5.26	-47.02
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010765503	0	31	-1.0	-48.46	279.94	6.41	-42.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010765504	0	31	-1.0	-57.32	285.60	6.07	-51.25
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765505	0	29	-1.0	-51.11	288.64	3.82	-47.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010765506	0	22	-1.0	-51.16	263.69	3.84	-47.32
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2O1	REAL300010765507	0	39	-1.0	-55.78	347.45	5.81	-49.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010765508	0	31	-1.0	-46.36	297.86	1.10	-45.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010765509	0	38	-1.0	-50.31	340.18	5.12	-45.19
CN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010765510	0	36	-1.0	-47.70	331.23	0.58	-47.12
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765511	0	30	-1.0	-49.82	281.63	5.02	-44.80
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765512	0	31	-1.0	-63.06	295.23	5.77	-57.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010765513	0	31	-1.0	-58.08	293.45	1.07	-57.01
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010765514	0	41	-1.0	-58.55	353.54	1.26	-57.29
CCOC(=O)C1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010765515	0	39	-1.0	-42.90	326.81	4.28	-38.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010765516	0	40	-1.0	-47.75	354.67	2.69	-45.06
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765517	0	35	-1.0	-61.25	311.22	3.25	-58.00
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765518	0	34	-1.0	-54.58	299.79	5.28	-49.30
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765519	0	44	-1.0	-64.56	356.73	7.52	-57.04
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010765520	0	28	-1.0	-56.49	284.61	5.21	-51.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765521	0	32	-1.0	-57.23	304.08	3.01	-54.22
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765522	0	29	-1.0	-51.32	286.22	3.71	-47.61
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765523	0	37	-1.0	-57.82	314.01	2.11	-55.71
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765524	0	34	-1.0	-62.73	319.68	6.48	-56.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010765525	0	36	-1.0	-53.24	339.98	6.90	-46.34
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010765526	0	34	-1.0	-43.35	292.77	4.71	-38.64
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010765527	0	27	-1.0	-48.07	284.08	4.84	-43.23
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765528	0	29	-1.0	-48.49	286.70	4.29	-44.20
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=C1	REAL300010765529	0	39	-1.0	-52.83	344.68	7.07	-45.76
CN(CCS(=O)(=O)N(C)CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010765530	0	39	-1.0	-47.11	357.83	2.48	-44.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010765531	0	25	-1.0	-50.77	262.35	4.65	-46.12
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010765532	0	42	-1.0	-48.28	379.51	5.19	-43.09
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C(=O)OC)S1	REAL300010765533	0	34	-1.0	-60.72	331.91	4.78	-55.94
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010765534	0	25	-1.0	-54.84	265.41	3.65	-51.19
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010765535	0	38	-1.0	-50.23	353.86	5.73	-44.50
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010765536	0	34	-1.0	-45.77	309.96	5.38	-40.39
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010765537	0	42	-1.0	-52.23	369.73	3.28	-48.95
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010765538	0	31	-1.0	-54.13	300.40	4.27	-49.86
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010765539	0	31	-1.0	-55.79	317.12	4.79	-51.00
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300010765540	0	31	-1.0	-59.23	321.69	4.89	-54.34
CC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765542	0	25	-1.0	-54.67	268.68	3.96	-50.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010765543	0	30	-1.0	-56.15	291.85	4.30	-51.85
CC1=C(Br)SC(S(=O)(=O)N(C)CC(=O)[O-])=N1	REAL300010765544	0	24	-1.0	-50.35	262.56	1.79	-48.56
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765545	0	30	-1.0	-50.06	273.68	4.68	-45.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010765546	0	29	-1.0	-45.44	285.44	2.40	-43.04
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010765547	0	33	-1.0	-47.34	296.14	5.41	-41.93
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010765548	0	33	-1.0	-58.68	307.42	5.76	-52.92
CC1=NN2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=NC2=C1Cl	REAL300010765549	0	30	-1.0	-49.81	294.25	3.51	-46.30
CCCCCCN1C=C(S(=O)(=O)N(C)CC(=O)[O-])C(=O)NC1=O	REAL300010765550	0	43	-1.0	-61.54	366.19	4.25	-57.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010765551	0	25	-1.0	-46.39	260.89	4.05	-42.34
CN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(=C32)C=C1	REAL300010765552	0	36	-1.0	-55.39	313.61	5.25	-50.14
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010765553	0	30	-1.0	-49.31	287.62	4.87	-44.44
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765554	0	31	-1.0	-63.06	284.90	5.32	-57.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010765555	0	43	-1.0	-60.67	372.75	1.89	-58.78
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010765556	0	40	-1.0	-60.84	351.25	1.10	-59.74
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765557	1	40	-1.0	-55.45	343.47	0.72	-54.73
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765558	0	39	-1.0	-43.66	354.66	2.00	-41.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300010765559	0	29	-1.0	-46.95	285.55	3.51	-43.44
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010765560	0	39	-1.0	-43.04	338.64	4.76	-38.28
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010765561	0	28	-1.0	-38.99	286.34	2.35	-36.64
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010765562	0	28	-1.0	-70.89	262.35	3.07	-67.82
CC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765563	0	28	-1.0	-52.06	261.00	4.38	-47.68
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765564	0	36	-1.0	-43.79	333.16	1.22	-42.57
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010765565	0	36	-1.0	-44.87	306.06	4.05	-40.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010765566	0	35	-1.0	-44.12	328.24	7.59	-36.53
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010765567	0	28	-1.0	-39.98	288.42	5.30	-34.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010765568	0	33	-1.0	-74.00	308.08	1.77	-72.23
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010765569	0	25	-1.0	-38.29	261.19	4.92	-33.37
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010765570	0	28	-1.0	-56.48	296.33	0.50	-55.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010765571	0	44	-1.0	-61.31	388.80	4.55	-56.76
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765572	0	39	-1.0	-60.38	369.28	1.21	-59.17
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010765573	0	34	-1.0	-60.70	324.81	3.52	-57.18
CC(=O)NC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765574	0	35	-1.0	-54.20	315.96	3.61	-50.59
CC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010765575	0	30	-1.0	-42.33	289.53	4.57	-37.76
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010765576	0	36	-1.0	-55.68	338.71	2.52	-53.16
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300010765577	0	38	-1.0	-56.58	332.91	6.18	-50.40
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010765578	0	29	-1.0	-57.66	293.48	5.01	-52.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010765579	0	34	-1.0	-64.44	300.21	7.37	-57.07
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010765580	0	38	-1.0	-49.20	309.36	4.18	-45.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010765581	0	31	-1.0	-50.12	302.58	1.66	-48.46
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765582	0	34	-1.0	-53.59	317.63	5.19	-48.40
CCC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010765583	0	34	-1.0	-45.01	296.40	3.37	-41.64
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010765584	0	42	-1.0	-61.80	345.84	5.39	-56.41
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765585	0	38	-1.0	-52.69	341.91	5.24	-47.45
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765586	0	29	-1.0	-51.78	283.47	4.13	-47.65
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010765587	0	45	-1.0	-49.05	344.03	5.00	-44.05
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010765588	0	42	-1.0	-52.81	357.37	5.72	-47.09
CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010765589	0	39	-1.0	-44.36	322.13	3.66	-40.70
CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010765590	0	36	-1.0	-42.47	328.00	4.20	-38.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765591	0	31	-1.0	-54.00	295.76	4.27	-49.73
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010768001	0	41	-1.0	-58.11	375.25	9.42	-48.69
CC(=O)NC1=NC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300010768002	0	41	-1.0	-59.12	380.41	5.65	-53.47
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300010768003	0	42	-1.0	-51.66	387.03	5.50	-46.16
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CBr	REAL300010768004	0	31	-1.0	-53.55	294.80	5.56	-47.99
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)OCC1CCCO1	REAL300010768005	0	42	-1.0	-50.09	351.93	9.02	-41.07
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768006	0	47	-1.0	-71.20	399.20	10.59	-60.61
CCCCCCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768007	0	49	-1.0	-56.95	401.97	9.55	-47.40
CC1CCCN(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300010768008	0	45	-1.0	-47.56	346.84	10.30	-37.26
CCOC1=CC=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300010768009	0	45	-1.0	-49.76	387.17	8.44	-41.32
CC1(C)CC2=CC=CC(S(=O)(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=C2O1	REAL300010768010	0	49	-1.0	-51.42	410.13	9.58	-41.84
COCCN(CCC#N)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768011	0	47	-1.0	-55.72	398.28	6.48	-49.24
CC(C#N)CN(C)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768012	0	43	-1.0	-54.83	364.57	6.85	-47.98
CCN(CCC#N)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768013	0	43	-1.0	-56.50	367.82	7.26	-49.24
CC1=CC=C(CCS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300010768014	0	47	-1.0	-44.37	400.47	10.38	-33.99
N#CC1CN(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCO1	REAL300010768015	0	42	-1.0	-54.30	363.39	5.33	-48.97
CCN(CC(C)C#N)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768016	0	46	-1.0	-55.63	379.54	8.15	-47.48
CN(CC(F)(F)F)C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768017	0	38	-1.0	-45.85	320.90	8.75	-37.10
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010768018	0	41	-1.0	-46.35	350.54	6.98	-39.37
CN(C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300010768019	0	45	-1.0	-50.69	345.29	10.20	-40.49
CN(C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCOCC1	REAL300010768020	0	46	-1.0	-49.09	352.72	8.41	-40.68
CC(CC#N)N(C)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768021	0	43	-1.0	-66.37	366.10	7.06	-59.31
COCCOCCOCCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768022	0	52	-1.0	-59.06	439.11	5.27	-53.79
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CC1(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1(Cl)Cl	REAL300010768194	0	41	-1.0	-42.85	375.52	9.04	-33.81
CN1C=NN=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768195	0	37	-1.0	-45.05	330.04	7.25	-37.80
CCS(=O)(CC)=NS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768196	0	44	-1.0	-72.50	375.45	5.53	-66.97
CC1=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010768197	0	40	-1.0	-45.71	365.05	9.13	-36.58
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010768198	0	46	-1.0	-59.35	384.01	7.43	-51.92
CCN1CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1=O	REAL300010768199	0	45	-1.0	-43.81	376.65	6.71	-37.10
CN(C)C1(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300010768200	0	46	-1.0	-60.00	378.68	6.90	-53.10
CCOC(=O)C1(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCC1	REAL300010768201	0	47	-1.0	-56.70	378.78	8.60	-48.10
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1CCC1(F)F	REAL300010768202	0	41	-1.0	-46.12	358.20	8.14	-37.98
COC(=O)C1=CC=C(CS(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300010768203	0	47	-1.0	-59.80	409.20	9.34	-50.46
CN1N=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1C(F)(F)F	REAL300010768204	0	41	-1.0	-54.79	372.85	6.78	-48.01
CN1N=C2CCCCC2=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768205	0	48	-1.0	-46.75	391.22	8.15	-38.60
CN1C=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C(C)(C)C)=N1	REAL300010768206	0	50	-1.0	-44.15	401.95	8.31	-35.84
CCC(C)(C)CCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768207	0	49	-1.0	-56.90	385.43	8.64	-48.26
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010768208	0	48	-1.0	-54.80	402.87	8.51	-46.29
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768209	0	41	-1.0	-50.94	353.57	6.66	-44.28
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010768210	0	40	-1.0	-41.22	370.52	7.28	-33.94
COC1=CC=C(F)C=C1CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768211	0	45	-1.0	-60.15	393.07	8.33	-51.82
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C=CCCC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300010768213	0	48	-1.0	-55.00	412.12	10.95	-44.05
COC(=O)C1=CNN=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768214	0	41	-1.0	-66.57	369.39	5.83	-60.74
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CC(=O)C1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1F	REAL300010768216	0	43	-1.0	-56.36	382.16	8.75	-47.61
CC(C)(C)S(C)(=O)=NS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768217	0	47	-1.0	-70.83	394.61	5.96	-64.87
CC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(C#N)=C1	REAL300010768218	0	42	-1.0	-62.90	374.65	9.28	-53.62
CC1=CC=CC(C#N)=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768219	0	42	-1.0	-44.67	358.67	9.06	-35.61
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010768220	0	41	-1.0	-54.71	374.09	9.13	-45.58
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010768221	0	42	-1.0	-53.99	385.75	9.97	-44.02
N#CCCC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300010768222	0	45	-1.0	-60.47	398.66	10.13	-50.34
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768223	0	44	-1.0	-41.59	372.16	9.98	-31.61
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010768224	0	48	-1.0	-64.12	416.85	10.11	-54.01
CC1=CN=C(Cl)C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300010768225	0	40	-1.0	-55.42	358.66	7.26	-48.16
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)CCCC1CC1	REAL300010768226	0	44	-1.0	-57.78	373.19	9.01	-48.77
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=NS1	REAL300010768227	0	34	-1.0	-40.58	322.81	5.91	-34.67
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300010768228	0	48	-1.0	-58.34	409.30	10.50	-47.84
CC(C)(CCS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300010768229	0	50	-1.0	-57.59	399.02	9.63	-47.96
CCOC(=O)C1=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])N(C)N=C1	REAL300010768230	0	47	-1.0	-50.18	401.97	8.02	-42.16
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CC1(C)CCCN(C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300010768302	0	48	-1.0	-45.30	360.12	11.01	-34.29
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CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010768544	0	37	-1.0	-43.85	311.41	2.72	-41.13
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010768545	0	33	-1.0	-41.38	292.93	3.98	-37.40
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)S1	REAL300010768546	0	25	-1.0	-50.99	264.34	2.65	-48.34
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1Cl	REAL300010768547	0	34	-1.0	-40.29	303.62	5.15	-35.14
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768548	0	32	-1.0	-56.70	301.28	3.38	-53.32
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768549	0	46	-1.0	-42.90	350.48	6.61	-36.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010768550	0	44	-1.0	-42.82	350.51	6.61	-36.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010768551	0	31	-1.0	-39.55	287.42	3.79	-35.76
COC1=CC=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768552	0	36	-1.0	-60.07	309.47	2.04	-58.03
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010768553	0	36	-1.0	-54.09	309.64	2.11	-51.98
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010768554	0	38	-1.0	-44.39	346.08	2.40	-41.99
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768555	0	35	-1.0	-57.08	325.35	1.09	-55.99
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768556	0	38	-1.0	-48.93	316.18	2.48	-46.45
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010768557	0	25	-1.0	-49.71	274.60	3.13	-46.58
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768558	0	43	-1.0	-42.29	352.31	6.32	-35.97
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010768559	0	38	-1.0	-44.87	322.88	6.20	-38.67
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010768560	0	31	-1.0	-39.13	298.10	4.29	-34.84
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010768561	0	28	-1.0	-38.06	285.51	4.49	-33.57
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768562	0	43	-1.0	-43.15	339.16	5.59	-37.56
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010768563	1	28	-1.0	-38.59	279.51	3.52	-35.07
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010768564	0	31	-1.0	-53.89	296.04	4.01	-49.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010768565	0	28	-1.0	-49.33	284.29	3.67	-45.66
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010768566	0	31	-1.0	-48.92	306.36	4.41	-44.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010768567	0	31	-1.0	-49.24	295.18	3.97	-45.27
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010768568	0	31	-1.0	-40.49	276.05	4.20	-36.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010768569	0	39	-1.0	-47.49	354.20	6.18	-41.31
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010768570	0	28	-1.0	-38.92	268.67	3.51	-35.41
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768571	0	34	-1.0	-41.01	303.40	3.71	-37.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010768572	0	31	-1.0	-38.53	308.73	4.39	-34.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010768573	0	28	-1.0	-49.05	277.92	3.58	-45.47
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)C=C1	REAL300010768574	0	43	-1.0	-44.21	367.03	4.95	-39.26
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010768575	0	35	-1.0	-55.27	321.08	2.42	-52.85
CC(C)OC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010768576	0	44	-1.0	-55.67	360.89	6.23	-49.44
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1Cl	REAL300010768577	0	31	-1.0	-42.10	287.44	4.55	-37.55
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010768578	0	31	-1.0	-38.88	302.60	4.50	-34.38
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010768579	0	38	-1.0	-56.25	320.92	4.67	-51.58
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(N)=O	REAL300010768580	0	35	-1.0	-53.44	301.49	0.36	-53.08
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(N)=O	REAL300010768581	0	36	-1.0	-55.93	312.71	0.27	-55.66
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010768582	0	46	-1.0	-48.20	385.85	2.79	-45.41
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768583	0	33	-1.0	-38.56	288.72	4.26	-34.30
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010768584	0	35	-1.0	-54.59	308.20	1.73	-52.86
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768585	0	33	-1.0	-44.78	283.07	4.08	-40.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768586	0	34	-1.0	-41.59	320.23	3.93	-37.66
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010768587	0	27	-1.0	-53.60	261.18	2.75	-50.85
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010768588	0	37	-1.0	-53.36	333.88	1.02	-52.34
CC(=O)NC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1F	REAL300010768589	0	35	-1.0	-61.99	312.59	1.91	-60.08
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C21	REAL300010768590	0	42	-1.0	-60.56	340.36	4.37	-56.19
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1C	REAL300010768591	0	38	-1.0	-42.60	305.69	3.49	-39.11
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010768592	0	28	-1.0	-37.83	268.48	3.50	-34.33
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010768593	0	39	-1.0	-42.06	332.00	2.28	-39.78
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010768594	0	31	-1.0	-56.56	294.50	4.36	-52.20
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010768595	0	28	-1.0	-49.05	287.04	3.99	-45.06
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768596	0	41	-1.0	-48.79	352.56	2.60	-46.19
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768597	0	42	-1.0	-63.38	362.17	1.77	-61.61
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768598	0	36	-1.0	-37.64	306.38	5.12	-32.52
COCCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768599	0	38	-1.0	-42.80	325.42	3.32	-39.48
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768600	0	44	-1.0	-42.60	360.59	5.12	-37.48
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010768601	0	42	-1.0	-43.33	343.34	5.01	-38.32
CC(C)COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768602	0	41	-1.0	-42.66	341.62	4.51	-38.15
CCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768603	0	38	-1.0	-42.67	321.52	3.81	-38.86
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010768604	0	32	-1.0	-52.38	296.43	2.77	-49.61
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010768605	0	32	-1.0	-52.58	306.18	3.04	-49.54
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300010768606	0	41	-1.0	-53.10	340.24	4.49	-48.61
COCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768607	0	39	-1.0	-45.94	333.65	2.29	-43.65
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768608	0	39	-1.0	-60.97	341.64	2.57	-58.40
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010768609	0	43	-1.0	-44.25	354.75	2.29	-41.96
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Br)=C1	REAL300010768610	0	31	-1.0	-42.05	283.79	4.14	-37.91
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010768611	0	34	-1.0	-62.16	325.38	1.05	-61.11
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768612	0	34	-1.0	-42.79	305.68	4.74	-38.05
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768613	0	34	-1.0	-41.49	324.79	4.04	-37.45
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768614	0	32	-1.0	-42.17	284.88	3.22	-38.95
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010768615	0	32	-1.0	-42.63	303.10	3.94	-38.69
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768616	0	45	-1.0	-46.18	386.63	1.96	-44.22
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1OC	REAL300010768617	0	38	-1.0	-55.05	332.99	3.62	-51.43
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010768618	0	37	-1.0	-52.01	321.66	4.10	-47.91
CC(CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010768619	0	38	-1.0	-60.41	317.56	-1.01	-61.42
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010768620	0	37	-1.0	-53.75	317.40	2.86	-50.89
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010768621	0	37	-1.0	-49.34	319.37	3.98	-45.36
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010768622	0	41	-1.0	-58.98	355.88	5.90	-53.08
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010768623	0	36	-1.0	-47.55	315.12	2.20	-45.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010768625	0	35	-1.0	-50.15	314.47	4.06	-46.09
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1F	REAL300010768626	0	34	-1.0	-53.83	319.54	3.73	-50.10
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010768627	0	32	-1.0	-52.49	308.80	3.35	-49.14
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010768628	0	38	-1.0	-40.55	337.20	4.74	-35.81
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(Br)O1	REAL300010768629	0	31	-1.0	-48.69	295.19	1.82	-46.87
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C(Br)S1	REAL300010768630	0	28	-1.0	-36.76	276.29	3.32	-33.44
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010768631	0	29	-1.0	-50.14	287.12	3.71	-46.43
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)CC(=O)[O-])=C1C	REAL300010768632	0	36	-1.0	-49.51	299.13	5.51	-44.00
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768633	0	34	-1.0	-58.48	319.36	4.19	-54.29
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768634	0	37	-1.0	-49.14	321.18	1.11	-48.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010768635	0	32	-1.0	-40.69	291.15	4.55	-36.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010768636	0	29	-1.0	-40.53	284.94	3.60	-36.93
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768637	0	44	-1.0	-49.73	360.91	4.56	-45.17
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010768638	0	39	-1.0	-52.09	336.72	2.77	-49.32
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010768639	0	40	-1.0	-48.08	357.70	0.64	-47.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768640	0	36	-1.0	-48.52	325.30	-1.04	-49.56
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768641	0	38	-1.0	-62.88	346.82	1.86	-61.02
COC(=O)C1=C(C)OC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768642	0	34	-1.0	-44.87	307.79	2.35	-42.52
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010768643	1	30	-1.0	-45.36	274.06	4.45	-40.91
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010768644	0	31	-1.0	-55.90	306.65	4.78	-51.12
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C(C)N1	REAL300010768645	0	41	-1.0	-53.28	346.24	3.51	-49.77
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010768646	0	28	-1.0	-58.21	270.19	3.83	-54.38
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S2)=CS1	REAL300010768647	0	34	-1.0	-54.03	330.19	3.49	-50.54
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010768648	0	48	-1.0	-43.45	383.27	6.41	-37.04
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010768649	0	38	-1.0	-48.12	345.98	2.37	-45.75
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(I)=C1	REAL300010768650	0	28	-1.0	-41.07	276.51	3.89	-37.18
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768651	0	37	-1.0	-41.70	315.19	4.25	-37.45
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010768652	0	30	-1.0	-46.00	279.33	4.80	-41.20
COC1=CC(F)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010768653	0	36	-1.0	-54.08	316.00	2.21	-51.87
COC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010768654	0	39	-1.0	-42.70	318.70	2.76	-39.94
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010768655	1	30	-1.0	-42.09	297.21	5.39	-36.70
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010768656	0	31	-1.0	-56.87	289.87	3.73	-53.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010768657	0	29	-1.0	-42.88	281.11	3.45	-39.43
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Br)=C1	REAL300010768658	0	34	-1.0	-43.35	316.99	4.11	-39.24
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010768659	0	31	-1.0	-53.22	290.41	4.10	-49.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010768660	0	32	-1.0	-53.63	303.83	0.52	-53.11
COC(=O)CN1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=N1	REAL300010768661	0	34	-1.0	-47.48	308.87	1.55	-45.93
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010768662	0	34	-1.0	-52.86	306.97	5.73	-47.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010768663	0	33	-1.0	-40.49	297.88	4.80	-35.69
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768664	0	37	-1.0	-41.37	346.65	4.97	-36.40
CC1=C(Br)SC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768665	0	28	-1.0	-51.01	283.95	3.25	-47.76
CC1=C(Br)C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010768666	0	33	-1.0	-39.00	313.48	4.60	-34.40
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC(F)=C1F	REAL300010768667	0	34	-1.0	-42.16	314.32	3.53	-38.63
CC(CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010768668	0	46	-1.0	-40.58	335.23	4.81	-35.77
CC1=NC2=C(S(=O)(=O)NC(C)CC(=O)[O-])C=CC=C2C=C1	REAL300010768669	0	36	-1.0	-63.07	313.24	4.25	-58.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010768670	0	39	-1.0	-43.66	326.68	1.33	-42.33
CC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1Br	REAL300010768671	0	31	-1.0	-41.99	280.50	4.03	-37.96
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768672	0	34	-1.0	-48.08	301.94	4.31	-43.77
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010768673	0	36	-1.0	-52.65	308.98	0.62	-52.03
COC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010768674	0	34	-1.0	-50.62	306.43	3.65	-46.97
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768675	0	34	-1.0	-37.22	298.46	4.44	-32.78
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Br	REAL300010768676	0	34	-1.0	-50.90	321.96	4.04	-46.86
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010768677	0	41	-1.0	-55.78	342.86	5.58	-50.20
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768678	0	38	-1.0	-58.57	323.26	4.34	-54.23
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010768679	0	33	-1.0	-51.35	296.98	2.96	-48.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010768680	0	35	-1.0	-47.00	310.08	3.90	-43.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010768681	0	42	-1.0	-45.61	366.89	4.88	-40.73
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010768682	0	30	-1.0	-39.15	293.12	3.93	-35.22
CCOCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768683	0	42	-1.0	-46.15	355.50	3.25	-42.90
CCCCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768684	0	44	-1.0	-42.44	364.52	5.38	-37.06
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010768685	0	30	-1.0	-43.08	282.83	4.96	-38.12
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1F	REAL300010768686	0	34	-1.0	-52.03	310.23	3.58	-48.45
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(Cl)C=C1Cl	REAL300010768687	0	34	-1.0	-50.07	332.11	4.58	-45.49
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768688	0	38	-1.0	-63.21	334.67	3.43	-59.78
COC(=O)C1=CSC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768689	0	31	-1.0	-45.43	297.26	2.52	-42.91
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768690	0	40	-1.0	-42.21	332.12	4.78	-37.43
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1C	REAL300010768691	0	37	-1.0	-54.02	321.72	4.09	-49.93
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768692	0	34	-1.0	-59.32	311.91	3.66	-55.66
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010768693	0	34	-1.0	-57.31	297.82	4.84	-52.47
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010768694	0	27	-1.0	-49.28	267.22	1.68	-47.60
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010768695	0	32	-1.0	-39.35	304.97	4.24	-35.11
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010768696	0	42	-1.0	-55.27	361.99	0.84	-54.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010768697	0	28	-1.0	-49.19	277.91	3.58	-45.61
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010768698	0	35	-1.0	-57.91	313.35	0.65	-57.26
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768699	0	31	-1.0	-40.29	277.96	4.07	-36.22
COC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Br	REAL300010768700	0	32	-1.0	-50.70	300.82	2.88	-47.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010768701	0	39	-1.0	-45.06	326.19	4.04	-41.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010768702	0	36	-1.0	-56.79	329.85	-0.32	-57.11
CCC(=O)NCC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1OC	REAL300010768703	0	45	-1.0	-58.81	381.81	2.06	-56.75
COC1=CC=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768704	0	32	-1.0	-41.47	291.54	2.74	-38.73
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768705	0	37	-1.0	-59.19	333.06	1.32	-57.87
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010768706	0	30	-1.0	-41.34	296.97	2.70	-38.64
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768707	0	33	-1.0	-63.19	305.05	3.93	-59.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010768708	0	29	-1.0	-38.74	290.84	3.77	-34.97
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010768709	0	35	-1.0	-52.04	322.67	3.81	-48.23
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010768710	0	33	-1.0	-50.93	301.56	-1.66	-52.59
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010768711	0	42	-1.0	-45.81	361.69	4.74	-41.07
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768712	0	33	-1.0	-54.07	308.03	2.92	-51.15
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010768713	0	36	-1.0	-53.65	310.56	4.06	-49.59
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768714	0	44	-1.0	-53.77	385.12	1.47	-52.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010768715	0	38	-1.0	-44.71	328.93	3.70	-41.01
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010768716	0	33	-1.0	-43.24	296.97	2.97	-40.27
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1	REAL300010768717	0	38	-1.0	-42.53	311.80	3.82	-38.71
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768718	0	36	-1.0	-47.58	325.22	-1.05	-48.63
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768719	0	37	-1.0	-46.53	314.72	4.86	-41.67
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010768720	0	32	-1.0	-44.45	284.92	3.30	-41.15
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768721	0	40	-1.0	-43.34	346.96	5.19	-38.15
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010768722	0	46	-1.0	-47.73	385.80	2.79	-44.94
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010768723	0	34	-1.0	-43.52	306.76	2.63	-40.89
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010768724	0	34	-1.0	-41.15	309.74	4.55	-36.60
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768725	0	39	-1.0	-41.21	317.80	4.88	-36.33
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010768726	0	27	-1.0	-49.16	276.74	2.08	-47.08
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010768727	0	34	-1.0	-57.29	294.93	2.61	-54.68
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768728	0	31	-1.0	-38.03	281.79	4.21	-33.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010768729	0	36	-1.0	-55.50	310.68	2.09	-53.41
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010768730	0	44	-1.0	-48.70	363.97	3.74	-44.96
COC1=CC(Br)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010768731	0	36	-1.0	-42.18	321.03	2.67	-39.51
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OCC	REAL300010768732	0	42	-1.0	-53.70	353.33	3.94	-49.76
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010768733	0	34	-1.0	-54.25	294.31	1.90	-52.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010768734	0	33	-1.0	-48.65	303.04	-2.23	-50.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010768735	0	39	-1.0	-49.63	326.51	3.91	-45.72
CC(=O)N1CCCC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C21	REAL300010768736	0	42	-1.0	-57.33	341.80	4.42	-52.91
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1C	REAL300010768737	0	36	-1.0	-37.97	305.66	4.81	-33.16
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768738	0	34	-1.0	-43.69	303.60	3.47	-40.22
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C21	REAL300010768739	0	39	-1.0	-60.30	331.48	4.03	-56.27
CNC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768740	0	35	-1.0	-47.78	305.27	1.09	-46.69
CC(=O)N1C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2CC1C	REAL300010768741	0	42	-1.0	-55.92	345.53	4.47	-51.45
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=CS1	REAL300010768742	0	31	-1.0	-59.63	290.51	3.29	-56.34
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768743	0	31	-1.0	-51.92	298.52	2.69	-49.23
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010768744	0	32	-1.0	-50.47	307.53	4.08	-46.39
CCOC(=O)C1=CNN=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768745	0	34	-1.0	-63.97	304.62	1.53	-62.44
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010768746	0	34	-1.0	-57.63	307.46	-0.10	-57.73
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010768747	0	34	-1.0	-42.67	299.45	0.03	-42.64
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010768748	0	34	-1.0	-40.55	310.03	0.54	-40.01
CC1=CC2=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C2N=C1	REAL300010768749	0	36	-1.0	-62.61	300.34	4.70	-57.91
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010768750	0	34	-1.0	-50.46	292.12	3.57	-46.89
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768751	0	32	-1.0	-41.38	291.92	3.56	-37.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010768752	0	32	-1.0	-54.85	296.55	3.25	-51.60
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010768753	0	33	-1.0	-58.45	305.08	-2.14	-60.59
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768754	0	34	-1.0	-47.79	303.50	3.44	-44.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010768755	0	40	-1.0	-51.02	357.72	0.64	-50.38
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010768756	0	33	-1.0	-58.44	301.42	4.41	-54.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010768757	0	34	-1.0	-42.60	304.17	-0.83	-43.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010768758	0	34	-1.0	-52.72	309.39	0.32	-52.40
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010768759	0	35	-1.0	-54.11	316.52	2.17	-51.94
CC(CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010768760	0	36	-1.0	-56.38	318.59	4.64	-51.74
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CN=C12	REAL300010768761	0	36	-1.0	-55.12	307.97	4.24	-50.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010768762	0	34	-1.0	-57.15	304.98	2.86	-54.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010768763	0	33	-1.0	-43.20	296.51	4.30	-38.90
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010768764	0	36	-1.0	-50.31	301.51	5.51	-44.80
CCOC(=O)C1CCCN(S(=O)(=O)NC(C)CC(=O)[O-])C1	REAL300010768765	0	42	-1.0	-59.31	338.77	3.89	-55.42
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768766	0	32	-1.0	-40.40	310.26	4.27	-36.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010768767	0	32	-1.0	-50.83	296.88	2.70	-48.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010768768	0	39	-1.0	-57.37	347.22	0.86	-56.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010768769	0	30	-1.0	-44.10	279.23	4.81	-39.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010768770	0	40	-1.0	-63.95	336.92	2.23	-61.72
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010768771	0	38	-1.0	-44.21	310.35	6.52	-37.69
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768772	0	37	-1.0	-56.38	327.54	4.49	-51.89
CCOC(=O)N1CCC(S(=O)(=O)NC(C)CC(=O)[O-])CC1	REAL300010768773	0	42	-1.0	-51.13	338.59	2.91	-48.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010768774	0	28	-1.0	-39.95	270.15	3.44	-36.51
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768775	0	35	-1.0	-49.54	305.21	1.70	-47.84
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768776	0	33	-1.0	-37.59	288.70	4.25	-33.34
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768777	0	35	-1.0	-56.73	323.14	4.30	-52.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010768778	0	34	-1.0	-46.76	293.08	1.94	-44.82
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768779	0	43	-1.0	-41.21	336.68	5.91	-35.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010768780	0	28	-1.0	-49.23	282.82	3.89	-45.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010768781	0	28	-1.0	-52.68	281.39	4.05	-48.63
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010768782	0	31	-1.0	-42.01	287.75	3.82	-38.19
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010768783	0	31	-1.0	-43.24	269.07	4.10	-39.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010768784	0	31	-1.0	-49.08	302.76	4.33	-44.75
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010768785	0	31	-1.0	-52.98	303.61	4.54	-48.44
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)=CO1	REAL300010768786	0	37	-1.0	-49.34	325.08	1.85	-47.49
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010768787	0	27	-1.0	-47.17	278.00	1.99	-45.18
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768788	0	32	-1.0	-55.92	294.13	2.83	-53.09
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C2S1	REAL300010768789	0	37	-1.0	-46.65	331.37	5.40	-41.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010768790	0	36	-1.0	-42.04	322.11	2.64	-39.40
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768791	0	37	-1.0	-45.98	325.81	4.26	-41.72
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=N2)C=C1	REAL300010768792	0	38	-1.0	-48.42	331.43	4.57	-43.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C21	REAL300010768793	0	39	-1.0	-55.12	329.22	3.91	-51.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010768794	0	29	-1.0	-46.94	279.41	3.30	-43.64
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300010768795	0	42	-1.0	-57.49	352.74	2.65	-54.84
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010768796	0	36	-1.0	-53.08	324.67	4.03	-49.05
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010768797	0	33	-1.0	-49.58	295.11	4.08	-45.50
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010768798	0	42	-1.0	-40.34	363.64	5.40	-34.94
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=N1	REAL300010768799	0	39	-1.0	-50.82	337.26	3.53	-47.29
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010768800	0	34	-1.0	-41.03	323.52	4.01	-37.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010768801	0	30	-1.0	-52.62	282.88	2.35	-50.27
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768802	0	38	-1.0	-50.04	316.47	3.06	-46.98
CC(=O)NC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1C	REAL300010768803	0	38	-1.0	-66.10	324.79	2.65	-63.45
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010768804	0	40	-1.0	-44.84	322.95	3.34	-41.50
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010768805	0	34	-1.0	-55.07	302.23	1.95	-53.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010768806	0	37	-1.0	-53.98	323.75	4.58	-49.40
COC1=CC(OC)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768807	0	36	-1.0	-46.46	307.70	1.40	-45.06
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768808	0	36	-1.0	-39.60	302.88	4.98	-34.62
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(C)O1	REAL300010768809	0	34	-1.0	-55.26	310.98	2.51	-52.75
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768810	0	30	-1.0	-47.80	278.04	1.47	-46.33
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010768811	0	36	-1.0	-62.70	310.48	1.35	-61.35
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN1C	REAL300010768812	0	35	-1.0	-59.69	312.13	3.02	-56.67
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768813	0	39	-1.0	-45.52	331.14	4.62	-40.90
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010768814	0	31	-1.0	-38.90	293.28	4.09	-34.81
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Br)=C1	REAL300010768815	0	37	-1.0	-43.12	338.85	5.03	-38.09
CCOC(=O)C1CCCN1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768816	0	39	-1.0	-63.89	324.59	3.71	-60.18
CNC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN1C	REAL300010768817	0	36	-1.0	-55.99	314.92	0.57	-55.42
COC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1	REAL300010768818	0	38	-1.0	-42.73	303.71	3.59	-39.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010768819	0	34	-1.0	-39.97	312.98	0.70	-39.27
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010768820	0	36	-1.0	-42.66	319.16	2.50	-40.16
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768821	0	37	-1.0	-59.33	328.02	4.41	-54.92
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010768822	0	39	-1.0	-44.36	324.23	2.91	-41.45
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768823	0	37	-1.0	-45.99	325.50	4.18	-41.81
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])O1	REAL300010768824	0	34	-1.0	-43.58	311.32	2.61	-40.97
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010768825	0	39	-1.0	-46.45	332.92	6.90	-39.55
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768826	0	38	-1.0	-45.96	334.53	3.71	-42.25
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768827	0	41	-1.0	-46.35	355.48	3.86	-42.49
COC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010768828	0	38	-1.0	-41.73	309.95	3.65	-38.08
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010768829	0	31	-1.0	-42.24	282.70	4.75	-37.49
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010768830	0	30	-1.0	-45.86	283.86	4.91	-40.95
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768831	0	33	-1.0	-49.49	281.09	5.06	-44.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010768832	0	30	-1.0	-38.80	290.62	4.14	-34.66
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300010768833	0	25	-1.0	-44.88	252.43	2.36	-42.52
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010768834	0	36	-1.0	-53.74	295.92	4.03	-49.71
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010768835	0	36	-1.0	-57.54	305.47	1.77	-55.77
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010768836	0	27	-1.0	-40.35	275.37	1.97	-38.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010768837	0	30	-1.0	-42.01	280.75	3.54	-38.47
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010768838	0	30	-1.0	-48.13	295.28	4.04	-44.09
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768839	0	37	-1.0	-49.81	324.96	1.25	-48.56
CCN1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010768840	0	33	-1.0	-54.91	296.35	3.27	-51.64
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010768841	0	30	-1.0	-53.36	277.24	4.37	-48.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010768842	0	30	-1.0	-39.86	283.35	3.52	-36.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010768843	0	35	-1.0	-43.03	319.62	3.48	-39.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010768844	0	30	-1.0	-43.94	283.75	4.91	-39.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010768845	0	42	-1.0	-44.76	359.95	6.08	-38.68
CC(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010768846	0	43	-1.0	-64.89	328.36	5.38	-59.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010768847	0	36	-1.0	-47.58	325.97	-0.43	-48.01
CCOC(=O)N1CCN(S(=O)(=O)NC(C)CC(=O)[O-])CC1	REAL300010768848	0	41	-1.0	-56.20	333.97	2.28	-53.92
COC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010768849	0	37	-1.0	-56.13	331.10	4.16	-51.97
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010768850	0	38	-1.0	-46.95	335.43	4.33	-42.62
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768851	0	50	-1.0	-39.55	380.15	5.85	-33.70
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768852	0	34	-1.0	-40.98	316.79	4.10	-36.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010768853	0	36	-1.0	-49.11	325.77	-0.59	-49.70
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010768854	0	34	-1.0	-43.21	313.81	0.34	-42.87
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768855	0	35	-1.0	-56.93	319.53	3.94	-52.99
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C21	REAL300010768856	0	40	-1.0	-45.75	339.37	4.31	-41.44
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2F)N=C1	REAL300010768857	0	38	-1.0	-52.36	334.50	4.77	-47.59
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768858	0	35	-1.0	-59.62	318.30	2.31	-57.31
CCS(=O)(=O)NCCS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768859	0	35	-1.0	-61.75	313.29	-2.21	-63.96
CC1=CC(Cl)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010768860	0	33	-1.0	-54.78	308.66	4.77	-50.01
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010768861	0	34	-1.0	-44.27	303.65	4.14	-40.13
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010768862	0	25	-1.0	-49.61	279.24	3.23	-46.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010768863	0	40	-1.0	-56.07	346.01	4.95	-51.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010768864	0	28	-1.0	-53.56	278.45	3.63	-49.93
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010768865	0	34	-1.0	-40.45	303.15	4.31	-36.14
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010768866	0	34	-1.0	-55.51	313.21	4.63	-50.88
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C12	REAL300010768867	0	36	-1.0	-51.87	317.21	2.62	-49.25
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768868	0	35	-1.0	-45.28	315.58	3.41	-41.87
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010768869	0	31	-1.0	-58.12	299.82	4.41	-53.71
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010768870	0	37	-1.0	-42.91	330.39	5.66	-37.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010768871	0	30	-1.0	-36.64	290.55	4.13	-32.51
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768872	0	34	-1.0	-42.66	295.33	4.28	-38.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010768873	0	40	-1.0	-55.41	345.31	1.29	-54.12
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN=C2S1	REAL300010768874	0	42	-1.0	-50.38	375.31	4.53	-45.85
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010768875	0	35	-1.0	-56.73	319.20	3.53	-53.20
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010768876	0	28	-1.0	-52.57	285.96	4.15	-48.42
COC1=CC(OC)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010768877	0	36	-1.0	-57.20	329.82	2.72	-54.48
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010768878	0	36	-1.0	-50.77	320.56	0.28	-50.49
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768879	0	37	-1.0	-40.74	338.67	5.02	-35.72
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(Br)C=C1F	REAL300010768880	0	34	-1.0	-39.20	321.58	4.15	-35.05
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1F	REAL300010768881	0	37	-1.0	-51.79	332.10	4.51	-47.28
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010768882	0	36	-1.0	-49.42	307.08	3.43	-45.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010768883	0	31	-1.0	-52.26	306.35	4.87	-47.39
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010768884	0	34	-1.0	-40.91	316.58	5.71	-35.20
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010768885	0	31	-1.0	-42.13	299.13	4.58	-37.55
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010768886	0	34	-1.0	-45.97	295.40	5.63	-40.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010768887	0	34	-1.0	-58.23	309.37	5.82	-52.41
COC1=CC(Br)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010768888	0	32	-1.0	-38.83	307.80	3.32	-35.51
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C2O1	REAL300010768889	0	42	-1.0	-48.23	362.20	5.03	-43.20
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010768890	0	34	-1.0	-57.30	315.96	0.45	-56.85
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010768891	0	41	-1.0	-48.74	356.11	4.37	-44.37
CC(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010768892	0	39	-1.0	-46.48	346.93	-0.13	-46.61
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010768893	1	29	-1.0	-39.51	276.50	3.42	-36.09
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1N(C)C	REAL300010768894	0	39	-1.0	-53.57	325.49	3.56	-50.01
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768895	0	33	-1.0	-36.18	301.07	4.65	-31.53
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010768896	0	31	-1.0	-54.47	288.66	3.32	-51.15
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768897	0	34	-1.0	-43.56	305.60	4.76	-38.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768898	0	40	-1.0	-52.90	323.23	3.29	-49.61
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010768899	0	34	-1.0	-60.08	311.59	0.43	-59.65
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010768900	0	44	-1.0	-43.61	368.27	0.44	-43.17
CCOC(=O)C1CCN(S(=O)(=O)NC(C)CC(=O)[O-])CC1	REAL300010768901	0	42	-1.0	-41.26	342.75	3.88	-37.38
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768902	0	36	-1.0	-62.46	300.30	4.71	-57.75
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010768903	0	43	-1.0	-48.32	370.63	1.93	-46.39
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768904	0	38	-1.0	-49.25	325.50	2.52	-46.73
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010768905	0	31	-1.0	-42.61	292.73	4.07	-38.54
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768906	0	37	-1.0	-61.76	318.01	4.82	-56.94
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768907	0	47	-1.0	-52.19	374.21	6.56	-45.63
CC(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010768908	0	31	-1.0	-45.32	297.59	4.44	-40.88
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010768909	0	35	-1.0	-49.33	321.92	2.39	-46.94
COC1=CC(Cl)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010768910	0	32	-1.0	-39.41	304.87	3.17	-36.24
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768911	0	40	-1.0	-60.38	340.15	2.02	-58.36
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CS1	REAL300010768912	0	31	-1.0	-45.79	296.24	2.48	-43.31
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768913	0	37	-1.0	-41.96	327.60	5.24	-36.72
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010768914	0	39	-1.0	-44.04	354.26	6.17	-37.87
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1C	REAL300010768915	0	37	-1.0	-47.08	309.60	4.10	-42.98
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010768916	0	30	-1.0	-40.05	298.24	4.07	-35.98
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768917	0	32	-1.0	-42.15	302.65	3.86	-38.29
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768918	0	40	-1.0	-52.82	326.06	3.32	-49.50
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)=C1	REAL300010768919	0	42	-1.0	-44.67	358.96	6.33	-38.34
CC(CC(=O)[O-])NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010768920	0	42	-1.0	-48.01	373.54	1.78	-46.23
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010768921	0	31	-1.0	-55.99	282.63	0.41	-55.58
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010768922	0	36	-1.0	-43.59	311.53	3.21	-40.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010768923	0	28	-1.0	-39.77	276.63	3.91	-35.86
COC(=O)C1CCN(S(=O)(=O)NC(C)CC(=O)[O-])CC1	REAL300010768924	0	39	-1.0	-57.08	318.36	3.18	-53.90
COC1=C(C)C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010768925	0	38	-1.0	-52.73	324.49	3.79	-48.94
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(C(=O)OC)S1	REAL300010768926	0	37	-1.0	-43.77	340.97	3.97	-39.80
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010768927	0	28	-1.0	-54.63	282.23	2.90	-51.73
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010768928	0	41	-1.0	-62.82	371.97	5.08	-57.74
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010768929	0	37	-1.0	-60.32	328.17	4.88	-55.44
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010768930	0	45	-1.0	-66.41	387.83	2.63	-63.78
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010768931	0	34	-1.0	-55.19	317.32	3.57	-51.62
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010768932	0	34	-1.0	-55.08	323.52	5.08	-50.00
CC1=CC(Br)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768934	0	28	-1.0	-56.66	274.44	3.59	-53.07
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010768935	0	33	-1.0	-55.86	303.32	3.40	-52.46
CC1=C(Br)SC(S(=O)(=O)NC(C)CC(=O)[O-])=N1	REAL300010768936	1	27	-1.0	-49.66	279.04	1.11	-48.55
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768937	0	33	-1.0	-36.45	293.14	4.30	-32.15
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010768938	0	32	-1.0	-43.05	301.42	1.65	-41.40
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010768939	0	33	-1.0	-62.84	290.98	4.83	-58.01
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010768940	0	36	-1.0	-47.83	311.84	4.72	-43.11
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010768941	0	36	-1.0	-58.65	322.92	5.19	-53.46
CC1=NN2C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=NC2=C1Cl	REAL300010768942	0	33	-1.0	-45.09	305.44	2.52	-42.57
CCCCCCN1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C(=O)NC1=O	REAL300010768943	0	46	-1.0	-55.72	388.35	3.83	-51.89
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010768945	0	39	-1.0	-55.55	337.44	4.88	-50.67
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010768946	0	32	-1.0	-44.39	296.86	3.94	-40.45
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010768947	0	33	-1.0	-43.74	301.72	4.10	-39.64
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768948	0	34	-1.0	-43.55	295.25	4.32	-39.23
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(OC)=C1	REAL300010768949	0	46	-1.0	-50.34	395.00	1.35	-48.99
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(OC)=C1	REAL300010768950	0	43	-1.0	-50.70	373.50	0.56	-50.14
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768951	1	43	-1.0	-48.50	365.77	-0.30	-48.80
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010768952	0	42	-1.0	-55.46	372.82	1.36	-54.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010768953	0	42	-1.0	-58.69	356.79	4.11	-54.58
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010768954	0	31	-1.0	-70.57	289.55	2.81	-67.76
CC1=CC=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768955	0	31	-1.0	-41.68	283.76	4.13	-37.55
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010768956	0	39	-1.0	-55.80	351.32	0.58	-55.22
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010768957	0	27	-1.0	-53.57	266.40	2.19	-51.38
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)CC(=O)[O-])C=CC=C12	REAL300010768958	0	39	-1.0	-45.06	333.05	3.72	-41.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010768959	0	38	-1.0	-42.59	344.16	6.84	-35.75
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010768960	0	31	-1.0	-55.26	306.65	4.82	-50.44
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010768961	0	36	-1.0	-71.01	335.30	1.26	-69.75
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010768962	0	28	-1.0	-49.02	280.09	4.28	-44.74
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010768963	0	27	-1.0	-48.51	276.96	2.15	-46.36
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=N1	REAL300010768964	0	33	-1.0	-42.79	299.48	1.59	-41.20
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010768965	0	31	-1.0	-57.87	320.40	0.08	-57.79
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010768966	0	47	-1.0	-62.11	405.57	3.91	-58.20
CC(C)OC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768967	0	38	-1.0	-43.91	317.94	3.64	-40.27
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010768968	0	42	-1.0	-61.05	386.04	0.56	-60.49
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010768969	0	37	-1.0	-51.01	333.30	2.23	-48.78
CC(=O)NC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010768970	0	38	-1.0	-45.09	335.43	3.26	-41.83
CC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Br	REAL300010768971	0	33	-1.0	-41.51	306.27	3.83	-37.68
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010768972	0	39	-1.0	-55.87	355.72	1.87	-54.00
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)CC1	REAL300010768973	0	41	-1.0	-55.82	349.22	5.54	-50.28
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010768974	0	32	-1.0	-57.66	308.22	4.48	-53.18
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010768975	0	37	-1.0	-42.30	313.48	6.40	-35.90
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010768976	0	36	-1.0	-62.22	300.12	4.41	-57.81
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010768977	0	34	-1.0	-60.98	300.76	4.39	-56.59
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010768978	0	41	-1.0	-64.74	345.63	4.49	-60.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010768979	0	34	-1.0	-40.86	317.35	0.85	-40.01
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768980	0	37	-1.0	-41.70	331.77	4.43	-37.27
CCC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010768981	0	37	-1.0	-54.75	331.36	3.31	-51.44
CC(CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010768982	0	45	-1.0	-60.08	363.41	4.81	-55.27
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768983	0	41	-1.0	-44.18	357.90	4.83	-39.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010768984	0	29	-1.0	-39.44	280.12	3.70	-35.74
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768985	0	32	-1.0	-39.13	302.13	3.68	-35.45
CC(CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010768986	0	48	-1.0	-55.86	369.89	4.67	-51.19
CC(CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010768987	0	45	-1.0	-58.26	379.25	5.27	-52.99
CC(CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010768988	0	42	-1.0	-39.84	337.29	2.92	-36.92
CC(CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010768989	0	39	-1.0	-42.44	342.92	3.45	-38.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010768990	0	30	-1.0	-39.75	283.45	1.99	-37.76
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])SC=N1	REAL300010768991	1	30	-1.0	-55.85	291.62	0.71	-55.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010768992	0	34	-1.0	-41.86	309.90	3.50	-38.36
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010769001	0	33	-1.0	-57.04	309.27	3.41	-53.63
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010769002	0	28	-1.0	-39.77	276.63	3.91	-35.86
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010769003	0	25	-1.0	-41.03	254.29	1.61	-39.42
COC1=CC(Br)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769004	0	32	-1.0	-42.34	299.52	2.70	-39.64
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN1C	REAL300010769005	0	38	-1.0	-59.40	333.99	3.94	-55.46
CC(CC(=O)[O-])NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010769006	0	41	-1.0	-49.53	358.53	3.90	-45.63
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C12	REAL300010769007	0	35	-1.0	-50.01	312.13	0.62	-49.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010769008	0	40	-1.0	-54.98	335.28	4.34	-50.64
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010769009	0	35	-1.0	-44.39	311.49	4.04	-40.35
CSC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769010	0	32	-1.0	-51.82	306.11	4.38	-47.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769011	0	30	-1.0	-51.30	290.02	3.31	-47.99
CC(CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010769012	0	38	-1.0	-66.73	331.86	-0.37	-67.10
COC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN=C1Cl	REAL300010769013	0	31	-1.0	-48.52	291.76	0.88	-47.64
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C21	REAL300010769014	0	37	-1.0	-57.07	326.81	3.87	-53.20
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010769015	0	43	-1.0	-55.83	364.66	3.35	-52.48
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769017	0	31	-1.0	-38.59	281.78	4.22	-34.37
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010769018	0	32	-1.0	-50.57	284.35	2.78	-47.79
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769019	0	34	-1.0	-40.62	322.73	4.16	-36.46
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010769020	0	28	-1.0	-48.72	300.98	4.60	-44.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010769021	0	28	-1.0	-42.10	273.84	3.49	-38.61
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769022	0	36	-1.0	-48.79	300.94	3.36	-45.43
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1C	REAL300010769023	0	55	-1.0	-53.48	438.18	7.46	-46.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010769024	0	37	-1.0	-55.46	304.21	4.23	-51.23
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769025	0	42	-1.0	-59.67	373.75	4.07	-55.60
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010769026	0	29	-1.0	-55.17	285.41	3.93	-51.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010769027	0	31	-1.0	-49.35	293.42	1.84	-47.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010769028	0	43	-1.0	-65.06	351.63	3.81	-61.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010769029	0	34	-1.0	-52.62	318.08	5.79	-46.83
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769030	1	31	-1.0	-53.41	313.02	3.05	-50.36
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769031	0	36	-1.0	-46.45	316.03	1.03	-45.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010770001	0	43	-1.0	-55.96	363.25	8.40	-47.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1	REAL300010770002	0	42	-1.0	-59.60	359.99	4.69	-54.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300010770003	0	45	-1.0	-56.37	380.94	4.84	-51.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300010770004	0	42	-1.0	-56.70	349.67	4.46	-52.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010770005	0	36	-1.0	-64.51	317.40	4.65	-59.86
CCOC(=O)CCCS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770006	0	40	-1.0	-45.70	345.49	3.84	-41.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010770007	0	35	-1.0	-59.99	311.16	5.14	-54.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010770008	0	34	-1.0	-44.93	318.27	5.61	-39.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300010770009	0	37	-1.0	-61.52	307.02	5.01	-56.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010770010	0	34	-1.0	-41.53	315.46	5.29	-36.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010770011	0	29	-1.0	-54.80	292.44	3.25	-51.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010770012	0	36	-1.0	-54.21	316.59	3.80	-50.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300010770013	0	40	-1.0	-57.48	325.45	4.62	-52.86
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010770014	0	34	-1.0	-58.95	318.98	2.96	-55.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010770015	0	40	-1.0	-46.83	345.48	2.74	-44.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010770016	0	37	-1.0	-51.49	308.13	3.69	-47.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010770017	0	31	-1.0	-51.29	307.19	2.62	-48.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010770018	0	34	-1.0	-45.72	309.18	4.80	-40.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010770019	0	34	-1.0	-43.80	329.21	4.77	-39.03
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770020	0	41	-1.0	-61.97	363.23	2.21	-59.76
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010770021	0	37	-1.0	-62.72	337.67	4.38	-58.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010770022	0	34	-1.0	-65.33	317.47	4.85	-60.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010770023	0	34	-1.0	-48.84	318.40	4.32	-44.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010770024	0	39	-1.0	-55.67	345.05	4.45	-51.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010770025	0	34	-1.0	-63.38	325.39	5.87	-57.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010770026	0	46	-1.0	-55.10	385.39	7.05	-48.05
COCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010770027	0	47	-1.0	-55.54	362.59	5.99	-49.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010770028	0	40	-1.0	-48.83	353.66	0.76	-48.07
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770029	0	40	-1.0	-58.94	347.87	4.90	-54.04
CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1	REAL300010770030	0	45	-1.0	-55.90	367.07	2.96	-52.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300010770031	0	41	-1.0	-59.14	358.91	4.66	-54.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010770032	0	42	-1.0	-54.81	370.33	5.14	-49.67
COCCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300010770033	0	54	-1.0	-43.94	416.74	7.09	-36.85
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C)=C1	REAL300010770034	0	38	-1.0	-46.77	327.98	5.02	-41.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010770035	0	40	-1.0	-58.07	347.69	0.46	-57.61
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010770036	0	35	-1.0	-44.17	312.99	4.41	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C	REAL300010770037	0	38	-1.0	-59.28	322.95	4.90	-54.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010770038	0	38	-1.0	-46.56	349.90	1.19	-45.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300010770039	0	35	-1.0	-42.89	312.41	4.25	-38.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300010770040	0	39	-1.0	-57.71	348.13	4.74	-52.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010770041	0	44	-1.0	-56.06	374.46	5.12	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300010770042	0	42	-1.0	-47.16	369.42	5.67	-41.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300010770043	0	39	-1.0	-57.80	357.36	2.64	-55.16
CCS(=O)(=O)NCCS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770044	0	39	-1.0	-52.45	346.67	-1.62	-54.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300010770045	0	35	-1.0	-55.37	313.16	4.28	-51.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300010770046	0	37	-1.0	-53.66	335.08	5.08	-48.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300010770047	0	38	-1.0	-45.97	336.36	4.92	-41.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010770048	0	29	-1.0	-40.26	306.00	3.70	-36.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010770049	0	44	-1.0	-58.16	373.39	5.44	-52.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010770050	0	32	-1.0	-60.58	292.70	3.63	-56.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010770051	0	32	-1.0	-55.78	307.70	4.20	-51.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300010770052	0	38	-1.0	-42.88	339.24	5.17	-37.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010770053	0	38	-1.0	-58.87	356.78	4.39	-54.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300010770054	0	40	-1.0	-46.49	350.55	4.20	-42.29
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300010770055	0	39	-1.0	-60.21	352.18	4.20	-56.01
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010770056	0	35	-1.0	-59.77	333.89	4.98	-54.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300010770057	0	36	-1.0	-43.52	324.02	1.45	-42.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010770058	0	41	-1.0	-56.82	355.70	6.59	-50.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010770059	0	34	-1.0	-58.95	318.98	2.96	-55.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010770060	0	34	-1.0	-51.70	318.73	4.42	-47.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300010770061	0	38	-1.0	-64.61	337.13	5.30	-59.31
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010770062	0	35	-1.0	-58.09	320.85	4.77	-53.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010770063	0	44	-1.0	-57.35	381.38	2.14	-55.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010770064	0	39	-1.0	-43.98	352.58	4.15	-39.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010770065	0	32	-1.0	-54.08	311.96	4.49	-49.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010770066	0	40	-1.0	-51.39	353.48	0.99	-50.40
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C1F	REAL300010770067	0	41	-1.0	-43.81	366.02	5.24	-38.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010770068	0	40	-1.0	-64.43	347.33	4.45	-59.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010770069	0	35	-1.0	-53.90	339.79	5.54	-48.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300010770070	0	38	-1.0	-49.36	347.91	6.40	-42.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010770071	0	35	-1.0	-44.72	321.89	5.78	-38.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010770072	0	38	-1.0	-51.27	332.21	6.51	-44.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010770073	0	38	-1.0	-63.21	341.55	6.49	-56.72
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C2O1	REAL300010770074	0	46	-1.0	-51.17	397.75	6.70	-44.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010770075	0	38	-1.0	-49.00	349.90	1.19	-47.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010770076	0	45	-1.0	-53.14	392.22	5.20	-47.94
COCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010770077	0	43	-1.0	-50.38	382.83	0.70	-49.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010770078	0	33	-1.0	-43.78	313.78	4.30	-39.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300010770079	0	43	-1.0	-48.63	359.41	4.29	-44.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)N1C	REAL300010770080	0	32	-1.0	-41.94	299.00	3.42	-38.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300010770081	0	37	-1.0	-50.50	332.86	5.08	-45.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300010770082	0	32	-1.0	-62.32	304.50	2.41	-59.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010770083	0	35	-1.0	-70.68	319.34	4.11	-66.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300010770084	0	38	-1.0	-51.38	334.79	5.97	-45.41
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770085	0	44	-1.0	-46.20	355.78	4.86	-41.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010770086	0	37	-1.0	-47.53	320.18	4.31	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010770087	0	38	-1.0	-61.06	345.52	1.16	-59.90
CCOC(=O)C1CCN(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1	REAL300010770088	0	46	-1.0	-58.34	377.25	4.27	-54.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300010770089	0	40	-1.0	-53.12	331.62	6.08	-47.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010770090	0	35	-1.0	-73.95	306.07	2.55	-71.40
CCC(=O)NC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770091	0	42	-1.0	-61.25	350.53	3.48	-57.77
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010770092	0	35	-1.0	-58.06	329.32	4.87	-53.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010770093	0	33	-1.0	-47.46	293.90	4.11	-43.35
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(=O)OC	REAL300010770094	0	41	-1.0	-66.10	351.81	5.38	-60.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010770095	0	32	-1.0	-54.36	297.06	3.95	-50.41
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770096	0	51	-1.0	-70.40	401.66	7.22	-63.18
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010770097	0	35	-1.0	-48.74	333.48	5.26	-43.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300010770098	0	39	-1.0	-59.79	356.29	3.10	-56.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010770099	0	40	-1.0	-55.14	340.84	4.20	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300010770100	0	36	-1.0	-53.71	342.48	4.11	-49.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300010770101	0	44	-1.0	-55.69	364.13	2.11	-53.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300010770102	0	35	-1.0	-54.74	331.29	3.27	-51.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300010770103	0	41	-1.0	-63.97	366.08	6.24	-57.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010770104	0	43	-1.0	-47.70	390.22	6.99	-40.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300010770105	0	41	-1.0	-58.47	349.09	4.91	-53.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010770106	0	34	-1.0	-48.55	333.29	4.88	-43.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300010770107	0	44	-1.0	-46.71	358.93	4.89	-41.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010770108	0	34	-1.0	-52.43	313.03	4.31	-48.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300010770109	0	46	-1.0	-48.42	394.91	7.15	-41.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300010770110	0	39	-1.0	-60.48	330.03	4.21	-56.27
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010770111	0	36	-1.0	-44.45	327.44	4.74	-39.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010770112	0	35	-1.0	-58.83	315.51	1.10	-57.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010770113	0	40	-1.0	-55.70	342.33	4.73	-50.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010770114	0	32	-1.0	-50.78	301.94	4.85	-45.93
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300010770115	0	43	-1.0	-55.72	351.19	3.17	-52.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300010770116	0	42	-1.0	-47.84	357.84	5.37	-42.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300010770117	0	41	-1.0	-53.59	375.18	4.48	-49.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300010770118	0	39	-1.0	-48.74	339.88	3.37	-45.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010770119	0	32	-1.0	-57.46	315.79	3.72	-53.74
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010770120	0	41	-1.0	-60.65	362.24	5.46	-55.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010770121	0	38	-1.0	-48.32	350.68	5.17	-43.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010770122	0	38	-1.0	-58.54	367.11	4.84	-53.70
COCCN(CC(=O)[O-])S(=O)(=O)CCOCC(F)(F)F	REAL300010770123	0	35	-1.0	-55.19	317.61	2.56	-52.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300010770124	0	37	-1.0	-48.51	327.90	2.14	-46.37
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770125	0	44	-1.0	-44.22	335.36	6.28	-37.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C)S1	REAL300010770127	0	32	-1.0	-55.67	313.58	3.88	-51.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010770128	0	37	-1.0	-46.47	343.30	4.37	-42.10
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300010770129	0	41	-1.0	-47.58	345.00	5.56	-42.02
CCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770130	0	38	-1.0	-47.85	327.70	5.08	-42.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC(C)=C(Br)S1	REAL300010770131	0	31	-1.0	-52.37	307.79	1.77	-50.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300010770132	0	37	-1.0	-50.74	324.90	4.73	-46.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010770133	0	36	-1.0	-48.08	337.51	2.50	-45.58
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010770134	0	37	-1.0	-69.12	325.33	5.38	-63.74
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010770135	0	40	-1.0	-49.37	347.74	5.52	-43.85
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010770136	0	40	-1.0	-60.31	356.99	5.78	-54.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300010770137	0	37	-1.0	-45.75	342.91	4.11	-41.64
CCCN1C=NC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770138	0	38	-1.0	-48.83	332.37	4.38	-44.45
CCCCCCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(=O)NC1=O	REAL300010770139	0	50	-1.0	-58.61	412.33	5.60	-53.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010770140	0	32	-1.0	-39.18	311.21	4.93	-34.25
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010770141	0	35	-1.0	-51.60	317.21	4.41	-47.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010770142	0	43	-1.0	-49.02	356.96	5.10	-43.92
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010770143	0	36	-1.0	-60.87	333.45	4.74	-56.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300010770144	0	37	-1.0	-49.45	336.83	4.91	-44.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300010770145	0	38	-1.0	-51.25	324.47	5.52	-45.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010770146	0	46	-1.0	-45.03	390.68	4.85	-40.18
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010770147	0	35	-1.0	-74.36	305.67	2.84	-71.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300010770148	0	35	-1.0	-55.40	312.32	4.44	-50.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300010770149	0	35	-1.0	-57.66	312.17	4.57	-53.09
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010770150	0	35	-1.0	-60.20	319.00	4.43	-55.77
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1F	REAL300010770151	0	43	-1.0	-46.41	385.22	1.30	-45.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010770152	0	31	-1.0	-56.01	297.24	2.85	-53.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12	REAL300010770153	0	43	-1.0	-47.41	358.47	4.14	-43.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010770154	0	40	-1.0	-77.02	360.23	1.85	-75.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010770155	0	31	-1.0	-40.85	302.31	2.59	-38.26
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])N=C1C	REAL300010770156	0	38	-1.0	-51.05	330.04	4.28	-46.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300010770157	0	37	-1.0	-53.17	334.55	2.41	-50.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010770158	0	35	-1.0	-58.00	347.63	0.55	-57.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010770159	0	40	-1.0	-55.56	337.47	4.21	-51.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300010770160	0	42	-1.0	-53.33	343.41	4.61	-48.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300010770161	0	35	-1.0	-56.14	317.24	4.00	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300010770162	0	39	-1.0	-55.37	329.23	3.48	-51.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010770163	0	41	-1.0	-57.83	369.26	3.15	-54.68
COCCN(CC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010770164	0	43	-1.0	-44.85	330.69	9.13	-35.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300010770165	0	35	-1.0	-58.21	315.39	4.83	-53.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300010770166	0	37	-1.0	-45.05	342.37	4.67	-40.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300010770167	0	45	-1.0	-58.01	382.11	6.21	-51.80
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010770168	0	36	-1.0	-57.78	342.30	5.07	-52.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010770169	0	41	-1.0	-66.44	350.17	7.35	-59.09
COCCN(CC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300010770170	0	41	-1.0	-45.25	331.76	1.81	-43.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010770171	0	35	-1.0	-53.29	309.82	2.24	-51.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300010770172	0	40	-1.0	-64.20	331.11	5.00	-59.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010770173	0	38	-1.0	-51.57	327.80	5.61	-45.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21	REAL300010770174	0	45	-1.0	-51.73	360.38	5.08	-46.65
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300010770175	0	44	-1.0	-59.21	357.20	0.58	-58.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010770176	0	38	-1.0	-51.77	352.41	1.63	-50.14
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770177	0	41	-1.0	-55.23	366.82	5.23	-50.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300010770178	0	39	-1.0	-48.15	326.35	3.56	-44.59
CCC1=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010770179	0	41	-1.0	-47.68	348.57	3.43	-44.25
COCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010770180	0	49	-1.0	-61.67	387.04	5.31	-56.36
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770181	0	45	-1.0	-52.44	389.38	5.42	-47.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010770182	0	33	-1.0	-43.56	305.34	4.76	-38.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010770183	0	39	-1.0	-58.71	330.60	4.52	-54.19
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010770184	0	37	-1.0	-60.44	330.63	3.66	-56.78
COCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010770185	0	52	-1.0	-52.06	395.88	5.09	-46.97
COCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010770186	0	46	-1.0	-41.35	373.97	3.79	-37.56
COCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010770187	0	43	-1.0	-59.20	379.51	4.25	-54.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1F	REAL300010770188	0	35	-1.0	-60.68	306.72	4.22	-56.46
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=N1	REAL300010770189	0	38	-1.0	-51.85	332.85	1.16	-50.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010770190	0	34	-1.0	-52.26	318.55	2.81	-49.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300010770191	0	34	-1.0	-64.61	318.72	2.15	-62.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1	REAL300010770192	0	38	-1.0	-55.63	344.96	4.30	-51.33
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771001	0	29	-1.0	-49.31	281.47	2.56	-46.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771002	0	43	-1.0	-43.51	334.94	6.03	-37.48
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010771003	0	41	-1.0	-43.13	334.56	5.98	-37.15
CC(NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010771004	0	35	-1.0	-45.02	330.09	1.75	-43.27
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771005	0	32	-1.0	-46.79	307.73	0.36	-46.43
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771006	0	35	-1.0	-52.33	304.54	2.01	-50.32
CC(NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010771007	0	22	-1.0	-42.99	254.73	2.31	-40.68
CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010771008	0	35	-1.0	-45.00	306.87	5.59	-39.41
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010771009	0	28	-1.0	-41.06	286.08	3.77	-37.29
CC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771010	0	25	-1.0	-40.29	269.50	3.88	-36.41
CC(NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010771011	1	25	-1.0	-40.19	266.85	2.91	-37.28
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010771012	0	28	-1.0	-47.12	276.24	3.21	-43.91
CC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010771013	0	25	-1.0	-39.91	266.62	2.94	-36.97
CC(NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771014	0	28	-1.0	-40.74	288.36	3.67	-37.07
CC(NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771015	0	28	-1.0	-40.98	277.04	3.24	-37.74
CC(NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010771016	0	28	-1.0	-42.62	261.93	3.72	-38.90
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010771017	0	36	-1.0	-48.45	336.34	5.48	-42.97
CC(NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010771018	0	25	-1.0	-40.54	256.98	3.03	-37.51
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771019	0	31	-1.0	-42.83	290.65	2.66	-40.17
CC(NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771020	0	28	-1.0	-42.70	290.86	3.71	-38.99
CC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010771021	0	25	-1.0	-43.36	257.79	2.76	-40.60
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300010771022	0	40	-1.0	-44.17	350.89	4.31	-39.86
CC(NS(=O)(=O)C1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300010771023	0	25	-1.0	-40.44	271.88	3.58	-36.86
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771024	0	32	-1.0	-49.76	301.17	1.60	-48.16
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010771025	0	41	-1.0	-47.20	343.33	5.50	-41.70
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1Cl	REAL300010771026	0	28	-1.0	-45.23	271.61	3.96	-41.27
CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010771027	0	28	-1.0	-41.87	288.03	3.86	-38.01
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010771028	0	35	-1.0	-47.50	303.39	3.93	-43.57
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(N)=O	REAL300010771029	0	33	-1.0	-50.29	292.83	-0.55	-50.84
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300010771030	0	43	-1.0	-47.59	369.97	2.16	-45.43
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771031	0	32	-1.0	-54.61	295.79	1.17	-53.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771032	0	31	-1.0	-47.37	302.37	3.26	-44.11
CC(NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010771033	0	24	-1.0	-46.80	248.78	0.88	-45.92
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010771034	0	34	-1.0	-55.08	317.74	0.39	-54.69
CC(=O)NC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1F	REAL300010771035	0	32	-1.0	-54.14	293.05	1.09	-53.05
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C21	REAL300010771036	0	39	-1.0	-60.00	323.25	3.71	-56.29
CC(NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010771037	0	25	-1.0	-41.02	257.09	3.01	-38.01
CC(NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010771038	0	36	-1.0	-43.57	315.99	1.68	-41.89
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010771039	0	28	-1.0	-42.15	277.41	3.52	-38.63
CC(NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010771040	0	25	-1.0	-43.22	266.91	3.17	-40.05
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771041	0	39	-1.0	-54.96	342.21	0.93	-54.03
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771042	0	33	-1.0	-41.24	293.86	4.66	-36.58
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771043	0	41	-1.0	-43.29	344.71	4.49	-38.80
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010771044	0	39	-1.0	-43.26	327.46	4.39	-38.87
CC(C)COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771045	0	38	-1.0	-43.31	325.75	3.89	-39.42
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010771046	0	29	-1.0	-46.56	286.05	2.22	-44.34
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010771047	0	38	-1.0	-44.19	322.20	3.76	-40.43
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771048	0	36	-1.0	-46.43	317.77	1.66	-44.77
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771049	0	36	-1.0	-51.98	323.58	1.83	-50.15
CC(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010771050	0	40	-1.0	-49.12	335.51	1.53	-47.59
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Br)=C1	REAL300010771051	0	28	-1.0	-44.02	271.95	3.62	-40.40
CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010771052	0	31	-1.0	-54.05	305.65	0.24	-53.81
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771053	0	31	-1.0	-47.70	294.94	4.23	-43.47
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)N(C)C(=O)N2C)C(=O)[O-]	REAL300010771054	0	35	-1.0	-44.10	330.47	3.89	-40.21
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771055	0	31	-1.0	-47.21	306.93	3.36	-43.85
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010771056	0	29	-1.0	-45.79	291.02	3.49	-42.30
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771057	0	42	-1.0	-48.79	374.54	1.25	-47.54
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1OC	REAL300010771058	0	35	-1.0	-49.20	312.86	2.79	-46.41
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771059	0	34	-1.0	-43.24	303.51	3.37	-39.87
CC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010771060	0	34	-1.0	-52.56	301.39	2.25	-50.31
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010771061	0	34	-1.0	-49.23	307.84	3.55	-45.68
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010771062	0	38	-1.0	-51.44	338.39	5.17	-46.27
CC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010771063	0	33	-1.0	-53.12	299.24	1.57	-51.55
CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010771064	0	32	-1.0	-52.41	296.12	3.33	-49.08
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1F	REAL300010771065	0	31	-1.0	-48.90	299.75	2.94	-45.96
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010771066	0	29	-1.0	-47.24	289.03	2.53	-44.71
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010771067	0	35	-1.0	-42.23	327.27	4.32	-37.91
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=C(Br)S1	REAL300010771068	0	25	-1.0	-39.17	264.62	2.77	-36.40
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300010771069	0	33	-1.0	-52.11	283.58	4.99	-47.12
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771070	0	31	-1.0	-50.65	299.66	3.37	-47.28
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771071	0	34	-1.0	-51.40	309.54	0.65	-50.75
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771072	0	41	-1.0	-47.82	344.90	3.94	-43.88
CC(NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010771073	0	36	-1.0	-52.38	320.72	2.15	-50.23
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010771074	0	37	-1.0	-50.10	340.07	-0.07	-50.17
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010771075	0	28	-1.0	-49.08	287.36	3.82	-45.26
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C(C)N1	REAL300010771076	0	38	-1.0	-47.94	326.42	2.69	-45.25
CC(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010771077	0	25	-1.0	-46.67	248.20	3.00	-43.67
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S2)=CS1	REAL300010771078	0	31	-1.0	-45.16	312.86	2.76	-42.40
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010771079	0	45	-1.0	-43.40	367.40	5.78	-37.62
CC(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010771080	0	35	-1.0	-49.32	330.12	1.74	-47.58
CC(NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010771081	0	25	-1.0	-42.37	260.51	3.28	-39.09
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771082	0	34	-1.0	-45.27	303.68	3.77	-41.50
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771083	0	27	-1.0	-48.45	268.25	4.22	-44.23
COC1=CC(F)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300010771084	0	33	-1.0	-47.88	296.20	1.41	-46.47
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300010771085	0	36	-1.0	-44.04	308.18	2.20	-41.84
CC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771086	1	27	-1.0	-45.12	282.35	4.90	-40.22
CC(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010771087	0	28	-1.0	-50.01	270.92	3.01	-47.00
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Br)=C1	REAL300010771088	0	31	-1.0	-44.16	305.44	3.61	-40.55
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771089	0	28	-1.0	-46.76	270.51	3.27	-43.49
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010771090	0	29	-1.0	-42.71	286.27	-0.21	-42.92
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010771091	0	31	-1.0	-43.93	289.43	5.00	-38.93
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010771092	0	30	-1.0	-42.23	284.67	4.35	-37.88
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771093	0	34	-1.0	-47.11	329.03	4.27	-42.84
CC1=C(Br)SC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771094	0	25	-1.0	-40.83	266.77	2.51	-38.32
CC1=C(Br)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771095	0	30	-1.0	-41.12	297.61	3.98	-37.14
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(F)=C1F	REAL300010771096	0	31	-1.0	-44.14	296.47	2.84	-41.30
CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010771097	0	43	-1.0	-41.62	319.81	3.83	-37.79
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010771098	0	36	-1.0	-48.02	308.32	0.58	-47.44
CC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1Br	REAL300010771099	0	28	-1.0	-44.86	268.86	3.51	-41.35
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771100	0	31	-1.0	-48.24	292.74	3.45	-44.79
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010771101	0	31	-1.0	-45.19	286.30	2.83	-42.36
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771102	0	31	-1.0	-40.57	288.56	4.02	-36.55
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010771103	0	31	-1.0	-45.43	302.07	3.20	-42.23
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010771104	0	38	-1.0	-47.15	325.32	4.85	-42.30
CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Br)C(=O)[O-]	REAL300010771105	0	31	-1.0	-51.26	311.27	0.48	-50.78
CC(NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010771106	0	39	-1.0	-48.29	350.88	4.26	-44.03
CC(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010771107	0	27	-1.0	-42.27	277.12	3.31	-38.96
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771108	0	39	-1.0	-46.41	339.49	2.63	-43.78
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771109	0	41	-1.0	-43.19	348.51	4.76	-38.43
CC(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771110	0	27	-1.0	-48.76	268.69	4.39	-44.37
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1F	REAL300010771111	0	31	-1.0	-46.69	290.34	2.75	-43.94
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010771112	0	31	-1.0	-44.01	312.46	3.76	-40.25
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771113	0	35	-1.0	-54.81	314.98	2.56	-52.25
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771114	0	37	-1.0	-45.17	320.77	4.30	-40.87
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C	REAL300010771115	0	34	-1.0	-47.71	301.82	3.26	-44.45
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771116	0	31	-1.0	-51.65	292.17	2.85	-48.80
CC(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010771117	0	24	-1.0	-40.84	249.08	0.97	-39.87
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010771118	0	29	-1.0	-41.14	289.10	3.64	-37.50
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771119	0	39	-1.0	-47.96	351.25	0.51	-47.45
CC(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010771120	0	25	-1.0	-43.68	258.02	2.74	-40.94
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010771121	0	32	-1.0	-58.33	297.48	0.04	-58.29
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771122	0	28	-1.0	-42.26	266.72	3.63	-38.63
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010771123	0	29	-1.0	-44.63	280.69	2.06	-42.57
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010771124	0	33	-1.0	-49.94	309.97	-1.15	-51.09
CCC(=O)NCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1OC	REAL300010771125	0	42	-1.0	-49.23	363.77	1.33	-47.90
COC1=CC=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771126	0	29	-1.0	-43.87	280.03	2.25	-41.62
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771127	0	34	-1.0	-53.93	312.95	0.51	-53.42
CC(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010771128	0	27	-1.0	-41.86	280.97	2.08	-39.78
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771129	0	30	-1.0	-55.06	285.49	3.11	-51.95
CC(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010771130	0	26	-1.0	-44.58	272.98	3.10	-41.48
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771131	0	32	-1.0	-46.14	302.78	2.97	-43.17
CC(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010771132	0	30	-1.0	-45.67	281.51	-2.48	-48.15
CC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010771133	0	39	-1.0	-44.90	345.82	4.11	-40.79
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771134	0	30	-1.0	-48.44	290.68	2.36	-46.08
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771135	0	41	-1.0	-53.56	369.14	0.84	-52.72
CC(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010771136	0	35	-1.0	-46.51	312.92	3.09	-43.42
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771137	0	34	-1.0	-47.79	304.69	4.13	-43.66
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010771138	0	46	-1.0	-51.71	373.74	2.47	-49.24
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771139	0	46	-1.0	-45.42	386.05	3.10	-42.32
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771140	0	37	-1.0	-43.21	330.84	4.56	-38.65
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300010771141	0	43	-1.0	-52.75	367.93	2.08	-50.67
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010771142	0	31	-1.0	-44.50	295.14	2.10	-42.40
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771143	0	31	-1.0	-43.44	295.04	3.93	-39.51
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300010771144	0	31	-1.0	-48.68	319.34	3.48	-45.20
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771145	0	28	-1.0	-40.77	270.13	3.75	-37.02
CC(NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010771146	0	41	-1.0	-48.40	347.85	3.11	-45.29
COC1=CC(Br)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300010771147	0	33	-1.0	-43.15	309.27	2.18	-40.97
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OCC	REAL300010771148	0	39	-1.0	-47.42	333.22	3.14	-44.28
CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010771149	0	30	-1.0	-48.94	286.90	-2.86	-51.80
CC(NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010771150	0	36	-1.0	-51.15	310.64	3.28	-47.87
CC(=O)N1CCCC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300010771151	0	39	-1.0	-54.41	322.42	3.67	-50.74
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300010771152	0	33	-1.0	-41.46	294.29	4.31	-37.15
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300010771153	0	36	-1.0	-52.69	312.09	3.22	-49.47
CC(=O)N1C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2CC1C	REAL300010771154	0	39	-1.0	-49.76	325.71	3.64	-46.12
CC(NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771155	0	29	-1.0	-41.91	289.49	3.35	-38.56
CC(NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010771156	0	31	-1.0	-51.80	287.33	-0.92	-52.72
CC(NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010771157	0	31	-1.0	-48.25	281.51	-0.69	-48.94
CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010771158	0	31	-1.0	-43.27	298.04	0.02	-43.25
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010771159	0	31	-1.0	-51.92	281.19	3.00	-48.92
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771160	0	29	-1.0	-48.76	276.76	2.44	-46.32
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010771161	0	30	-1.0	-52.99	285.31	-2.97	-55.96
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010771162	0	37	-1.0	-50.57	342.10	-0.00	-50.57
CC(NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010771163	0	31	-1.0	-47.21	288.32	-1.44	-48.65
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010771164	0	31	-1.0	-52.19	293.38	-0.30	-52.49
CC(NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010771165	0	32	-1.0	-47.96	296.46	1.35	-46.61
CC(NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010771166	0	31	-1.0	-50.97	284.93	2.05	-48.92
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771167	0	33	-1.0	-52.61	290.42	4.93	-47.68
CC(NS(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1)C(=O)[O-]	REAL300010771168	0	34	-1.0	-50.24	342.65	3.60	-46.64
CCOC(=O)C1CCCN(S(=O)(=O)NC(C)C(=O)[O-])C1	REAL300010771169	0	39	-1.0	-44.00	325.58	2.81	-41.19
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771170	0	29	-1.0	-41.95	297.34	3.29	-38.66
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010771171	0	29	-1.0	-41.95	278.69	1.97	-39.98
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010771172	0	36	-1.0	-52.01	326.57	0.08	-51.93
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771173	0	27	-1.0	-47.96	268.24	4.21	-43.75
CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010771174	0	37	-1.0	-52.90	319.86	1.52	-51.38
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010771175	0	35	-1.0	-46.79	304.91	5.82	-40.97
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771176	0	34	-1.0	-47.70	309.34	3.75	-43.95
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010771177	0	25	-1.0	-41.05	254.02	2.80	-38.25
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771178	0	32	-1.0	-49.39	303.32	3.48	-45.91
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771179	0	28	-1.0	-40.87	284.76	3.59	-37.28
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010771180	0	28	-1.0	-46.08	283.84	3.72	-42.36
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=CO1	REAL300010771181	0	34	-1.0	-50.80	307.46	1.15	-49.65
COC(=O)C1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010771182	0	34	-1.0	-49.72	316.79	4.84	-44.88
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010771183	0	33	-1.0	-45.55	310.53	2.14	-43.41
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771184	0	34	-1.0	-47.87	309.81	3.61	-44.26
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N2)C=C1	REAL300010771185	0	35	-1.0	-46.95	315.53	3.97	-42.98
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C21	REAL300010771186	0	36	-1.0	-62.83	310.03	3.15	-59.68
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010771187	0	39	-1.0	-50.78	333.72	1.83	-48.95
CC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010771188	0	33	-1.0	-43.44	306.63	3.28	-40.16
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010771189	0	39	-1.0	-41.37	347.77	4.78	-36.59
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N1	REAL300010771190	0	36	-1.0	-51.91	318.67	2.82	-49.09
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1Br	REAL300010771191	0	31	-1.0	-42.04	310.88	3.39	-38.65
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771192	0	35	-1.0	-51.94	300.04	2.38	-49.56
CC(=O)NC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C	REAL300010771193	0	35	-1.0	-59.56	304.67	1.83	-57.73
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771194	0	33	-1.0	-40.30	288.07	4.44	-35.86
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Br)=C1	REAL300010771195	0	34	-1.0	-43.76	327.30	4.53	-39.23
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010771196	0	31	-1.0	-42.64	301.39	0.19	-42.45
CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010771197	0	33	-1.0	-46.19	307.17	1.97	-44.22
CC(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010771198	0	36	-1.0	-49.06	306.34	2.22	-46.84
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771199	0	34	-1.0	-48.00	310.80	3.56	-44.44
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010771200	0	36	-1.0	-46.03	316.91	6.29	-39.74
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771201	0	35	-1.0	-48.30	318.65	3.09	-45.21
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771202	0	38	-1.0	-46.64	339.47	3.25	-43.39
CC(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010771203	0	28	-1.0	-46.57	270.02	4.28	-42.29
CC(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771204	0	27	-1.0	-48.25	272.82	4.33	-43.92
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010771205	0	27	-1.0	-39.86	278.82	3.64	-36.22
CC(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010771206	0	22	-1.0	-41.33	243.21	1.65	-39.68
CC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010771207	0	33	-1.0	-50.03	297.24	1.36	-48.67
CC(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010771208	0	24	-1.0	-43.16	261.70	1.42	-41.74
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010771209	0	27	-1.0	-42.99	275.23	3.22	-39.77
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771210	0	34	-1.0	-51.42	315.49	0.63	-50.79
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010771211	0	32	-1.0	-44.28	303.75	2.85	-41.43
CC(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771212	0	27	-1.0	-47.69	272.80	4.33	-43.36
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010771213	0	39	-1.0	-44.73	343.94	5.45	-39.28
CC(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010771214	0	40	-1.0	-56.97	309.22	4.45	-52.52
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010771215	0	33	-1.0	-52.33	313.37	-1.01	-53.34
CCOC(=O)N1CCN(S(=O)(=O)NC(C)C(=O)[O-])CC1	REAL300010771216	0	38	-1.0	-44.30	318.58	0.93	-43.37
COC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010771217	0	34	-1.0	-49.92	311.29	3.36	-46.56
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010771218	0	35	-1.0	-46.77	319.41	3.75	-43.02
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771219	0	47	-1.0	-42.29	366.33	5.04	-37.25
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771220	0	31	-1.0	-44.10	305.28	3.61	-40.49
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010771221	0	33	-1.0	-49.80	309.76	-1.20	-51.00
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771222	0	32	-1.0	-49.53	299.87	3.11	-46.42
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300010771223	0	37	-1.0	-48.47	321.78	3.62	-44.85
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2F)N=C1	REAL300010771224	0	35	-1.0	-46.56	314.37	3.95	-42.61
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771225	0	32	-1.0	-43.78	308.52	1.17	-42.61
CC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771226	0	30	-1.0	-47.16	289.14	3.91	-43.25
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010771227	0	31	-1.0	-46.46	285.76	3.43	-43.03
CC(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010771228	0	22	-1.0	-42.83	259.37	2.42	-40.41
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010771229	0	37	-1.0	-46.28	327.78	4.20	-42.08
CC(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010771230	0	25	-1.0	-46.87	258.84	2.81	-44.06
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010771231	0	31	-1.0	-42.86	287.29	3.68	-39.18
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010771232	0	31	-1.0	-49.23	304.68	2.91	-46.32
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010771233	0	28	-1.0	-50.72	280.43	3.48	-47.24
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010771234	0	36	-1.0	-48.05	349.51	-0.37	-48.42
CC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010771235	0	34	-1.0	-44.80	314.40	5.01	-39.79
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010771236	0	27	-1.0	-40.47	278.91	3.61	-36.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771237	0	31	-1.0	-47.54	284.47	3.80	-43.74
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN=C2S1	REAL300010771238	0	39	-1.0	-43.51	357.12	3.79	-39.72
CC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010771239	0	25	-1.0	-45.72	266.23	3.34	-42.38
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771240	0	33	-1.0	-45.34	312.44	1.97	-43.37
CC(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010771241	0	33	-1.0	-45.53	300.51	-0.53	-46.06
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771242	0	34	-1.0	-44.08	327.28	4.52	-39.56
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(Br)C=C1F	REAL300010771243	0	31	-1.0	-40.50	309.97	3.64	-36.86
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1F	REAL300010771244	0	34	-1.0	-46.29	311.97	3.69	-42.60
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010771245	0	33	-1.0	-50.65	296.18	2.86	-47.79
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771246	0	42	-1.0	-49.90	381.83	2.42	-47.48
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010771247	0	28	-1.0	-42.60	288.89	4.15	-38.45
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010771248	0	31	-1.0	-43.30	301.49	5.11	-38.19
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010771249	0	28	-1.0	-45.33	287.60	4.07	-41.26
CC(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010771250	0	31	-1.0	-48.26	279.03	5.00	-43.26
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010771251	0	31	-1.0	-49.16	291.75	5.08	-44.08
COC1=CC(Br)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771252	0	29	-1.0	-40.77	296.08	2.82	-37.95
CC(NS(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010771253	1	22	-1.0	-37.94	263.12	2.23	-35.71
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C2O1	REAL300010771254	0	39	-1.0	-50.48	344.56	4.32	-46.16
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010771255	0	31	-1.0	-50.61	296.14	-0.38	-50.99
CC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010771256	0	38	-1.0	-49.45	340.24	3.73	-45.72
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010771257	0	36	-1.0	-55.54	330.31	-0.85	-56.39
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771258	0	30	-1.0	-39.25	289.40	4.16	-35.09
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771259	0	31	-1.0	-47.13	294.63	4.24	-42.89
CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010771260	0	31	-1.0	-54.87	291.53	-0.39	-55.26
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010771261	0	41	-1.0	-46.22	352.76	-0.19	-46.41
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010771262	0	40	-1.0	-53.41	352.76	1.22	-52.19
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771263	0	35	-1.0	-49.26	309.51	1.87	-47.39
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300010771264	0	34	-1.0	-55.42	298.63	3.89	-51.53
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771265	0	44	-1.0	-57.41	363.16	5.74	-51.67
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010771266	0	28	-1.0	-50.36	280.73	3.71	-46.65
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771267	0	32	-1.0	-48.98	308.65	1.79	-47.19
COC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771268	0	29	-1.0	-41.37	292.72	2.66	-38.71
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771269	0	37	-1.0	-51.60	320.50	1.13	-50.47
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771270	0	34	-1.0	-47.30	316.75	4.71	-42.59
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010771271	0	36	-1.0	-47.06	336.19	5.44	-41.62
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300010771272	0	34	-1.0	-47.85	297.69	3.61	-44.24
CC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010771273	0	27	-1.0	-42.73	280.37	3.39	-39.34
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771274	0	29	-1.0	-42.82	290.03	2.87	-39.95
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300010771275	0	39	-1.0	-47.08	340.95	5.60	-41.48
CC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010771276	0	25	-1.0	-40.88	260.51	3.28	-37.60
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300010771277	0	42	-1.0	-46.90	379.45	3.82	-43.08
CC(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010771278	0	25	-1.0	-47.47	263.16	2.20	-45.27
CC(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010771279	0	38	-1.0	-50.35	353.92	4.34	-46.01
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010771280	0	42	-1.0	-58.62	368.02	1.80	-56.82
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010771281	0	31	-1.0	-51.78	301.20	2.83	-48.95
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010771282	0	31	-1.0	-48.81	314.77	3.38	-45.43
CC(NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300010771283	0	31	-1.0	-57.74	321.34	3.68	-54.06
CC1=CC(Br)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771284	0	25	-1.0	-41.56	265.04	2.47	-39.09
CC1=C(Br)SC(S(=O)(=O)NC(C)C(=O)[O-])=N1	REAL300010771285	1	24	-1.0	-41.97	261.75	0.42	-41.55
CC(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010771286	0	29	-1.0	-46.24	283.77	0.94	-45.30
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771287	0	33	-1.0	-50.60	297.27	4.08	-46.52
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010771288	0	33	-1.0	-53.17	303.54	4.26	-48.91
CC1=NN2C=C(S(=O)(=O)NC(C)C(=O)[O-])C=NC2=C1Cl	REAL300010771289	0	30	-1.0	-45.05	287.67	1.73	-43.32
CCCCCCN1C=C(S(=O)(=O)NC(C)C(=O)[O-])C(=O)NC1=O	REAL300010771290	0	43	-1.0	-51.95	368.43	3.07	-48.88
CC(NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010771292	0	36	-1.0	-47.65	320.12	4.12	-43.53
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010771293	0	30	-1.0	-42.77	285.71	3.50	-39.27
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771294	0	31	-1.0	-47.10	284.30	3.80	-43.30
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300010771295	0	43	-1.0	-49.31	382.72	0.29	-49.02
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300010771296	0	40	-1.0	-48.32	357.40	-0.39	-48.71
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771297	1	40	-1.0	-52.86	354.68	-0.76	-53.62
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771298	0	39	-1.0	-48.66	352.93	0.53	-48.13
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br)C(=O)[O-]	REAL300010771299	0	29	-1.0	-39.30	296.55	2.76	-36.54
CC(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010771300	0	39	-1.0	-51.67	336.66	3.29	-48.38
CC(NS(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010771301	0	28	-1.0	-43.81	287.35	1.00	-42.81
CC(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010771302	0	28	-1.0	-59.28	271.15	2.09	-57.19
CC1=CC=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771303	0	28	-1.0	-44.15	272.15	3.61	-40.54
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771304	0	36	-1.0	-48.89	331.43	-0.26	-49.15
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)C(=O)[O-])C=CC=C12	REAL300010771305	0	36	-1.0	-45.19	320.85	3.26	-41.93
CC(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010771306	0	35	-1.0	-47.37	326.30	6.13	-41.24
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771307	0	28	-1.0	-48.75	287.27	3.89	-44.86
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010771308	0	33	-1.0	-64.05	315.62	0.42	-63.63
CC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010771309	0	25	-1.0	-39.78	262.83	3.60	-36.18
CC(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010771310	0	28	-1.0	-52.11	300.61	-0.72	-52.83
CC(NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010771311	0	44	-1.0	-49.33	388.39	3.17	-46.16
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771312	0	39	-1.0	-50.30	368.72	-0.17	-50.47
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010771313	0	34	-1.0	-54.45	322.91	1.81	-52.64
CC(=O)NC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771314	0	35	-1.0	-45.71	324.31	2.76	-42.95
CC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010771315	0	30	-1.0	-45.14	287.55	3.11	-42.03
CC(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010771316	0	36	-1.0	-49.69	335.67	1.06	-48.63
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300010771317	0	38	-1.0	-46.67	331.17	4.79	-41.88
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010771318	0	29	-1.0	-52.09	288.84	3.55	-48.54
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010771319	0	38	-1.0	-52.66	328.35	3.62	-49.04
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010771320	0	31	-1.0	-44.82	299.44	0.18	-44.64
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771321	0	34	-1.0	-47.05	313.91	3.74	-43.31
CCC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010771322	0	34	-1.0	-41.62	313.53	2.53	-39.09
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771323	0	38	-1.0	-45.01	345.28	3.84	-41.17
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771324	0	29	-1.0	-41.88	289.60	2.62	-39.26
CC(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010771325	0	45	-1.0	-44.42	355.91	3.97	-40.45
CC(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010771326	0	42	-1.0	-55.63	365.51	4.58	-51.05
CC(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010771327	0	39	-1.0	-43.29	325.70	2.43	-40.86
CC(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010771328	0	36	-1.0	-44.99	331.44	2.95	-42.04
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771329	0	31	-1.0	-47.36	292.04	2.81	-44.55
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC(C(=O)[O-])CC1)=C2	REAL300010773001	0	38	-1.0	-51.54	357.70	6.21	-45.33
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010773002	0	32	-1.0	-49.96	302.43	5.90	-44.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010773003	0	34	-1.0	-51.40	309.88	4.08	-47.32
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)CC1	REAL300010773004	0	37	-1.0	-58.13	325.66	6.05	-52.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)CC1	REAL300010773005	0	37	-1.0	-56.73	320.58	5.66	-51.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010773006	0	34	-1.0	-51.40	309.88	4.08	-47.32
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010773007	0	41	-1.0	-53.81	326.32	7.53	-46.28
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773008	0	36	-1.0	-50.94	326.42	6.03	-44.91
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCCF)C=C2)CC1	REAL300010773009	0	39	-1.0	-50.52	332.51	5.40	-45.12
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C21	REAL300010773010	0	46	-1.0	-53.42	377.19	6.52	-46.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010773011	0	32	-1.0	-48.85	295.96	5.42	-43.43
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300010773012	0	38	-1.0	-61.95	337.44	1.21	-60.74
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300010773013	0	42	-1.0	-53.24	344.93	6.13	-47.11
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)CC1	REAL300010773014	0	38	-1.0	-51.03	346.04	2.45	-48.58
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300010773015	0	36	-1.0	-48.71	312.89	6.29	-42.42
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)CC1	REAL300010773016	0	36	-1.0	-51.77	325.80	6.79	-44.98
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)CC1	REAL300010773017	0	36	-1.0	-48.30	327.77	6.84	-41.46
O=C([O-])C1CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300010773018	0	37	-1.0	-64.66	317.99	-1.04	-65.70
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)CC1	REAL300010773019	0	35	-1.0	-54.48	298.10	5.39	-49.09
O=C([O-])C1CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300010773020	0	38	-1.0	-56.20	306.01	5.42	-50.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300010773021	0	34	-1.0	-51.88	305.51	4.43	-47.45
O=C([O-])C1CCN(S(=O)(=O)CCOC2CCOC2)CC1	REAL300010773022	0	40	-1.0	-54.10	327.40	2.18	-51.92
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010773023	0	41	-1.0	-53.76	350.58	4.02	-49.74
O=C([O-])C1CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300010773024	0	49	-1.0	-54.52	349.61	7.88	-46.64
CC1(C)COC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010773025	0	42	-1.0	-57.14	333.09	4.23	-52.91
O=C([O-])C1CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300010773026	0	35	-1.0	-54.55	304.71	0.78	-53.77
CC(C)(CS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(F)F	REAL300010773027	0	40	-1.0	-52.53	311.59	5.48	-47.05
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773028	0	40	-1.0	-59.62	345.10	1.88	-57.74
CC1(C)CCC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)OC1	REAL300010773029	0	45	-1.0	-56.32	346.93	5.32	-51.00
CCOC(=O)C1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C2C=CC=CN21	REAL300010773030	0	44	-1.0	-61.16	377.15	6.73	-54.43
O=C([O-])C1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300010773031	0	42	-1.0	-46.97	345.13	7.35	-39.62
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300010773032	0	36	-1.0	-53.33	322.59	4.11	-49.22
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=C2C=C1	REAL300010773033	0	41	-1.0	-55.58	355.99	6.94	-48.64
O=C([O-])C1CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300010773034	0	42	-1.0	-58.58	356.06	7.93	-50.65
O=C([O-])C1CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300010773035	0	41	-1.0	-61.42	325.27	2.91	-58.51
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773036	0	41	-1.0	-60.75	345.54	5.86	-54.89
O=C([O-])C1CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300010773037	0	45	-1.0	-46.61	342.14	7.05	-39.56
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300010773038	0	36	-1.0	-51.02	316.41	6.32	-44.70
COC(=O)C1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773039	0	43	-1.0	-51.90	328.21	5.04	-46.86
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C21	REAL300010773040	0	54	-1.0	-49.01	404.32	9.22	-39.79
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010773041	0	35	-1.0	-53.33	320.03	5.85	-47.48
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010773042	0	43	-1.0	-49.12	351.86	6.09	-43.03
CC1=CC=CC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773043	0	40	-1.0	-51.59	333.09	4.89	-46.70
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=NN1	REAL300010773044	0	38	-1.0	-50.98	334.78	2.86	-48.12
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1OC	REAL300010773045	0	37	-1.0	-54.10	327.46	3.41	-50.69
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773046	0	35	-1.0	-49.95	329.14	4.32	-45.63
O=C([O-])C1CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300010773047	0	44	-1.0	-50.55	332.62	5.45	-45.10
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773048	0	43	-1.0	-52.18	349.59	6.75	-45.43
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773049	0	36	-1.0	-49.11	324.56	6.14	-42.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CC1	REAL300010773050	0	36	-1.0	-56.76	321.33	5.80	-50.96
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010773051	0	36	-1.0	-52.49	310.61	4.57	-47.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300010773052	0	36	-1.0	-51.25	320.06	4.68	-46.57
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773053	0	38	-1.0	-51.48	314.78	4.87	-46.61
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)CC1	REAL300010773054	0	35	-1.0	-58.32	305.84	6.44	-51.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300010773055	0	41	-1.0	-51.79	353.45	5.53	-46.26
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010773056	0	29	-1.0	-47.66	297.74	5.09	-42.57
CN1N=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010773057	0	32	-1.0	-50.70	288.80	2.89	-47.81
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773058	0	45	-1.0	-53.55	362.87	7.34	-46.21
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010773059	0	49	-1.0	-50.91	393.01	6.94	-43.97
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)CC1	REAL300010773060	0	35	-1.0	-50.35	328.93	6.41	-43.94
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)CC1	REAL300010773061	0	37	-1.0	-50.26	327.21	5.71	-44.55
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773062	0	40	-1.0	-50.47	328.29	4.82	-45.65
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300010773063	0	43	-1.0	-53.25	361.30	7.85	-45.40
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773064	0	38	-1.0	-61.06	313.00	6.88	-54.18
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773065	0	35	-1.0	-56.81	306.83	2.60	-54.21
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)CC1	REAL300010773066	0	37	-1.0	-55.34	327.47	3.58	-51.76
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CC1	REAL300010773067	0	33	-1.0	-53.06	313.20	3.81	-49.25
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773068	0	34	-1.0	-46.04	288.86	3.90	-42.14
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773069	0	43	-1.0	-53.27	356.29	6.62	-46.65
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300010773070	0	42	-1.0	-52.12	338.09	5.31	-46.81
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300010773071	0	36	-1.0	-51.19	300.94	3.92	-47.27
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300010773072	0	38	-1.0	-48.88	337.22	7.82	-41.06
CC(=O)OC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010773073	0	40	-1.0	-49.02	334.31	4.21	-44.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CC1	REAL300010773074	0	42	-1.0	-49.03	365.52	8.97	-40.06
COC(=O)C1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C(Cl)S1	REAL300010773075	0	35	-1.0	-49.42	325.72	5.70	-43.72
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Br	REAL300010773076	0	38	-1.0	-47.23	333.64	6.91	-40.32
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773077	0	45	-1.0	-49.46	359.01	6.18	-43.28
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CS2)CC1	REAL300010773078	0	29	-1.0	-49.41	281.41	4.51	-44.90
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773079	0	46	-1.0	-54.68	373.72	5.31	-49.37
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300010773080	0	38	-1.0	-52.39	323.85	7.44	-44.95
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773081	0	40	-1.0	-52.26	321.71	2.62	-49.64
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300010773082	0	39	-1.0	-53.11	308.55	6.72	-46.39
CC1(C)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010773083	0	43	-1.0	-50.14	325.48	5.04	-45.10
O=C([O-])C1CCN(S(=O)(=O)N2CCC(CO)CC2)CC1	REAL300010773084	0	41	-1.0	-47.74	319.88	1.34	-46.40
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773085	0	46	-1.0	-48.83	384.39	5.67	-43.16
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300010773086	0	47	-1.0	-50.09	376.44	5.40	-44.69
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773087	0	35	-1.0	-50.42	311.71	2.69	-47.73
COC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300010773088	0	38	-1.0	-49.73	321.89	2.45	-47.28
CC(C)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300010773089	0	41	-1.0	-53.10	335.54	5.15	-47.95
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773090	0	41	-1.0	-52.51	330.87	4.34	-48.17
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300010773091	0	31	-1.0	-50.27	301.92	3.04	-47.23
O=C([O-])C1CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300010773092	0	42	-1.0	-52.86	329.29	2.27	-50.59
COCC1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)=NO1	REAL300010773093	0	38	-1.0	-52.14	328.96	2.94	-49.20
N#CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)SC=C1	REAL300010773094	0	30	-1.0	-49.23	282.56	4.35	-44.88
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC1	REAL300010773095	0	35	-1.0	-55.62	320.64	4.73	-50.89
O=C([O-])C1CCN(S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010773096	0	30	-1.0	-48.31	287.78	2.79	-45.52
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010773097	0	36	-1.0	-58.56	320.78	3.03	-55.53
CC1=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C(C)S1	REAL300010773098	0	38	-1.0	-49.53	311.44	6.20	-43.33
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010773099	0	31	-1.0	-50.30	283.38	3.72	-46.58
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773100	0	36	-1.0	-52.69	318.39	5.41	-47.28
COC1=CC=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773101	0	35	-1.0	-48.69	291.39	2.96	-45.73
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300010773102	0	34	-1.0	-47.76	310.43	4.13	-43.63
COC1=NC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010773103	0	35	-1.0	-51.23	305.36	1.93	-49.30
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010773104	0	41	-1.0	-59.07	357.09	3.94	-55.13
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773105	0	39	-1.0	-58.28	329.70	2.87	-55.41
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)CC1	REAL300010773106	0	36	-1.0	-46.71	337.44	7.16	-39.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300010773107	0	37	-1.0	-53.42	327.55	6.98	-46.44
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010773108	0	31	-1.0	-48.30	296.39	3.83	-44.47
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)N=C1	REAL300010773109	0	43	-1.0	-50.61	346.98	5.44	-45.17
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773110	0	38	-1.0	-49.55	313.82	4.24	-45.31
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300010773111	0	40	-1.0	-52.90	323.76	5.94	-46.96
COC(=O)C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300010773112	0	40	-1.0	-50.97	341.35	4.41	-46.56
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773113	0	35	-1.0	-62.57	312.26	7.05	-55.52
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1	REAL300010773114	0	39	-1.0	-49.39	317.65	5.16	-44.23
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300010773115	0	39	-1.0	-50.56	328.57	6.14	-44.42
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300010773116	0	34	-1.0	-52.49	302.78	3.96	-48.53
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1	REAL300010773117	0	37	-1.0	-52.27	309.66	5.42	-46.85
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=NN1C(C)C	REAL300010773118	0	41	-1.0	-53.90	330.77	4.62	-49.28
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)CC1	REAL300010773119	0	39	-1.0	-52.79	332.47	7.19	-45.60
O=C([O-])C1CCN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)CC1	REAL300010773120	0	34	-1.0	-51.41	303.83	4.15	-47.26
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300010773121	0	32	-1.0	-47.12	291.33	5.55	-41.57
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=C1NCCC2	REAL300010773122	0	44	-1.0	-49.58	333.76	5.40	-44.18
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010773123	0	46	-1.0	-50.39	383.36	8.58	-41.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)CC1	REAL300010773124	0	39	-1.0	-49.15	336.07	7.27	-41.88
O=C([O-])C1CCN(S(=O)(=O)C2=CSC=C2Br)CC1	REAL300010773125	0	29	-1.0	-50.55	273.59	4.20	-46.35
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)CC1	REAL300010773126	0	36	-1.0	-53.52	320.38	5.36	-48.16
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773127	0	34	-1.0	-45.96	293.46	3.98	-41.98
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300010773128	0	37	-1.0	-53.91	307.46	5.38	-48.53
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773129	0	41	-1.0	-51.68	334.46	6.89	-44.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300010773130	0	43	-1.0	-51.22	358.84	9.15	-42.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)CC1	REAL300010773131	0	35	-1.0	-56.43	309.24	5.85	-50.58
O=C([O-])C1CCN(S(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300010773132	0	31	-1.0	-47.61	290.92	3.84	-43.77
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010773133	0	34	-1.0	-50.33	299.62	4.39	-45.94
O=C([O-])C1CCN(S(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300010773134	0	35	-1.0	-47.64	302.68	4.60	-43.04
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773135	0	40	-1.0	-59.85	330.80	0.80	-59.05
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300010773136	0	39	-1.0	-50.92	304.20	3.08	-47.84
N#CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010773137	0	38	-1.0	-48.83	312.87	4.50	-44.33
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Br	REAL300010773138	0	34	-1.0	-49.48	310.16	4.27	-45.21
O=C([O-])C1CCN(S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010773139	0	31	-1.0	-47.00	299.18	4.33	-42.67
O=C([O-])C1CCN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)CC1	REAL300010773140	0	36	-1.0	-55.77	322.47	4.31	-51.46
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300010773141	0	36	-1.0	-48.71	312.89	6.29	-42.42
O=C([O-])C1CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)CC1	REAL300010773142	0	36	-1.0	-48.36	323.21	6.74	-41.62
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773143	0	41	-1.0	-58.78	352.72	4.58	-54.20
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773144	0	35	-1.0	-50.60	300.86	2.43	-48.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)CC1	REAL300010773145	0	39	-1.0	-52.78	319.34	6.84	-45.94
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010773146	0	35	-1.0	-51.28	312.02	6.23	-45.05
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)CC1	REAL300010773147	0	36	-1.0	-49.21	321.00	4.72	-44.49
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300010773148	0	39	-1.0	-45.85	319.86	5.30	-40.55
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C(=O)OC	REAL300010773149	0	45	-1.0	-53.66	378.52	6.66	-47.00
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C2C1	REAL300010773150	0	45	-1.0	-57.76	373.52	7.57	-50.19
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)N=C1	REAL300010773151	0	35	-1.0	-51.19	300.00	2.42	-48.77
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773152	0	38	-1.0	-50.30	334.16	3.18	-47.12
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773153	0	38	-1.0	-49.47	335.46	7.11	-42.36
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773154	0	37	-1.0	-60.65	313.72	4.79	-55.86
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773155	0	38	-1.0	-55.87	311.03	6.55	-49.32
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300010773156	0	37	-1.0	-48.81	303.66	5.38	-43.43
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2I)CC1	REAL300010773157	0	32	-1.0	-51.44	286.07	5.73	-45.71
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773158	0	38	-1.0	-54.31	320.39	4.17	-50.14
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C2C=C1	REAL300010773159	0	43	-1.0	-52.89	371.20	6.05	-46.84
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300010773160	0	40	-1.0	-57.82	326.70	6.42	-51.40
O=C([O-])C1CCN(S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010773161	0	28	-1.0	-48.85	280.09	3.28	-45.57
NC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773162	0	34	-1.0	-51.05	308.97	3.50	-47.55
O=C([O-])C1CCN(C(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300010773163	0	39	-1.0	-51.37	308.86	7.59	-43.78
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010773164	0	34	-1.0	-48.48	298.12	4.26	-44.22
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC=C2C(F)F)CC1	REAL300010773165	0	34	-1.0	-56.21	294.63	4.30	-51.91
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C(Cl)S1	REAL300010773166	0	32	-1.0	-49.87	290.22	5.06	-44.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300010773167	0	34	-1.0	-52.46	305.49	4.04	-48.42
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CC1	REAL300010773168	0	39	-1.0	-54.00	342.64	5.85	-48.15
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC(C(=O)[O-])CC1)C2	REAL300010773169	0	49	-1.0	-51.05	336.81	9.15	-41.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773170	0	45	-1.0	-49.15	353.20	6.90	-42.25
O=C([O-])C1CCN(S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)CC1	REAL300010773171	1	37	-1.0	-50.05	326.26	4.04	-46.01
O=C([O-])CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010773172	0	28	-1.0	-47.68	272.68	4.49	-43.19
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC=C1Br	REAL300010773173	0	22	-1.0	-43.46	251.15	2.92	-40.54
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010773174	0	38	-1.0	-48.88	341.72	-0.88	-49.76
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773175	0	39	-1.0	-48.26	350.12	1.27	-46.99
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773176	0	33	-1.0	-48.64	308.96	-0.45	-49.09
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010773177	0	22	-1.0	-43.57	236.32	2.22	-41.35
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010773178	0	22	-1.0	-41.63	256.78	3.41	-38.22
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773179	0	26	-1.0	-44.93	263.28	1.52	-43.41
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773180	0	33	-1.0	-51.74	290.22	0.26	-51.48
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010773181	0	28	-1.0	-41.21	291.16	3.56	-37.65
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773182	0	34	-1.0	-48.42	322.88	2.85	-45.57
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773183	0	34	-1.0	-54.70	312.25	3.70	-51.00
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010773184	0	25	-1.0	-44.42	255.03	3.64	-40.78
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773185	0	25	-1.0	-42.82	252.87	2.74	-40.08
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1NC(C)=O	REAL300010773186	0	33	-1.0	-54.08	297.45	-0.13	-54.21
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)S1	REAL300010773187	0	19	-1.0	-42.30	226.97	1.27	-41.03
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1Cl	REAL300010773188	0	28	-1.0	-43.23	269.38	3.90	-39.33
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773189	0	26	-1.0	-46.54	255.18	2.00	-44.54
O=C([O-])CNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010773190	0	32	-1.0	-46.57	310.59	1.14	-45.43
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010773191	0	25	-1.0	-43.33	253.76	2.60	-40.73
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010773192	0	22	-1.0	-41.84	252.21	3.30	-38.54
O=C([O-])CNS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010773193	1	22	-1.0	-41.63	238.62	1.97	-39.66
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010773194	0	25	-1.0	-44.93	250.37	2.31	-42.62
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010773195	0	22	-1.0	-41.57	238.65	1.97	-39.60
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010773196	0	25	-1.0	-41.99	268.88	3.04	-38.95
O=C([O-])CNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010773197	0	25	-1.0	-42.37	257.70	2.61	-39.76
O=C([O-])CNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010773198	0	25	-1.0	-44.51	244.70	3.19	-41.32
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010773199	0	33	-1.0	-44.26	319.05	4.97	-39.29
O=C([O-])CNS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010773200	0	22	-1.0	-42.73	236.24	2.36	-40.37
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010773201	0	25	-1.0	-41.16	273.40	3.17	-37.99
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010773202	0	22	-1.0	-42.01	240.38	2.22	-39.79
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300010773203	0	37	-1.0	-45.33	331.57	3.69	-41.64
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C=C1Br	REAL300010773204	0	22	-1.0	-42.52	251.13	2.90	-39.62
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773205	0	29	-1.0	-48.17	283.26	1.07	-47.10
CC(C)OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300010773206	0	38	-1.0	-47.68	322.48	4.81	-42.87
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010773207	0	40	-1.0	-48.06	350.48	1.54	-46.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773208	0	28	-1.0	-45.33	284.87	2.72	-42.61
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773209	0	31	-1.0	-57.18	298.39	-0.24	-57.42
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773210	0	36	-1.0	-59.18	306.34	3.19	-55.99
O=C([O-])CNS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010773211	0	22	-1.0	-43.80	236.25	2.36	-41.44
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010773212	0	25	-1.0	-46.52	258.42	2.88	-43.64
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010773213	0	22	-1.0	-41.78	249.50	2.63	-39.15
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773214	0	35	-1.0	-53.06	317.05	1.35	-51.71
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773215	0	36	-1.0	-52.00	315.79	0.39	-51.61
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773216	0	38	-1.0	-44.60	325.29	3.88	-40.72
O=C([O-])CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010773217	0	26	-1.0	-45.18	268.65	1.68	-43.50
O=C([O-])CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010773218	0	37	-1.0	-46.81	319.47	1.06	-45.75
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773219	0	25	-1.0	-46.06	251.25	2.97	-43.09
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773220	0	28	-1.0	-52.48	275.74	-0.87	-53.35
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773221	0	28	-1.0	-50.45	274.30	3.57	-46.88
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=C(Br)C=C21	REAL300010773222	0	32	-1.0	-46.37	309.57	3.21	-43.16
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773223	0	28	-1.0	-44.81	289.45	2.82	-41.99
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773224	0	26	-1.0	-48.52	257.65	2.30	-46.22
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773225	0	39	-1.0	-50.33	355.08	0.64	-49.69
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1OC	REAL300010773226	0	32	-1.0	-47.95	295.45	2.25	-45.70
CS(=O)(=O)N1CCN(S(=O)(=O)NCC(=O)[O-])CC1	REAL300010773227	0	32	-1.0	-53.40	284.07	-2.87	-56.27
O=C([O-])CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010773228	0	31	-1.0	-53.32	282.04	1.62	-51.70
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010773229	0	35	-1.0	-51.75	317.56	4.49	-47.26
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC(=O)[O-])=C1F	REAL300010773231	0	28	-1.0	-48.91	273.82	2.03	-46.88
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Cl)=C1Cl	REAL300010773232	0	26	-1.0	-47.52	258.96	1.42	-46.10
CC1=C(S(=O)(=O)NCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010773233	0	32	-1.0	-44.80	306.33	3.63	-41.17
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(Br)O1	REAL300010773234	0	25	-1.0	-41.28	262.47	0.55	-40.73
CC1=C(S(=O)(=O)NCC(=O)[O-])C=C(Br)S1	REAL300010773235	0	22	-1.0	-42.09	243.74	2.10	-39.99
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773236	0	28	-1.0	-48.18	269.75	2.26	-45.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773237	0	31	-1.0	-53.92	288.81	-0.03	-53.95
N#CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(C(F)(F)F)=C1	REAL300010773238	0	26	-1.0	-46.11	259.01	3.51	-42.60
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773239	0	38	-1.0	-48.02	325.59	3.32	-44.70
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010773240	0	34	-1.0	-48.61	322.37	-0.60	-49.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773241	0	30	-1.0	-49.22	289.97	-2.28	-51.50
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773242	0	32	-1.0	-52.63	309.48	0.48	-52.15
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC(=O)[O-])=C(C)N1	REAL300010773243	0	35	-1.0	-46.66	309.37	2.23	-44.43
O=C([O-])CNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010773244	0	22	-1.0	-48.22	233.00	2.49	-45.73
CC1=NC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])S2)=CS1	REAL300010773245	0	28	-1.0	-46.06	292.81	2.11	-43.95
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010773246	0	42	-1.0	-44.42	347.93	5.17	-39.25
O=C([O-])CNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010773247	0	32	-1.0	-50.79	310.63	1.13	-49.66
O=C([O-])CNS(=O)(=O)C1=CC=CC(I)=C1	REAL300010773248	0	22	-1.0	-43.84	241.16	2.64	-41.20
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010773249	1	24	-1.0	-47.57	259.49	4.27	-43.30
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773250	0	28	-1.0	-45.28	284.54	2.94	-42.34
CC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773251	0	25	-1.0	-45.61	262.65	3.69	-41.92
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773252	0	25	-1.0	-44.57	252.87	2.75	-41.82
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010773253	0	26	-1.0	-45.80	265.51	-0.89	-46.69
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010773254	0	27	-1.0	-43.50	266.53	3.79	-39.71
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773255	0	31	-1.0	-44.48	311.31	3.75	-40.73
CC1=C(Br)SC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773256	0	22	-1.0	-42.43	246.57	1.87	-40.56
CC1=C(Br)C=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010773257	0	27	-1.0	-42.55	278.11	3.36	-39.19
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC(F)=C1F	REAL300010773258	0	28	-1.0	-43.09	278.99	2.29	-40.80
CC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1Br	REAL300010773259	0	25	-1.0	-46.78	248.04	2.85	-43.93
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773260	0	28	-1.0	-44.00	284.43	2.68	-41.32
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300010773261	0	35	-1.0	-48.01	304.55	4.17	-43.84
CS(=O)(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773262	0	28	-1.0	-53.51	290.57	-0.18	-53.69
O=C([O-])CNS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010773263	0	36	-1.0	-50.85	331.57	3.64	-47.21
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010773264	0	24	-1.0	-44.88	257.77	2.67	-42.21
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773265	0	36	-1.0	-47.51	320.21	2.01	-45.50
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773266	0	38	-1.0	-44.67	329.22	4.14	-40.53
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(Cl)C=C1Cl	REAL300010773267	0	28	-1.0	-42.73	282.26	2.65	-40.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773268	0	32	-1.0	-50.99	288.54	2.02	-48.97
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773269	0	34	-1.0	-48.71	299.76	3.63	-45.08
O=C([O-])CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010773270	0	26	-1.0	-43.03	269.75	3.01	-40.02
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773271	0	36	-1.0	-45.84	324.43	-0.52	-46.36
O=C([O-])CNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010773272	0	22	-1.0	-42.02	240.38	2.22	-39.80
O=C([O-])CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010773273	0	29	-1.0	-59.13	277.99	-0.59	-59.72
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773274	0	25	-1.0	-43.47	246.81	2.85	-40.62
COC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773275	0	26	-1.0	-43.08	263.29	1.52	-41.56
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773276	0	30	-1.0	-47.46	292.33	-1.67	-49.13
CCC(=O)NCC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1OC	REAL300010773277	0	39	-1.0	-50.83	344.28	0.72	-50.11
COC1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773278	0	26	-1.0	-46.55	259.33	1.59	-44.96
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773279	0	31	-1.0	-51.07	295.53	-0.03	-51.10
O=C([O-])CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010773280	0	24	-1.0	-43.07	261.64	1.46	-41.61
N#CC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773281	0	23	-1.0	-42.80	255.48	2.56	-40.24
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773282	0	29	-1.0	-44.56	285.13	2.45	-42.11
O=C([O-])CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010773283	0	27	-1.0	-44.71	264.04	-2.98	-47.69
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2S1	REAL300010773284	0	36	-1.0	-45.34	326.35	3.50	-41.84
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773285	0	27	-1.0	-48.87	270.32	1.68	-47.19
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773286	0	38	-1.0	-55.06	349.82	0.22	-54.84
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773287	0	30	-1.0	-51.21	289.99	-2.29	-53.50
O=C([O-])CNS(=O)(=O)C1=C(Br)C=C(F)C=C1Br	REAL300010773288	0	22	-1.0	-41.28	247.64	3.10	-38.18
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010773289	0	43	-1.0	-52.44	353.72	1.87	-50.57
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773290	0	43	-1.0	-48.60	365.22	2.44	-46.16
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773291	0	34	-1.0	-44.50	311.48	3.93	-40.57
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010773292	0	40	-1.0	-50.82	350.49	1.53	-49.29
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010773293	0	28	-1.0	-46.08	274.30	1.45	-44.63
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300010773294	0	28	-1.0	-46.66	301.08	2.84	-43.82
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773295	0	25	-1.0	-43.39	250.20	2.97	-40.42
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773296	0	38	-1.0	-49.80	328.49	2.48	-47.32
COC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1OC	REAL300010773297	0	30	-1.0	-45.11	288.52	1.50	-43.61
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1OCC	REAL300010773298	0	36	-1.0	-46.22	315.81	2.60	-43.62
CC(=O)N1CCCC2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300010773299	0	36	-1.0	-53.63	305.26	3.15	-50.48
CC(=O)N1C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2CC1C	REAL300010773300	0	36	-1.0	-52.25	307.94	3.13	-49.12
N#CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(F)(F)F	REAL300010773301	0	26	-1.0	-43.78	270.02	2.73	-41.05
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010773302	0	28	-1.0	-46.57	265.69	-1.16	-47.73
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010773303	0	34	-1.0	-50.94	322.36	-0.60	-51.54
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC(=O)[O-]	REAL300010773304	0	30	-1.0	-47.05	281.16	3.12	-43.93
O=C([O-])CNS(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1	REAL300010773305	0	31	-1.0	-50.40	323.33	2.98	-47.42
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773306	0	26	-1.0	-42.47	276.67	2.58	-39.89
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773307	0	33	-1.0	-50.37	308.11	-0.41	-50.78
O=C([O-])CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010773308	0	34	-1.0	-54.71	299.30	0.89	-53.82
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773309	0	29	-1.0	-46.88	277.03	2.92	-43.96
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010773310	0	25	-1.0	-42.12	265.28	2.96	-39.16
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010773311	0	25	-1.0	-44.14	253.77	2.61	-41.53
COC(=O)C1=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C2S1	REAL300010773312	0	31	-1.0	-50.13	299.46	4.26	-45.87
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010773313	0	30	-1.0	-48.49	289.64	1.46	-47.03
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(=O)N(C)C	REAL300010773314	0	36	-1.0	-48.77	316.01	1.13	-47.64
CC1CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC(Cl)=C2O1	REAL300010773315	0	30	-1.0	-44.61	287.14	2.66	-41.95
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010773316	0	36	-1.0	-42.81	328.28	4.16	-38.65
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(=O)[O-])C=N1	REAL300010773317	0	33	-1.0	-51.03	301.10	2.31	-48.72
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1Br	REAL300010773318	0	28	-1.0	-43.35	282.63	2.45	-40.90
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773319	0	31	-1.0	-44.85	306.40	3.87	-40.98
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010773320	0	28	-1.0	-45.39	280.49	-0.47	-45.86
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010773321	0	30	-1.0	-49.11	274.83	0.78	-48.33
O=C([O-])CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010773322	0	33	-1.0	-46.76	297.59	5.67	-41.09
COC(=O)COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773323	0	32	-1.0	-50.28	299.23	2.47	-47.81
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773324	0	35	-1.0	-47.98	320.19	2.62	-45.36
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010773325	0	25	-1.0	-48.67	251.08	3.68	-44.99
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010773326	0	24	-1.0	-48.96	252.19	3.66	-45.30
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010773327	0	24	-1.0	-41.75	258.05	2.97	-38.78
O=C([O-])CNS(=O)(=O)C1=C(Br)C=CS1	REAL300010773328	0	19	-1.0	-44.05	221.52	0.97	-43.08
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010773329	0	30	-1.0	-49.09	271.42	0.49	-48.60
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010773330	0	21	-1.0	-42.67	231.57	0.33	-42.34
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010773331	0	24	-1.0	-41.95	257.77	2.68	-39.27
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010773332	0	29	-1.0	-46.04	284.28	2.24	-43.80
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010773333	0	24	-1.0	-49.78	252.17	3.65	-46.13
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010773334	0	36	-1.0	-45.97	324.62	4.83	-41.14
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773335	0	30	-1.0	-50.56	285.17	-1.98	-52.54
COC1=C(S(=O)(=O)NCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010773336	0	31	-1.0	-48.17	292.42	2.78	-45.39
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773337	0	28	-1.0	-47.81	284.57	2.95	-44.86
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773338	0	30	-1.0	-51.36	290.44	-1.83	-53.19
CS(=O)(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1F	REAL300010773339	0	28	-1.0	-50.35	278.46	-0.90	-51.25
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773340	0	29	-1.0	-46.79	273.34	2.56	-44.23
CC1=CN(C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2F)N=C1	REAL300010773341	0	32	-1.0	-49.97	297.98	3.59	-46.38
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773342	0	29	-1.0	-46.27	286.89	0.49	-45.78
CC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010773343	0	27	-1.0	-44.34	259.30	2.79	-41.55
O=C([O-])CNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010773344	0	19	-1.0	-41.08	230.43	1.37	-39.71
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010773345	0	34	-1.0	-47.62	307.09	3.53	-44.09
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010773346	0	22	-1.0	-44.98	232.93	1.93	-43.05
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010773347	0	28	-1.0	-46.98	286.20	2.29	-44.69
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010773348	0	25	-1.0	-47.36	263.74	2.91	-44.45
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300010773349	0	33	-1.0	-49.32	330.19	-0.99	-50.31
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010773350	0	24	-1.0	-44.33	258.07	2.96	-41.37
O=C([O-])CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010773351	0	34	-1.0	-58.77	309.96	0.06	-58.71
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CN=C2S1	REAL300010773352	0	36	-1.0	-44.35	337.78	3.17	-41.18
O=C([O-])CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010773353	0	29	-1.0	-46.83	283.12	2.05	-44.78
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010773354	0	22	-1.0	-44.15	236.33	2.23	-41.92
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773355	0	30	-1.0	-46.96	283.77	1.36	-45.60
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC(=O)[O-])=CN=C21	REAL300010773356	0	30	-1.0	-44.66	282.71	-0.96	-45.62
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(Br)C=C1Cl	REAL300010773357	0	28	-1.0	-42.06	297.08	3.33	-38.73
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773358	0	31	-1.0	-47.39	306.44	3.87	-43.52
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(Br)C=C1F	REAL300010773359	0	28	-1.0	-42.67	289.09	2.97	-39.70
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1F	REAL300010773360	0	31	-1.0	-45.36	294.57	3.16	-42.20
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010773361	0	30	-1.0	-51.39	275.19	2.19	-49.20
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773362	0	39	-1.0	-48.16	351.79	1.33	-46.83
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010773363	0	25	-1.0	-43.92	269.00	3.49	-40.43
CC1=C(S(=O)(=O)NCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010773364	0	28	-1.0	-45.11	277.20	4.30	-40.81
O=C([O-])CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010773365	0	25	-1.0	-46.93	256.12	2.95	-43.98
COC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773366	0	26	-1.0	-43.43	275.33	2.14	-41.29
O=C([O-])CNS(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010773367	1	19	-1.0	-41.55	241.42	1.54	-40.01
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C2O1	REAL300010773368	0	36	-1.0	-48.89	326.85	3.79	-45.10
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773369	0	28	-1.0	-48.51	278.47	-0.90	-49.41
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773370	0	35	-1.0	-50.78	320.78	3.12	-47.66
O=C([O-])CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010773371	0	33	-1.0	-52.51	313.38	-1.39	-53.90
CC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773372	0	25	-1.0	-43.53	269.33	3.47	-40.06
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773373	0	27	-1.0	-43.50	268.76	3.49	-40.01
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773374	0	28	-1.0	-49.23	274.14	3.56	-45.67
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010773375	0	38	-1.0	-49.12	333.05	-0.78	-49.90
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010773376	0	37	-1.0	-51.46	335.30	0.69	-50.77
CC1CC(C)CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C1	REAL300010773377	0	46	-1.0	-47.59	392.16	2.72	-44.87
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773378	0	41	-1.0	-55.00	313.54	4.61	-50.39
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773379	0	29	-1.0	-50.24	281.47	0.84	-49.40
COC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773380	0	26	-1.0	-43.96	260.51	1.47	-42.49
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773381	0	34	-1.0	-48.62	301.29	0.55	-48.07
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773382	0	31	-1.0	-50.27	296.61	4.06	-46.21
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010773383	0	33	-1.0	-46.12	318.76	4.91	-41.21
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010773384	0	24	-1.0	-41.57	262.88	2.85	-38.72
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773385	0	26	-1.0	-42.76	269.09	2.16	-40.60
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=C1	REAL300010773386	0	36	-1.0	-45.40	323.48	5.06	-40.34
CN(CCS(=O)(=O)NCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010773387	0	36	-1.0	-52.32	339.98	0.51	-51.81
O=C([O-])CNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010773388	0	22	-1.0	-42.56	241.13	2.65	-39.91
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300010773389	0	39	-1.0	-47.94	360.13	3.19	-44.75
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(C(=O)OC)S1	REAL300010773390	0	31	-1.0	-50.58	308.58	2.78	-47.80
O=C([O-])CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010773391	0	35	-1.0	-52.76	334.45	3.73	-49.03
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010773392	0	39	-1.0	-55.86	350.34	1.27	-54.59
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010773393	0	28	-1.0	-46.76	296.52	2.74	-44.02
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300010773394	0	28	-1.0	-49.71	301.08	2.83	-46.88
CC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773396	0	22	-1.0	-44.04	243.34	1.77	-42.27
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010773397	0	27	-1.0	-48.83	269.26	2.12	-46.71
CC1=C(Br)SC(S(=O)(=O)NCC(=O)[O-])=N1	REAL300010773398	1	21	-1.0	-42.29	241.72	-0.22	-42.51
O=C([O-])CNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010773399	0	26	-1.0	-44.63	266.14	0.42	-44.21
CC1=NN2C=C(S(=O)(=O)NCC(=O)[O-])C=NC2=C1Cl	REAL300010773400	0	27	-1.0	-44.69	272.81	1.41	-43.28
CCCCCCN1C=C(S(=O)(=O)NCC(=O)[O-])C(=O)NC1=O	REAL300010773401	0	40	-1.0	-53.22	344.36	2.15	-51.07
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCC(=O)[O-])C=CC1=C23	REAL300010773403	0	33	-1.0	-48.38	299.23	3.45	-44.93
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300010773404	0	40	-1.0	-52.29	354.04	-0.32	-52.61
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300010773405	0	37	-1.0	-52.52	332.54	-1.12	-53.64
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773406	1	37	-1.0	-48.11	333.24	-1.20	-49.31
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773407	0	36	-1.0	-46.21	335.29	0.01	-46.20
O=C([O-])CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300010773408	0	26	-1.0	-41.62	275.80	2.09	-39.53
O=C([O-])CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010773409	0	36	-1.0	-49.45	319.25	2.75	-46.70
O=C([O-])CNS(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010773410	0	25	-1.0	-44.99	269.30	0.38	-44.61
CC1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773411	0	25	-1.0	-46.15	251.27	2.96	-43.19
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773412	0	33	-1.0	-46.50	313.79	-0.78	-47.28
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC(=O)[O-])C=CC=C12	REAL300010773413	0	33	-1.0	-45.93	300.03	2.59	-43.34
O=C([O-])CNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010773414	0	32	-1.0	-45.43	308.84	5.59	-39.84
O=C([O-])CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010773415	0	25	-1.0	-45.66	270.57	3.32	-42.34
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773416	0	30	-1.0	-62.01	285.54	-0.32	-62.33
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010773417	0	22	-1.0	-41.51	244.15	2.96	-38.55
CS(=O)(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(Cl)S1	REAL300010773418	0	25	-1.0	-50.48	271.59	-1.76	-52.24
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773419	0	41	-1.0	-51.86	368.20	2.53	-49.33
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773420	0	36	-1.0	-52.28	348.67	-0.82	-53.10
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773421	0	31	-1.0	-50.06	302.62	1.46	-48.60
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773422	0	32	-1.0	-47.25	303.09	2.09	-45.16
CC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773423	0	27	-1.0	-43.55	270.94	2.59	-40.96
CN1C=C(S(=O)(=O)NCC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010773424	0	33	-1.0	-47.67	318.11	0.51	-47.16
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)CC1	REAL300010773425	0	35	-1.0	-47.81	311.69	4.18	-43.63
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300010773426	0	35	-1.0	-55.35	306.39	2.94	-52.41
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010773427	0	28	-1.0	-43.36	281.97	-0.36	-43.72
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1I	REAL300010773428	0	28	-1.0	-43.57	289.91	3.10	-40.47
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773429	0	31	-1.0	-44.70	296.42	3.20	-41.50
O=C([O-])CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010773430	0	39	-1.0	-56.49	330.61	3.46	-53.03
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773431	0	35	-1.0	-45.65	324.34	3.14	-42.51
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773432	0	26	-1.0	-43.53	260.87	2.04	-41.49
O=C([O-])CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010773433	0	42	-1.0	-52.50	337.47	3.29	-49.21
O=C([O-])CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010773434	0	39	-1.0	-55.11	343.39	3.85	-51.26
O=C([O-])CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010773435	0	33	-1.0	-48.54	311.66	2.27	-46.27
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774001	0	39	-1.0	-58.86	323.47	1.71	-57.15
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010774002	0	45	-1.0	-47.43	351.05	6.29	-41.14
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774003	0	42	-1.0	-48.34	333.72	5.11	-43.23
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCCC1	REAL300010774004	0	37	-1.0	-64.60	311.62	4.45	-60.15
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCCC1	REAL300010774005	0	39	-1.0	-58.52	324.26	5.29	-53.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)CCCC1	REAL300010774006	0	34	-1.0	-50.13	307.75	5.40	-44.73
N#CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774007	0	33	-1.0	-40.73	283.33	3.92	-36.81
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774008	0	46	-1.0	-59.88	370.18	4.73	-55.15
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774009	0	48	-1.0	-57.39	379.19	6.86	-50.53
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010774010	0	34	-1.0	-65.00	294.08	6.23	-58.77
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010774011	0	38	-1.0	-53.73	322.67	4.95	-48.78
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(Cl)C=C1Cl	REAL300010774012	0	38	-1.0	-39.33	340.72	5.36	-33.97
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774013	0	42	-1.0	-50.22	343.77	4.15	-46.07
COC(=O)C1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774014	0	35	-1.0	-55.34	310.20	3.92	-51.42
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774015	0	44	-1.0	-68.40	351.50	6.32	-62.08
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C	REAL300010774016	0	41	-1.0	-59.38	333.01	5.48	-53.90
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774017	0	38	-1.0	-64.10	323.11	4.93	-59.17
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2CCCC3)CCCC1	REAL300010774018	0	42	-1.0	-59.67	314.88	6.73	-52.94
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCCC1	REAL300010774019	0	38	-1.0	-59.98	308.78	5.83	-54.15
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(Br)=C2)CCCC1	REAL300010774020	0	31	-1.0	-52.84	279.69	3.09	-49.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCCC1	REAL300010774021	0	36	-1.0	-56.23	319.73	5.73	-50.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)CCCC1	REAL300010774022	0	32	-1.0	-55.13	290.35	4.93	-50.20
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCCC1	REAL300010774023	0	39	-1.0	-81.19	327.97	2.02	-79.17
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774024	0	35	-1.0	-39.45	292.55	4.95	-34.50
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300010774025	0	36	-1.0	-53.31	313.26	4.11	-49.20
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300010774026	0	43	-1.0	-57.30	340.80	5.39	-51.91
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774027	0	40	-1.0	-58.79	342.19	1.18	-57.61
CCC(=O)NCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1OC	REAL300010774028	0	49	-1.0	-64.72	394.26	3.43	-61.29
COC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774029	0	36	-1.0	-43.42	306.25	3.76	-39.66
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774030	0	41	-1.0	-68.05	345.53	2.68	-65.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CCCC1	REAL300010774031	0	34	-1.0	-53.06	311.60	4.04	-49.02
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774032	0	37	-1.0	-48.27	313.92	4.70	-43.57
N#CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774033	0	33	-1.0	-52.25	305.46	5.14	-47.11
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774034	0	39	-1.0	-58.73	335.11	5.16	-53.57
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CCCC1	REAL300010774035	0	37	-1.0	-52.39	314.00	-0.36	-52.75
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2S1	REAL300010774036	0	46	-1.0	-56.23	376.33	6.08	-50.15
COC(=O)CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774037	0	41	-1.0	-49.45	330.55	4.28	-45.17
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774038	0	37	-1.0	-55.28	319.64	4.43	-50.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C3COCC3=C2)CCCC1	REAL300010774039	0	37	-1.0	-58.59	299.33	3.57	-55.02
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCCC1	REAL300010774040	0	40	-1.0	-68.34	324.15	5.32	-63.02
O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCCC1	REAL300010774041	0	38	-1.0	-69.23	308.34	0.87	-68.36
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774042	0	42	-1.0	-60.76	343.15	5.19	-55.57
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCCC1	REAL300010774043	0	37	-1.0	-58.07	311.62	4.45	-53.62
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300010774044	0	42	-1.0	-45.67	329.37	4.84	-40.83
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774045	0	40	-1.0	-58.77	338.85	0.50	-58.27
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774046	0	41	-1.0	-47.12	329.18	5.59	-41.53
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CCCC1	REAL300010774047	0	36	-1.0	-45.14	299.91	3.97	-41.17
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774048	0	36	-1.0	-57.92	303.55	5.29	-52.63
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774049	0	44	-1.0	-56.80	361.47	6.65	-50.15
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300010774050	0	38	-1.0	-60.10	323.09	5.77	-54.33
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774051	0	43	-1.0	-58.33	329.81	5.95	-52.38
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCCC1	REAL300010774052	0	31	-1.0	-50.77	289.17	3.44	-47.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CCCC1	REAL300010774053	0	38	-1.0	-60.75	306.46	3.86	-56.89
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CCCC1	REAL300010774054	0	37	-1.0	-45.73	296.01	4.12	-41.61
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774055	0	35	-1.0	-59.68	296.87	5.51	-54.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CCCC1	REAL300010774056	0	40	-1.0	-58.80	323.15	3.46	-55.34
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774057	0	48	-1.0	-58.65	377.29	5.21	-53.44
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OCC	REAL300010774058	0	46	-1.0	-58.91	365.79	5.32	-53.59
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(=O)N(C)C1=O	REAL300010774059	0	38	-1.0	-52.61	302.38	3.13	-49.48
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774060	0	38	-1.0	-59.60	299.27	3.15	-56.45
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774061	0	37	-1.0	-60.28	317.53	-0.90	-61.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)CCCC1	REAL300010774062	0	43	-1.0	-69.87	340.88	5.27	-64.60
CC(=O)N1CCCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774063	0	46	-1.0	-70.17	355.43	5.91	-64.26
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010774064	0	40	-1.0	-64.99	325.03	6.35	-58.64
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774065	0	38	-1.0	-57.56	318.11	4.93	-52.63
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774066	0	43	-1.0	-61.69	343.94	5.26	-56.43
CNC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774067	0	39	-1.0	-62.79	319.78	2.55	-60.24
NC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774068	0	36	-1.0	-58.10	297.85	1.05	-57.05
CC(=O)N1C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2CC1C	REAL300010774069	0	46	-1.0	-68.57	356.86	5.86	-62.71
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=CS1	REAL300010774070	0	35	-1.0	-43.61	299.05	4.10	-39.51
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774071	0	35	-1.0	-54.77	309.64	4.04	-50.73
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(F)(F)F	REAL300010774072	0	36	-1.0	-49.11	319.97	5.32	-43.79
CCOC(=O)C1=CNN=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774073	0	38	-1.0	-53.28	316.01	2.75	-50.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)CCCC1	REAL300010774074	0	38	-1.0	-59.01	319.89	1.26	-57.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CCCC1	REAL300010774075	0	38	-1.0	-55.82	314.07	1.36	-54.46
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)CCCC1	REAL300010774076	0	38	-1.0	-57.15	326.15	2.03	-55.12
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2N=C1	REAL300010774077	0	40	-1.0	-64.88	325.59	5.59	-59.29
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=C1	REAL300010774078	0	38	-1.0	-57.56	310.81	5.07	-52.49
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774079	0	36	-1.0	-41.74	307.12	4.17	-37.57
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCCC1	REAL300010774080	0	36	-1.0	-40.40	304.45	4.39	-36.01
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774081	0	37	-1.0	-67.20	317.54	-0.77	-67.97
COC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774082	0	38	-1.0	-67.12	318.15	4.93	-62.19
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CCCC1	REAL300010774083	0	44	-1.0	-59.68	372.36	2.12	-57.56
O=C([O-])C1(NS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CCCC1	REAL300010774084	0	37	-1.0	-61.12	312.56	5.45	-55.67
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2)CCCC1	REAL300010774085	0	35	-1.0	-60.47	291.36	4.75	-55.72
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Cl)=C1	REAL300010774086	0	35	-1.0	-58.44	298.44	5.57	-52.87
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)CCCC1	REAL300010774087	0	38	-1.0	-55.58	317.73	0.71	-54.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774088	0	38	-1.0	-63.00	324.05	1.66	-61.34
CN1C(=O)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2C1=O	REAL300010774089	0	39	-1.0	-51.90	328.96	3.40	-48.50
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774090	0	40	-1.0	-57.84	332.58	6.23	-51.61
CC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774091	0	35	-1.0	-42.39	284.44	4.69	-37.70
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CC=C3C2)CCCC1	REAL300010774092	0	41	-1.0	-56.71	310.85	5.21	-51.50
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CN=C12	REAL300010774093	0	40	-1.0	-46.74	316.15	4.95	-41.79
CN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774094	0	38	-1.0	-64.61	317.45	4.10	-60.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CCCC1	REAL300010774095	0	37	-1.0	-54.58	309.94	5.81	-48.77
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774096	0	40	-1.0	-60.76	316.18	6.78	-53.98
CCOC(=O)C1CCCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300010774097	0	46	-1.0	-60.97	350.31	4.79	-56.18
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCCC1	REAL300010774098	0	36	-1.0	-57.57	309.35	4.07	-53.50
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774099	0	43	-1.0	-65.40	358.11	2.31	-63.09
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C=C2Cl)CCCC1	REAL300010774100	0	32	-1.0	-53.35	283.42	4.97	-48.38
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCC1	REAL300010774101	0	34	-1.0	-57.81	296.57	6.13	-51.68
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCCC1	REAL300010774102	0	44	-1.0	-60.22	348.93	3.53	-56.69
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCCC1	REAL300010774103	0	42	-1.0	-52.22	336.01	7.74	-44.48
CC1CC(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300010774104	0	43	-1.0	-58.29	312.15	4.28	-54.01
CCOC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774105	0	41	-1.0	-66.94	340.01	5.85	-61.09
CCOC(=O)N1CCC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774106	0	46	-1.0	-40.99	352.32	3.69	-37.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2)CCCC1	REAL300010774107	0	32	-1.0	-54.86	280.08	4.79	-50.07
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CCCC1	REAL300010774108	0	32	-1.0	-54.70	284.65	4.90	-49.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCCC1	REAL300010774109	0	34	-1.0	-52.02	291.56	4.81	-47.21
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCCC1	REAL300010774110	0	38	-1.0	-59.41	308.21	6.59	-52.82
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774111	0	39	-1.0	-60.05	318.53	3.19	-56.86
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774112	0	37	-1.0	-41.51	302.18	5.05	-36.46
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300010774113	0	34	-1.0	-61.94	281.40	5.78	-56.16
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774114	0	39	-1.0	-46.28	333.61	5.05	-41.23
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774115	0	39	-1.0	-57.91	314.70	4.49	-53.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C=C2F)CCCC1	REAL300010774116	0	32	-1.0	-54.01	276.01	4.43	-49.58
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(F)=C2)CCCC1	REAL300010774117	0	32	-1.0	-52.98	276.16	4.27	-48.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CCCC1	REAL300010774118	0	38	-1.0	-61.80	307.83	3.29	-58.51
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300010774119	0	41	-1.0	-58.64	314.97	6.81	-51.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774120	0	47	-1.0	-61.56	351.78	7.21	-54.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CCCC1	REAL300010774121	0	32	-1.0	-55.06	295.27	5.24	-49.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(F)=C2)CCCC1	REAL300010774122	0	32	-1.0	-55.87	276.05	4.39	-51.48
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)CCCC1	REAL300010774123	0	32	-1.0	-55.83	292.23	5.32	-50.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300010774124	0	35	-1.0	-59.64	302.42	5.28	-54.36
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCCC1	REAL300010774125	0	35	-1.0	-58.95	286.94	5.85	-53.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CCCC1	REAL300010774126	0	35	-1.0	-50.73	315.25	5.69	-45.04
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2)CCCC1	REAL300010774127	0	32	-1.0	-58.72	280.08	4.78	-53.94
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)CCCC1	REAL300010774128	0	35	-1.0	-56.49	314.21	5.80	-50.69
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774129	0	37	-1.0	-62.12	304.59	4.68	-57.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)CCCC1	REAL300010774130	0	32	-1.0	-51.30	285.94	4.84	-46.46
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774131	0	37	-1.0	-71.82	303.85	4.66	-67.16
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=CO1	REAL300010774132	0	41	-1.0	-59.40	339.74	3.33	-56.07
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)CCCC1	REAL300010774133	0	31	-1.0	-49.83	290.45	3.37	-46.46
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300010774134	0	35	-1.0	-61.15	293.87	4.90	-56.25
COC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774135	0	36	-1.0	-43.70	302.98	3.61	-40.09
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2S1	REAL300010774136	0	41	-1.0	-62.69	343.75	7.11	-55.58
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774137	0	41	-1.0	-64.32	340.31	5.72	-58.60
O=C([O-])C1(NS(=O)(=O)C2CC3=CC=CC=C3C2)CCCC1	REAL300010774138	0	39	-1.0	-47.20	309.44	5.83	-41.37
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=N2)C=C1	REAL300010774139	0	42	-1.0	-58.80	345.69	5.89	-52.91
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774140	0	43	-1.0	-83.61	343.85	5.27	-78.34
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774141	0	33	-1.0	-39.73	292.83	4.30	-35.43
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774142	0	36	-1.0	-62.68	296.35	5.29	-57.39
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(=O)N(C)C	REAL300010774143	0	46	-1.0	-57.23	366.00	3.86	-53.37
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC(Cl)=C2O1	REAL300010774144	0	40	-1.0	-58.32	337.12	5.38	-52.94
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1[N+](=O)[O-]	REAL300010774145	0	37	-1.0	-51.67	306.55	5.50	-46.17
COC(=O)C1=COC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774146	0	35	-1.0	-57.48	304.85	3.07	-54.41
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774147	0	43	-1.0	-58.66	351.46	4.94	-53.72
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCCC1	REAL300010774148	0	34	-1.0	-56.88	295.32	3.65	-53.23
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774149	0	42	-1.0	-61.34	329.84	4.56	-56.78
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)SC=C1	REAL300010774150	0	33	-1.0	-63.39	281.47	3.23	-60.16
CC(=O)NC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C	REAL300010774151	0	42	-1.0	-76.20	335.65	4.01	-72.19
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774152	0	44	-1.0	-57.98	336.60	4.86	-53.12
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN=C1Cl	REAL300010774153	0	34	-1.0	-51.46	294.01	3.50	-47.96
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)CCCC1	REAL300010774154	0	38	-1.0	-58.36	313.60	3.39	-54.97
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774155	0	41	-1.0	-59.03	335.27	5.92	-53.11
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C#N	REAL300010774156	0	36	-1.0	-41.91	296.48	4.39	-37.52
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(OC)=C1	REAL300010774157	0	40	-1.0	-61.24	322.31	2.74	-58.50
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774158	0	38	-1.0	-70.15	311.60	5.50	-64.65
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1CC	REAL300010774159	0	44	-1.0	-59.82	340.40	6.71	-53.11
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774160	0	40	-1.0	-51.60	321.06	6.80	-44.80
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C)O1	REAL300010774161	0	38	-1.0	-44.90	317.10	3.24	-41.66
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774162	0	33	-1.0	-40.93	283.35	1.06	-39.87
COC(=O)C1=NSC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774163	0	34	-1.0	-42.92	294.15	2.59	-40.33
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(C)=C1F	REAL300010774164	0	38	-1.0	-54.15	310.38	5.50	-48.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CCCC1	REAL300010774165	0	40	-1.0	-62.59	321.82	2.79	-59.80
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1C	REAL300010774166	0	39	-1.0	-67.17	323.61	4.42	-62.75
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(Cl)=C2)CCCC1	REAL300010774167	0	32	-1.0	-53.33	286.49	4.86	-48.47
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(Cl)=C2)CCCC1	REAL300010774168	0	31	-1.0	-53.02	275.12	2.99	-50.03
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774169	0	43	-1.0	-55.92	345.95	6.11	-49.81
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)CCCC1	REAL300010774170	0	35	-1.0	-55.39	309.59	5.55	-49.84
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(N)=O	REAL300010774171	0	37	-1.0	-58.68	304.92	0.46	-58.22
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774172	0	35	-1.0	-42.32	294.78	5.13	-37.19
CCOC(=O)C1CCCN1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774173	0	43	-1.0	-67.47	335.82	5.27	-62.20
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1C	REAL300010774174	0	40	-1.0	-58.47	327.78	1.82	-56.65
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300010774175	0	42	-1.0	-56.18	320.87	5.36	-50.82
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)CCCC1	REAL300010774176	0	40	-1.0	-43.09	333.29	3.51	-39.58
COC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774177	0	41	-1.0	-63.50	339.76	5.34	-58.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)CCCC1	REAL300010774178	0	43	-1.0	-60.32	338.84	4.40	-55.92
COC(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774179	0	41	-1.0	-69.36	341.81	5.65	-63.71
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)O1	REAL300010774180	0	38	-1.0	-58.05	325.55	4.23	-53.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCCC1	REAL300010774181	0	43	-1.0	-58.77	347.56	8.39	-50.38
COC(=O)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774182	0	42	-1.0	-63.89	349.20	5.19	-58.70
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774183	0	45	-1.0	-59.86	370.16	5.34	-54.52
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774184	0	42	-1.0	-51.02	331.16	4.84	-46.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)CCCC1	REAL300010774185	0	36	-1.0	-57.78	301.69	4.49	-53.29
CCOC(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774186	0	40	-1.0	-67.23	323.27	4.27	-62.96
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCCC1	REAL300010774187	0	35	-1.0	-56.97	293.44	5.92	-51.05
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCCC1	REAL300010774188	0	34	-1.0	-53.99	302.64	6.39	-47.60
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774189	0	37	-1.0	-60.12	295.03	6.66	-53.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)CCCC1	REAL300010774190	0	34	-1.0	-50.22	308.23	5.73	-44.49
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=CS2)CCCC1	REAL300010774191	0	29	-1.0	-56.49	271.71	3.95	-52.54
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2COC3=O)CCCC1	REAL300010774192	0	36	-1.0	-40.90	298.56	4.03	-36.87
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CN=C2C=C1	REAL300010774193	0	40	-1.0	-56.53	307.26	5.31	-51.22
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)N=C2)CCCC1	REAL300010774194	0	34	-1.0	-60.46	296.06	3.42	-57.04
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)CCCC1	REAL300010774195	0	40	-1.0	-57.23	329.92	3.56	-53.67
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CCCC1	REAL300010774196	0	37	-1.0	-44.52	296.94	4.23	-40.29
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CN=C2Cl)CCCC1	REAL300010774197	0	31	-1.0	-38.48	290.64	2.95	-35.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CCCC1	REAL300010774198	0	34	-1.0	-51.09	297.81	5.05	-46.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)CCCC1	REAL300010774199	0	34	-1.0	-49.46	307.74	5.40	-44.06
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774200	0	41	-1.0	-52.70	341.79	2.78	-49.92
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=N1	REAL300010774201	0	37	-1.0	-56.41	313.59	5.11	-51.30
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCC1	REAL300010774202	0	34	-1.0	-43.00	290.28	5.28	-37.72
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774203	0	34	-1.0	-50.22	297.98	5.01	-45.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCCC1	REAL300010774204	0	39	-1.0	-59.76	334.27	4.96	-54.80
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCCC1	REAL300010774205	0	34	-1.0	-57.67	301.12	6.24	-51.43
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCCC1	REAL300010774206	0	46	-1.0	-57.81	374.60	7.55	-50.26
CC1(C)C2CCC1(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C(=O)C2	REAL300010774207	0	47	-1.0	-69.89	340.58	6.46	-63.43
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774208	0	40	-1.0	-61.98	343.15	1.07	-60.91
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774209	0	40	-1.0	-72.29	326.45	5.54	-66.75
CCOC(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774210	0	45	-1.0	-59.02	341.54	2.79	-56.23
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=C(Cl)N=C2C=C1	REAL300010774211	0	41	-1.0	-59.38	341.89	5.25	-54.13
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCCC1	REAL300010774212	0	42	-1.0	-53.82	349.88	5.66	-48.16
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774213	0	54	-1.0	-58.47	395.65	7.35	-51.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774214	0	40	-1.0	-61.49	336.17	0.98	-60.51
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2)CCCC1	REAL300010774215	0	35	-1.0	-61.78	293.40	5.06	-56.72
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010774216	0	38	-1.0	-58.71	328.44	1.81	-56.90
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(F)C=C1F	REAL300010774217	0	35	-1.0	-52.65	296.85	5.07	-47.58
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774218	0	39	-1.0	-61.42	330.53	5.11	-56.31
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774219	0	44	-1.0	-57.59	354.03	5.68	-51.91
CC1=CN(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2F)N=C1	REAL300010774220	0	42	-1.0	-56.34	346.94	6.13	-50.21
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774221	0	39	-1.0	-57.09	337.84	4.01	-53.08
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774222	0	39	-1.0	-64.01	324.46	-1.18	-65.19
CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774223	0	35	-1.0	-56.77	294.99	4.99	-51.78
CC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774224	0	37	-1.0	-59.09	322.18	6.09	-53.00
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)OC2=CC=C(F)C=C12	REAL300010774225	0	38	-1.0	-47.79	316.12	5.62	-42.17
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)SC(Br)=C2)CCCC1	REAL300010774226	0	29	-1.0	-37.09	288.27	4.01	-33.08
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCCC1	REAL300010774227	0	44	-1.0	-60.21	354.65	6.24	-53.97
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2F)CCCC1	REAL300010774228	0	32	-1.0	-55.25	276.38	4.42	-50.83
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2F)CCCC1	REAL300010774229	0	32	-1.0	-56.23	289.63	4.90	-51.33
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(F)(F)F	REAL300010774230	0	38	-1.0	-60.49	317.77	5.66	-54.83
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCCC1	REAL300010774231	0	38	-1.0	-55.80	336.71	5.20	-50.60
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C12	REAL300010774232	0	40	-1.0	-56.99	329.66	3.78	-53.21
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774233	0	39	-1.0	-61.94	329.15	4.66	-57.28
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2F)CCCC1	REAL300010774234	0	35	-1.0	-62.11	313.46	5.67	-56.44
CC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C12	REAL300010774235	0	36	-1.0	-49.41	303.12	1.12	-48.29
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)CCCC1	REAL300010774236	0	41	-1.0	-60.36	344.89	6.98	-53.38
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)N=C2)CCCC1	REAL300010774237	0	34	-1.0	-60.46	296.06	3.42	-57.04
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CCCC1	REAL300010774238	0	34	-1.0	-40.19	305.02	5.12	-35.07
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774239	0	38	-1.0	-62.82	312.17	5.73	-57.09
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Cl)CCCC1	REAL300010774240	0	35	-1.0	-57.91	300.38	5.45	-52.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCCC1	REAL300010774241	0	44	-1.0	-76.46	359.93	2.64	-73.82
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCCC1	REAL300010774242	0	39	-1.0	-60.41	330.35	4.57	-55.84
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)CCCC1	REAL300010774243	0	32	-1.0	-55.64	296.78	5.42	-50.22
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CN=C21	REAL300010774244	0	40	-1.0	-57.78	332.72	1.75	-56.03
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010774245	0	41	-1.0	-57.67	344.55	5.88	-51.79
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCCC1	REAL300010774246	0	40	-1.0	-58.75	324.27	4.76	-53.99
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCCC1	REAL300010774247	0	35	-1.0	-56.31	317.74	6.24	-50.07
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC(Cl)=CC=C2S1	REAL300010774248	0	38	-1.0	-59.50	326.10	6.81	-52.69
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCCC1	REAL300010774249	0	35	-1.0	-39.99	313.13	5.48	-34.51
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)CCCC1	REAL300010774250	0	38	-1.0	-62.08	313.23	7.02	-55.06
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCCC1	REAL300010774251	0	38	-1.0	-44.04	317.61	6.53	-37.51
CCOC(=O)C1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300010774252	0	46	-1.0	-59.37	376.84	6.50	-52.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774253	0	38	-1.0	-60.33	328.44	1.81	-58.52
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774254	0	45	-1.0	-61.55	369.88	5.80	-55.75
O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCCC1	REAL300010774255	0	43	-1.0	-64.12	360.61	1.13	-62.99
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774256	1	33	-1.0	-56.44	289.62	4.71	-51.73
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1N(C)C	REAL300010774257	0	43	-1.0	-57.13	337.95	4.92	-52.21
CN1C(Cl)=NC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774258	0	32	-1.0	-47.85	274.33	3.51	-44.34
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774259	0	37	-1.0	-61.37	316.47	5.94	-55.43
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N=C1Cl	REAL300010774260	0	32	-1.0	-67.71	285.05	3.20	-64.51
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774261	0	35	-1.0	-42.81	302.05	4.30	-38.51
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774262	0	38	-1.0	-58.90	323.54	6.32	-52.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774263	0	44	-1.0	-53.95	341.85	4.62	-49.33
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC3=C2)CCCC1	REAL300010774264	0	37	-1.0	-57.75	299.28	4.12	-53.63
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774265	0	38	-1.0	-68.48	324.06	1.78	-66.70
CCOC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774266	0	46	-1.0	-57.26	357.89	5.74	-51.52
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774267	0	40	-1.0	-50.15	323.22	4.87	-45.28
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC=C23)CCCC1	REAL300010774268	0	35	-1.0	-76.43	291.24	3.43	-73.00
CCC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774269	0	42	-1.0	-59.80	338.82	4.00	-55.80
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)CCCC1	REAL300010774270	0	35	-1.0	-61.14	309.04	5.54	-55.60
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCC1	REAL300010774271	0	33	-1.0	-57.67	276.02	4.71	-52.96
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774272	0	41	-1.0	-63.10	331.83	6.12	-56.98
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2Cl)CCCC1	REAL300010774273	0	32	-1.0	-56.56	281.93	4.87	-51.69
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774274	0	51	-1.0	-65.07	395.02	7.30	-57.77
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCCC1	REAL300010774275	0	35	-1.0	-58.43	313.92	5.89	-52.54
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774276	0	39	-1.0	-56.64	338.87	3.78	-52.86
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300010774277	0	40	-1.0	-57.88	320.21	4.88	-53.00
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774278	0	36	-1.0	-55.67	320.76	4.65	-51.02
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774279	0	44	-1.0	-61.99	352.35	3.19	-58.80
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CS1	REAL300010774280	0	35	-1.0	-54.54	309.49	4.08	-50.46
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774281	0	41	-1.0	-62.80	344.45	6.66	-56.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCCC1	REAL300010774282	0	43	-1.0	-56.71	368.67	7.72	-48.99
COC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010774283	0	41	-1.0	-45.42	326.55	5.13	-40.29
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774284	0	34	-1.0	-49.79	312.87	5.56	-44.23
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774285	0	36	-1.0	-54.79	314.37	4.96	-49.83
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774286	0	44	-1.0	-52.11	339.42	4.57	-47.54
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774287	0	34	-1.0	-53.95	291.57	4.94	-49.01
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=C1	REAL300010774288	0	46	-1.0	-55.79	373.36	7.88	-47.91
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774289	0	39	-1.0	-45.12	309.94	4.68	-40.44
N#CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774290	0	36	-1.0	-61.44	305.20	5.17	-56.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)CCCC1	REAL300010774291	0	35	-1.0	-55.18	295.09	1.77	-53.41
CN1C(=O)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774292	0	40	-1.0	-58.07	326.64	4.73	-53.34
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)C=C2)CCCC1	REAL300010774293	0	32	-1.0	-54.56	291.13	5.37	-49.19
COC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774294	0	43	-1.0	-57.45	336.03	4.81	-52.64
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774295	0	42	-1.0	-56.91	336.93	5.04	-51.87
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C(=O)OC)S1	REAL300010774296	0	41	-1.0	-48.05	356.94	4.99	-43.06
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774297	0	39	-1.0	-60.96	318.42	3.99	-56.97
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)N=C3SC=CN32)CCCC1	REAL300010774298	0	32	-1.0	-59.22	294.77	4.25	-54.97
O=C([O-])C1(NS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)CCCC1	REAL300010774299	0	41	-1.0	-58.21	341.82	6.15	-52.06
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCCC1	REAL300010774300	0	38	-1.0	-66.34	331.35	5.03	-61.31
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCCC1	REAL300010774301	0	38	-1.0	-55.44	347.02	5.64	-49.80
O=C([O-])C1(NS(=O)(=O)CCOCC(F)(F)F)CCCC1	REAL300010774302	0	35	-1.0	-57.40	299.55	2.25	-55.15
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2O1	REAL300010774303	0	37	-1.0	-56.23	306.97	1.81	-54.42
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774304	0	44	-1.0	-57.11	322.20	7.53	-49.58
CC1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774306	0	32	-1.0	-55.92	292.52	4.82	-51.10
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)CCCC1	REAL300010774307	0	37	-1.0	-53.02	327.86	5.18	-47.84
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774308	0	41	-1.0	-61.02	325.41	6.20	-54.82
CC1=C(Br)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300010774309	1	31	-1.0	-38.57	284.99	1.89	-36.68
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774310	0	37	-1.0	-61.23	308.57	5.60	-55.63
O=C([O-])C1(NS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)CCCC1	REAL300010774311	0	36	-1.0	-56.74	316.16	3.15	-53.59
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300010774312	0	37	-1.0	-63.08	306.56	5.78	-57.30
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300010774313	0	40	-1.0	-64.77	326.11	5.74	-59.03
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCCC1	REAL300010774314	0	40	-1.0	-61.62	334.08	6.24	-55.38
CC1=NN2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=NC2=C1Cl	REAL300010774315	0	37	-1.0	-44.21	322.83	3.56	-40.65
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774316	0	38	-1.0	-52.41	308.25	5.57	-46.84
CCCCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(=O)NC1=O	REAL300010774317	0	50	-1.0	-53.64	400.80	4.86	-48.78
O=C([O-])C1(NS(=O)(=O)CC2=C(F)C=CC=C2F)CCCC1	REAL300010774319	0	35	-1.0	-63.46	297.47	5.08	-58.38
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC4(C(=O)[O-])CCCC4)C=CC1=C23	REAL300010774320	0	43	-1.0	-59.21	349.91	6.22	-52.99
N#CC1=CC=C(F)C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774321	0	36	-1.0	-62.06	313.16	5.41	-56.65
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC([N+](=O)[O-])=C1F	REAL300010774322	0	37	-1.0	-49.61	316.39	5.60	-44.01
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774323	0	38	-1.0	-58.69	313.22	5.88	-52.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)CCCC1	REAL300010774324	0	46	-1.0	-66.30	367.57	5.30	-61.00
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CCCC1	REAL300010774325	0	35	-1.0	-76.56	300.33	4.10	-72.46
CC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774326	0	35	-1.0	-57.30	299.98	5.61	-51.69
CC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774327	0	35	-1.0	-57.56	296.91	5.46	-52.10
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2F)CCCC1	REAL300010774328	0	35	-1.0	-62.45	298.57	5.11	-57.34
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774329	0	43	-1.0	-57.57	363.65	2.08	-55.49
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCC1	REAL300010774330	0	31	-1.0	-53.36	279.66	3.61	-49.75
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C12	REAL300010774331	0	43	-1.0	-44.42	347.10	4.66	-39.76
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)CCCC1	REAL300010774332	0	35	-1.0	-55.84	320.32	6.07	-49.77
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774333	0	40	-1.0	-55.13	345.74	2.05	-53.08
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCC1	REAL300010774334	0	31	-1.0	-52.00	289.47	3.42	-48.58
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N=C1C	REAL300010774335	0	38	-1.0	-59.62	309.40	3.80	-55.82
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774336	0	37	-1.0	-52.90	314.10	3.10	-49.80
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(Cl)S1	REAL300010774337	0	35	-1.0	-50.64	329.49	0.87	-49.77
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCCC1	REAL300010774338	0	40	-1.0	-58.72	317.05	4.90	-53.82
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774339	0	42	-1.0	-56.45	331.79	5.15	-51.30
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774340	0	35	-1.0	-58.76	296.23	4.63	-54.13
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774341	0	39	-1.0	-59.11	318.42	4.00	-55.11
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774342	0	41	-1.0	-71.16	348.77	4.12	-67.04
O=C([O-])C1(NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)CCCC1	REAL300010774343	0	43	-1.0	-64.48	346.28	11.08	-53.40
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010774344	0	35	-1.0	-41.41	291.43	4.84	-36.57
CC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300010774345	0	37	-1.0	-53.69	322.39	5.25	-48.44
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(=O)NCC(F)(F)F	REAL300010774346	0	43	-1.0	-59.71	367.66	3.25	-56.46
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300010774347	0	45	-1.0	-59.12	361.86	6.88	-52.24
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774348	0	36	-1.0	-66.59	322.04	5.75	-60.84
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCCC1	REAL300010774349	0	41	-1.0	-70.84	327.49	7.87	-62.97
CC1(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CCO1	REAL300010774350	0	41	-1.0	-56.22	308.41	2.74	-53.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCCC1	REAL300010774351	0	35	-1.0	-54.72	289.39	2.93	-51.79
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C2C=C1	REAL300010774352	0	40	-1.0	-72.01	314.59	6.03	-65.98
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCCC1	REAL300010774353	0	38	-1.0	-63.10	307.63	5.58	-57.52
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010774354	0	45	-1.0	-57.27	354.37	5.05	-52.22
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCCC1	REAL300010774355	0	44	-1.0	-61.51	334.28	1.04	-60.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCCC1	REAL300010774356	0	38	-1.0	-53.27	331.97	2.35	-50.92
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774357	0	41	-1.0	-54.45	346.39	5.78	-48.67
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774358	0	39	-1.0	-42.76	306.20	3.78	-38.98
CCC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C(C(=O)OC)O1	REAL300010774359	0	41	-1.0	-60.46	338.21	4.53	-55.93
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CCCC1	REAL300010774360	0	49	-1.0	-59.11	371.41	5.46	-53.65
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774361	0	45	-1.0	-60.86	369.59	5.96	-54.90
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Cl)=C1	REAL300010774362	0	33	-1.0	-54.25	297.78	5.29	-48.96
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774363	0	36	-1.0	-41.04	316.23	4.68	-36.36
O=C([O-])C1(NS(=O)(=O)C2=CN3CCCCC3=N2)CCCC1	REAL300010774364	0	39	-1.0	-56.25	306.70	4.80	-51.45
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCCC1	REAL300010774365	0	37	-1.0	-61.82	307.65	4.11	-57.71
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CCCC1	REAL300010774366	0	52	-1.0	-50.50	377.61	5.36	-45.14
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCCC1	REAL300010774367	0	46	-1.0	-40.98	352.71	4.18	-36.80
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CCCC1	REAL300010774368	0	43	-1.0	-41.59	358.22	4.62	-36.97
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010774369	0	35	-1.0	-43.52	285.66	4.43	-39.09
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774370	0	38	-1.0	-53.50	312.39	1.89	-51.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCCC1	REAL300010774371	0	34	-1.0	-50.67	298.86	3.59	-47.08
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)SC=N1	REAL300010774372	1	34	-1.0	-57.18	296.63	2.61	-54.57
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774373	0	38	-1.0	-54.91	324.53	4.86	-50.05
O=C([O-])C1CCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010777001	0	40	-1.0	-64.81	316.23	10.10	-54.71
CC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1Cl	REAL300010777002	0	32	-1.0	-63.65	283.23	5.38	-58.27
CC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300010777003	0	34	-1.0	-42.24	307.89	5.16	-37.08
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010777004	0	40	-1.0	-48.78	354.07	3.01	-45.77
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300010777005	0	42	-1.0	-49.13	347.19	6.68	-42.45
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777006	0	33	-1.0	-60.16	313.89	6.52	-53.64
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010777007	0	38	-1.0	-57.33	316.87	7.89	-49.44
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010777008	0	37	-1.0	-61.47	300.57	5.82	-55.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010777009	0	35	-1.0	-52.48	292.29	5.77	-46.71
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010777010	0	42	-1.0	-69.44	342.59	5.72	-63.72
O=C([O-])C1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010777011	0	41	-1.0	-62.68	328.73	2.01	-60.67
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010777012	0	35	-1.0	-55.58	323.96	3.07	-52.51
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777013	0	38	-1.0	-59.74	338.42	6.64	-53.10
CCC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010777014	0	38	-1.0	-58.84	337.59	4.87	-53.97
O=C([O-])C1CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010777015	0	46	-1.0	-66.04	367.08	6.63	-59.41
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777016	0	42	-1.0	-57.22	365.01	6.20	-51.02
N#CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Cl)=C1	REAL300010777017	0	30	-1.0	-55.13	284.02	5.55	-49.58
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777018	0	33	-1.0	-57.96	308.18	5.16	-52.80
O=C([O-])C1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010777019	0	34	-1.0	-70.55	303.34	5.01	-65.54
O=C([O-])C1CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010777020	0	49	-1.0	-67.23	371.07	6.63	-60.60
O=C([O-])C1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010777021	0	43	-1.0	-64.85	346.39	5.21	-59.64
O=C([O-])C1CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010777022	0	40	-1.0	-66.83	354.23	5.91	-60.92
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300010777023	0	35	-1.0	-56.66	304.38	2.61	-54.05
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010777024	0	31	-1.0	-55.57	290.85	4.31	-51.26
COC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])SC=N1	REAL300010777025	0	31	-1.0	-47.15	283.78	2.34	-44.81
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777026	0	35	-1.0	-60.06	316.56	5.71	-54.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010778001	0	38	-1.0	-49.40	321.96	4.06	-45.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010778002	0	39	-1.0	-55.42	328.93	-1.41	-56.83
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778003	0	40	-1.0	-52.36	330.64	4.40	-47.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010778004	0	46	-1.0	-53.21	383.19	1.50	-51.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010778005	0	39	-1.0	-51.34	327.33	5.17	-46.17
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Cl)=C1	REAL300010778006	0	37	-1.0	-48.10	310.55	4.99	-43.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010778007	0	40	-1.0	-53.86	329.68	0.03	-53.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010778008	0	40	-1.0	-55.42	336.11	1.19	-54.23
CN1C(=O)C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C1=O	REAL300010778009	0	41	-1.0	-49.40	340.99	2.92	-46.48
CC1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778010	0	37	-1.0	-45.81	299.02	4.70	-41.11
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CN=C12	REAL300010778011	0	42	-1.0	-49.58	331.79	4.98	-44.60
CN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778012	0	40	-1.0	-53.10	328.80	3.63	-49.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010778013	0	39	-1.0	-52.02	322.50	5.17	-46.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778014	0	42	-1.0	-54.09	332.37	6.42	-47.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010778015	0	38	-1.0	-46.95	321.42	3.46	-43.49
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778016	0	45	-1.0	-54.34	370.35	1.63	-52.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010778017	0	34	-1.0	-46.33	295.96	4.44	-41.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010778018	0	36	-1.0	-51.03	309.63	5.63	-45.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010778019	0	46	-1.0	-56.58	361.71	3.14	-53.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010778020	0	44	-1.0	-49.26	342.64	7.72	-41.54
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778021	0	43	-1.0	-52.15	352.06	5.24	-46.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010778022	0	34	-1.0	-46.01	291.36	4.19	-41.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010778023	0	34	-1.0	-45.95	295.92	4.30	-41.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010778024	0	36	-1.0	-47.57	303.64	4.33	-43.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010778025	0	40	-1.0	-48.47	320.80	5.96	-42.51
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778026	0	41	-1.0	-53.51	330.61	2.54	-50.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778027	0	39	-1.0	-49.31	320.44	5.27	-44.04
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778028	0	38	-1.0	-47.98	304.14	2.97	-45.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010778029	0	36	-1.0	-55.89	292.92	5.12	-50.77
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778030	0	41	-1.0	-48.13	348.75	4.98	-43.15
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778031	0	41	-1.0	-47.69	326.77	3.89	-43.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1F	REAL300010778032	0	34	-1.0	-47.37	289.07	3.94	-43.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010778033	0	34	-1.0	-45.24	288.38	3.79	-41.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010778034	0	40	-1.0	-49.71	319.12	2.83	-46.88
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300010778035	0	43	-1.0	-46.60	327.11	6.13	-40.47
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778036	0	49	-1.0	-46.59	367.35	6.81	-39.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010778037	0	34	-1.0	-45.53	306.09	4.63	-40.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010778038	0	34	-1.0	-46.36	286.88	3.77	-42.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010778039	0	34	-1.0	-46.24	305.87	4.84	-41.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010778040	0	37	-1.0	-48.15	314.56	4.75	-43.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010778041	0	37	-1.0	-50.37	300.03	5.26	-45.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010778042	0	37	-1.0	-46.08	326.52	5.09	-40.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010778043	0	34	-1.0	-47.37	292.56	4.27	-43.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010778044	0	37	-1.0	-46.62	328.24	5.37	-41.25
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778045	0	39	-1.0	-51.10	317.44	4.16	-46.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010778046	0	34	-1.0	-45.83	296.77	4.22	-41.61
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778047	0	39	-1.0	-54.99	317.12	4.16	-50.83
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=CO1	REAL300010778048	0	43	-1.0	-52.34	351.19	2.71	-49.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010778049	0	33	-1.0	-45.29	303.01	2.80	-42.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010778050	0	37	-1.0	-48.96	306.01	4.35	-44.61
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778051	0	38	-1.0	-48.45	318.62	3.62	-44.83
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C2S1	REAL300010778052	0	43	-1.0	-51.56	354.30	6.59	-44.97
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778053	0	43	-1.0	-51.93	352.52	5.11	-46.82
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N2)C=C1	REAL300010778054	0	44	-1.0	-50.29	356.34	5.41	-44.88
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010778055	0	45	-1.0	-58.12	354.38	4.69	-53.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010778056	0	35	-1.0	-54.19	309.98	4.49	-49.70
CC1=CC=C(C#N)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778057	0	38	-1.0	-49.04	313.04	4.99	-44.05
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)N(C)C	REAL300010778058	0	48	-1.0	-52.58	373.09	3.84	-48.74
CC1CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(Cl)=C2O1	REAL300010778059	0	42	-1.0	-47.30	349.30	4.77	-42.53
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010778060	0	39	-1.0	-47.36	318.71	4.86	-42.50
COC(=O)C1=COC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778061	0	37	-1.0	-50.87	316.15	2.67	-48.20
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778062	0	45	-1.0	-53.02	362.09	4.31	-48.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010778063	0	36	-1.0	-48.18	307.42	3.05	-45.13
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778064	0	44	-1.0	-53.18	352.17	4.27	-48.91
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=C1	REAL300010778065	0	35	-1.0	-50.45	294.49	2.46	-47.99
CC(=O)NC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C	REAL300010778066	0	44	-1.0	-57.38	348.72	3.45	-53.93
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010778067	0	46	-1.0	-48.32	349.84	4.22	-44.10
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1Cl	REAL300010778068	0	36	-1.0	-47.15	306.59	2.94	-44.21
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010778069	0	40	-1.0	-51.61	326.05	2.68	-48.93
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778070	0	43	-1.0	-47.35	347.96	5.35	-42.00
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C#N	REAL300010778071	0	38	-1.0	-54.15	313.64	4.58	-49.57
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778072	0	42	-1.0	-49.29	334.53	2.27	-47.02
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC	REAL300010778073	0	46	-1.0	-47.28	351.22	6.21	-41.07
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778074	0	42	-1.0	-45.96	331.08	6.04	-39.92
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)O1	REAL300010778075	0	40	-1.0	-48.37	334.02	3.28	-45.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010778076	0	35	-1.0	-45.79	298.10	1.52	-44.27
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778077	0	36	-1.0	-52.61	308.49	2.60	-50.01
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1F	REAL300010778078	0	40	-1.0	-45.98	321.78	4.97	-41.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010778079	0	42	-1.0	-55.41	333.76	2.10	-53.31
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300010778080	0	41	-1.0	-52.21	335.45	3.76	-48.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010778081	0	34	-1.0	-44.99	298.70	4.25	-40.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010778082	0	33	-1.0	-45.83	286.16	2.36	-43.47
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778083	0	45	-1.0	-50.16	358.00	5.51	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010778084	0	37	-1.0	-49.17	321.71	5.06	-44.11
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(N)=O	REAL300010778085	0	39	-1.0	-51.68	316.79	-0.15	-51.83
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778086	0	37	-1.0	-45.71	309.36	5.14	-40.57
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300010778087	0	42	-1.0	-51.61	338.73	1.34	-50.27
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300010778088	0	44	-1.0	-46.97	332.07	4.52	-42.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010778089	0	42	-1.0	-51.23	349.27	3.56	-47.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010778090	0	45	-1.0	-50.73	350.15	3.81	-46.92
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778091	0	43	-1.0	-56.40	354.47	5.19	-51.21
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300010778092	0	40	-1.0	-47.74	337.70	3.69	-44.05
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010778093	0	45	-1.0	-49.01	358.83	7.79	-41.22
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778094	0	44	-1.0	-53.26	360.50	4.60	-48.66
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778095	0	47	-1.0	-50.52	381.46	4.75	-45.77
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778096	0	44	-1.0	-47.16	341.12	4.57	-42.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010778097	0	38	-1.0	-54.01	313.75	4.02	-49.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010778098	0	37	-1.0	-50.44	310.03	5.82	-44.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010778099	0	36	-1.0	-51.26	314.30	5.73	-45.53
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778100	0	39	-1.0	-55.59	305.42	5.92	-49.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010778101	0	36	-1.0	-46.53	321.09	5.21	-41.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300010778102	0	31	-1.0	-46.47	284.20	3.17	-43.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010778103	0	38	-1.0	-50.60	315.18	4.17	-46.43
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010778104	0	42	-1.0	-49.45	322.65	4.93	-44.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010778105	0	36	-1.0	-53.40	311.36	3.17	-50.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010778106	0	42	-1.0	-51.96	342.48	3.06	-48.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010778107	0	39	-1.0	-51.64	312.68	4.35	-47.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010778108	0	33	-1.0	-45.75	305.98	3.10	-42.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010778109	0	36	-1.0	-46.98	319.00	4.80	-42.18
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778110	0	43	-1.0	-53.65	357.20	2.47	-51.18
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010778111	0	39	-1.0	-56.56	326.08	4.44	-52.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010778112	0	36	-1.0	-56.61	310.44	5.15	-51.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010778113	0	36	-1.0	-47.04	310.19	4.40	-42.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010778114	0	41	-1.0	-49.44	346.33	4.35	-45.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010778115	0	36	-1.0	-50.73	314.19	5.73	-45.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010778116	0	48	-1.0	-48.74	385.89	6.95	-41.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010778117	0	42	-1.0	-57.64	356.25	0.59	-57.05
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778118	0	42	-1.0	-54.94	338.48	4.92	-50.02
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010778119	0	43	-1.0	-50.55	354.53	4.92	-45.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010778120	0	44	-1.0	-50.97	360.57	5.21	-45.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010778121	0	42	-1.0	-55.03	351.21	0.26	-54.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300010778122	0	37	-1.0	-52.22	306.06	4.61	-47.61
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1F	REAL300010778123	0	37	-1.0	-46.89	309.40	4.58	-42.31
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778124	0	41	-1.0	-48.80	344.92	4.72	-44.08
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778125	0	46	-1.0	-49.55	365.48	5.22	-44.33
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2F)N=C1	REAL300010778126	0	44	-1.0	-52.38	360.02	5.70	-46.68
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778127	0	41	-1.0	-49.32	350.24	2.72	-46.60
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778128	0	41	-1.0	-58.47	339.74	-1.43	-59.90
CC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778129	0	37	-1.0	-47.29	309.33	4.56	-42.73
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010778130	0	39	-1.0	-47.80	334.64	5.60	-42.20
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010778131	0	40	-1.0	-47.01	329.31	5.24	-41.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010778132	0	31	-1.0	-44.14	304.74	4.01	-40.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010778133	0	46	-1.0	-50.07	368.63	5.65	-44.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300010778134	0	34	-1.0	-51.12	288.92	3.87	-47.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010778135	0	34	-1.0	-46.97	304.07	4.44	-42.53
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010778136	0	40	-1.0	-47.94	328.60	5.16	-42.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010778137	0	40	-1.0	-59.42	349.83	5.05	-54.37
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C12	REAL300010778138	0	42	-1.0	-49.58	340.95	3.30	-46.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010778139	0	37	-1.0	-49.60	326.99	5.26	-44.34
CC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C12	REAL300010778140	0	38	-1.0	-50.61	314.35	0.55	-50.06
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010778141	0	43	-1.0	-48.57	357.11	6.50	-42.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010778142	0	36	-1.0	-47.05	320.70	5.16	-41.89
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778143	0	40	-1.0	-50.91	326.44	5.30	-45.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010778144	0	37	-1.0	-49.79	312.71	4.94	-44.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010778145	0	34	-1.0	-46.13	310.43	4.95	-41.18
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C21	REAL300010778146	0	42	-1.0	-49.50	344.84	1.04	-48.46
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300010778147	0	43	-1.0	-50.00	355.87	5.28	-44.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010778148	0	42	-1.0	-52.71	337.44	4.28	-48.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010778149	0	37	-1.0	-46.58	329.84	5.53	-41.05
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010778150	0	40	-1.0	-47.55	340.02	6.40	-41.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010778151	0	37	-1.0	-48.33	329.61	5.64	-42.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010778152	0	40	-1.0	-49.94	325.33	6.60	-43.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010778153	0	40	-1.0	-51.43	333.59	6.57	-44.86
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2O1	REAL300010778154	0	48	-1.0	-52.23	388.06	5.90	-46.33
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010778155	0	40	-1.0	-52.18	339.72	1.22	-50.96
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778156	0	47	-1.0	-54.37	381.96	5.19	-49.18
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010778157	0	45	-1.0	-55.21	375.37	0.85	-54.36
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010778158	1	35	-1.0	-49.04	302.99	4.32	-44.72
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1N(C)C	REAL300010778159	0	45	-1.0	-47.22	350.29	4.33	-42.89
CN1C(Cl)=NC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778160	0	34	-1.0	-46.29	290.18	2.50	-43.79
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778161	0	39	-1.0	-47.34	331.83	5.55	-41.79
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N=C1Cl	REAL300010778162	0	34	-1.0	-50.77	296.24	3.04	-47.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010778163	0	37	-1.0	-60.53	319.12	4.49	-56.04
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778164	0	40	-1.0	-50.33	336.69	5.74	-44.59
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778165	0	46	-1.0	-48.43	350.75	4.01	-44.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010778166	0	39	-1.0	-48.27	311.38	3.52	-44.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010778167	0	40	-1.0	-57.08	335.45	1.16	-55.92
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778168	0	42	-1.0	-53.97	338.46	5.08	-48.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010778169	0	37	-1.0	-59.77	304.18	2.87	-56.90
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778170	0	44	-1.0	-53.35	350.90	3.36	-49.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010778171	0	34	-1.0	-46.45	295.54	4.39	-42.06
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778172	0	53	-1.0	-57.08	407.66	6.66	-50.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010778173	0	37	-1.0	-50.80	326.83	5.42	-45.38
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778174	0	41	-1.0	-52.47	352.75	3.39	-49.08
CC1CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2O1	REAL300010778175	0	42	-1.0	-48.08	331.64	4.28	-43.80
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778176	0	38	-1.0	-46.69	334.98	4.23	-42.46
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778177	0	46	-1.0	-53.93	364.66	2.65	-51.28
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CS1	REAL300010778178	0	37	-1.0	-51.13	321.40	3.38	-47.75
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778179	0	43	-1.0	-50.72	358.69	6.23	-44.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010778180	0	45	-1.0	-48.96	381.57	7.06	-41.90
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300010778181	0	43	-1.0	-50.70	340.74	5.05	-45.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010778182	0	36	-1.0	-46.62	325.08	4.95	-41.67
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778183	0	38	-1.0	-45.68	331.53	4.35	-41.33
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778184	0	46	-1.0	-48.85	353.63	4.11	-44.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010778185	0	36	-1.0	-51.40	304.05	4.42	-46.98
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=C1	REAL300010778186	0	48	-1.0	-48.33	386.46	7.24	-41.09
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778187	0	41	-1.0	-49.68	327.02	4.11	-45.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010778188	0	38	-1.0	-50.84	319.97	4.89	-45.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010778189	0	37	-1.0	-50.80	307.13	1.17	-49.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010778190	0	34	-1.0	-45.77	302.41	4.77	-41.00
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778191	0	44	-1.0	-47.50	348.34	4.52	-42.98
COCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778192	0	41	-1.0	-48.89	330.90	3.48	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010778193	0	34	-1.0	-50.33	308.89	4.14	-46.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010778194	0	40	-1.0	-50.15	343.54	4.80	-45.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010778195	0	40	-1.0	-59.09	360.15	5.50	-53.59
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778196	0	46	-1.0	-45.90	333.72	6.97	-38.93
CC1=CC(Br)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778197	0	34	-1.0	-46.35	306.17	4.01	-42.34
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778198	0	43	-1.0	-51.94	338.07	5.74	-46.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010778199	0	38	-1.0	-48.39	327.92	2.51	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010778200	0	39	-1.0	-57.31	317.06	5.58	-51.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010778201	0	42	-1.0	-55.48	341.24	5.74	-49.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010778202	0	42	-1.0	-55.41	349.37	5.99	-49.42
CC1=NN2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NC2=C1Cl	REAL300010778203	0	39	-1.0	-49.06	338.15	3.71	-45.35
CCCN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778204	0	40	-1.0	-51.96	323.68	4.98	-46.98
CCCCCCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(=O)NC1=O	REAL300010778205	0	52	-1.0	-56.22	413.31	4.29	-51.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010778207	0	37	-1.0	-53.15	310.28	4.60	-48.55
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC1=C23	REAL300010778208	0	45	-1.0	-51.97	362.27	5.71	-46.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010778209	0	38	-1.0	-51.77	325.28	4.92	-46.85
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010778210	0	39	-1.0	-48.48	327.68	5.00	-43.48
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778211	0	40	-1.0	-50.46	326.35	5.30	-45.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010778212	0	48	-1.0	-53.79	380.35	4.86	-48.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010778213	0	37	-1.0	-60.50	313.23	3.52	-56.98
CC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778214	0	37	-1.0	-48.03	314.29	5.20	-42.83
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778215	0	37	-1.0	-48.26	310.91	5.04	-43.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010778216	0	37	-1.0	-49.89	312.11	4.70	-45.19
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778217	0	45	-1.0	-50.29	374.48	1.33	-48.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010778218	0	33	-1.0	-48.49	291.40	3.02	-45.47
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C12	REAL300010778219	0	45	-1.0	-49.66	362.21	4.71	-44.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010778220	0	37	-1.0	-48.15	333.95	5.67	-42.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010778221	0	42	-1.0	-60.52	359.90	1.99	-58.53
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010778222	0	33	-1.0	-44.88	301.90	2.93	-41.95
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N=C1C	REAL300010778223	0	40	-1.0	-52.86	322.23	3.95	-48.91
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778224	0	39	-1.0	-48.50	326.16	2.40	-46.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010778225	0	37	-1.0	-53.20	345.83	0.91	-52.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010778226	0	42	-1.0	-48.36	329.54	4.38	-43.98
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778227	0	44	-1.0	-47.37	344.57	4.52	-42.85
CC1=C(C)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778228	0	37	-1.0	-47.02	307.13	4.00	-43.02
COCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778229	0	41	-1.0	-48.07	330.48	3.40	-44.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010778230	0	43	-1.0	-53.22	364.78	3.62	-49.60
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010778231	0	37	-1.0	-48.77	308.29	4.95	-43.82
CC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300010778232	0	39	-1.0	-48.35	332.24	4.71	-43.64
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010778233	0	45	-1.0	-50.59	379.53	2.64	-47.95
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)CC1	REAL300010778234	0	47	-1.0	-50.21	373.83	6.29	-43.92
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010778235	0	38	-1.0	-52.39	334.02	5.25	-47.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010778236	0	37	-1.0	-48.40	300.68	2.33	-46.07
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010778237	0	42	-1.0	-53.40	328.38	5.64	-47.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010778238	0	40	-1.0	-54.52	324.23	5.16	-49.36
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010778239	0	47	-1.0	-54.96	368.92	5.11	-49.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300010778240	0	46	-1.0	-49.41	349.04	0.76	-48.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010778241	0	40	-1.0	-47.13	343.16	1.65	-45.48
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778242	0	43	-1.0	-48.44	358.43	5.31	-43.13
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778243	0	41	-1.0	-47.18	322.50	3.82	-43.36
CCC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010778244	0	43	-1.0	-47.73	355.31	4.06	-43.67
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778245	0	47	-1.0	-47.95	386.83	5.36	-42.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010778246	0	35	-1.0	-48.41	310.24	4.77	-43.64
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778247	0	38	-1.0	-46.65	332.37	4.15	-42.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010778248	0	41	-1.0	-64.04	322.90	4.29	-59.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010778249	0	39	-1.0	-55.95	323.00	3.87	-52.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010778250	0	54	-1.0	-56.57	394.62	5.42	-51.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010778251	0	48	-1.0	-50.44	369.80	4.06	-46.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010778252	0	45	-1.0	-53.80	374.71	4.58	-49.22
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300010778253	0	37	-1.0	-50.07	302.98	4.52	-45.55
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778254	0	40	-1.0	-46.95	323.59	1.18	-45.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010778255	0	36	-1.0	-47.58	309.15	2.90	-44.68
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=N1	REAL300010778256	1	36	-1.0	-52.79	310.47	2.12	-50.67
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778257	0	40	-1.0	-48.63	336.57	4.38	-44.25
CC1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010779001	0	33	-1.0	-50.60	303.42	5.15	-45.45
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCO1	REAL300010779002	0	33	-1.0	-51.71	321.29	5.16	-46.55
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010779003	0	40	-1.0	-54.02	329.93	4.82	-49.20
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010779004	0	37	-1.0	-51.52	316.94	0.89	-50.63
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010779005	0	38	-1.0	-54.48	328.15	0.82	-53.66
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779006	0	35	-1.0	-48.59	297.76	4.41	-44.18
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779007	0	37	-1.0	-56.24	324.05	2.24	-54.00
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779008	0	35	-1.0	-54.28	296.78	4.37	-49.91
CN1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010779009	0	30	-1.0	-54.81	284.04	2.96	-51.85
CC1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779010	0	33	-1.0	-51.20	294.13	4.16	-47.04
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779011	0	36	-1.0	-48.70	337.82	4.59	-44.11
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=N2)CCO1	REAL300010779012	0	29	-1.0	-48.75	284.27	2.11	-46.64
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779013	0	39	-1.0	-61.75	351.37	1.66	-60.09
CC(=O)NC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010779014	0	37	-1.0	-58.08	328.05	2.44	-55.64
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779015	0	44	-1.0	-58.69	358.82	5.05	-53.64
CS(=O)(=O)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779016	0	35	-1.0	-64.37	314.51	-0.52	-64.89
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1C	REAL300010779017	0	40	-1.0	-49.74	315.39	3.64	-46.10
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2Br)CCO1	REAL300010779018	0	30	-1.0	-50.11	281.43	3.87	-46.24
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779019	0	41	-1.0	-51.54	349.63	2.95	-48.59
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Br)C=C2)CCO1	REAL300010779020	0	33	-1.0	-50.85	311.43	4.78	-46.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)CCO1	REAL300010779021	0	30	-1.0	-49.12	302.46	4.52	-44.60
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779022	0	43	-1.0	-57.64	370.05	3.23	-54.41
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779023	0	44	-1.0	-58.33	371.80	2.32	-56.01
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779024	0	38	-1.0	-53.81	321.39	5.78	-48.03
CC(C)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779025	0	42	-1.0	-49.79	347.50	6.13	-43.66
COCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779026	0	40	-1.0	-50.47	342.91	3.95	-46.52
COCCN(CCOC)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779027	0	42	-1.0	-56.18	341.17	1.63	-54.55
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779028	0	33	-1.0	-50.25	286.74	4.29	-45.96
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779029	0	46	-1.0	-49.99	377.58	5.79	-44.20
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCO1	REAL300010779030	0	44	-1.0	-50.66	360.60	5.68	-44.98
CC(C)COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779031	0	43	-1.0	-50.08	358.62	5.18	-44.90
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779032	0	40	-1.0	-50.13	338.52	4.48	-45.65
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779033	0	34	-1.0	-52.64	311.86	3.30	-49.34
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCO1	REAL300010779034	0	34	-1.0	-51.41	321.62	3.57	-47.84
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779035	0	37	-1.0	-51.08	315.89	3.48	-47.60
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010779036	0	43	-1.0	-50.59	355.67	5.03	-45.56
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300010779037	0	37	-1.0	-49.70	299.70	3.07	-46.63
COCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779038	0	41	-1.0	-52.26	350.64	2.95	-49.31
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2F)CCO1	REAL300010779039	0	33	-1.0	-56.27	294.74	4.23	-52.04
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779040	0	41	-1.0	-62.96	357.09	3.11	-59.85
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CCO1	REAL300010779041	0	45	-1.0	-52.84	370.41	2.92	-49.92
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Br)=C1	REAL300010779042	0	33	-1.0	-49.74	296.49	4.48	-45.26
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779043	0	36	-1.0	-58.49	331.17	1.15	-57.34
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779044	0	36	-1.0	-55.47	323.91	5.55	-49.92
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCO1	REAL300010779045	0	35	-1.0	-54.48	306.51	3.85	-50.63
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779046	0	34	-1.0	-52.36	303.95	3.89	-48.47
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779047	0	34	-1.0	-48.42	290.97	4.15	-44.27
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779048	0	31	-1.0	-53.18	288.45	3.75	-49.43
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779049	0	34	-1.0	-46.21	313.56	4.40	-41.81
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1OC	REAL300010779050	0	40	-1.0	-55.76	348.43	4.14	-51.62
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779051	0	39	-1.0	-51.20	337.14	4.63	-46.57
COC(=O)CCN(C)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779052	0	37	-1.0	-50.21	320.47	2.32	-47.89
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779053	0	40	-1.0	-58.27	338.95	-0.88	-59.15
CN(C1CCOCC1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779054	0	39	-1.0	-49.57	312.62	1.53	-48.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CCO1	REAL300010779055	0	39	-1.0	-62.75	335.02	3.51	-59.24
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010779056	0	39	-1.0	-55.48	332.15	4.50	-50.98
CCN1N=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300010779057	0	39	-1.0	-53.65	322.79	3.30	-50.35
CC(C)N1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779058	0	36	-1.0	-53.51	311.11	2.54	-50.97
CC(C)CN1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779059	0	39	-1.0	-56.75	331.04	4.70	-52.05
CC(C)N1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779060	0	36	-1.0	-58.40	311.75	3.82	-54.58
CC(C)C1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1	REAL300010779061	0	36	-1.0	-57.18	310.30	1.89	-55.29
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779062	0	42	-1.0	-50.59	315.41	6.16	-44.43
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779063	0	38	-1.0	-54.90	332.76	2.85	-52.05
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1Cl	REAL300010779064	0	37	-1.0	-52.54	344.02	3.22	-49.32
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CCO1	REAL300010779065	0	37	-1.0	-53.48	331.29	4.73	-48.75
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010779066	0	36	-1.0	-49.43	329.94	4.08	-45.35
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010779067	0	34	-1.0	-55.01	314.40	3.44	-51.57
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010779068	0	40	-1.0	-53.38	355.15	5.42	-47.96
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(Br)O1	REAL300010779069	0	33	-1.0	-45.55	316.56	2.50	-43.05
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C(Br)S1	REAL300010779070	0	30	-1.0	-44.05	284.26	3.50	-40.55
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1	REAL300010779071	0	34	-1.0	-58.70	309.73	1.80	-56.90
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779072	0	31	-1.0	-47.39	302.54	4.24	-43.15
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300010779073	0	38	-1.0	-49.90	307.87	5.66	-44.24
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779074	0	36	-1.0	-53.33	327.43	4.39	-48.94
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779075	0	39	-1.0	-61.74	330.92	1.30	-60.44
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300010779076	0	34	-1.0	-50.35	309.72	5.07	-45.28
N#CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300010779077	0	31	-1.0	-52.45	302.56	4.24	-48.21
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779078	0	46	-1.0	-52.79	376.89	5.19	-47.60
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CCO1	REAL300010779079	0	41	-1.0	-63.56	354.39	3.41	-60.15
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCO1	REAL300010779080	0	42	-1.0	-54.45	374.68	1.31	-53.14
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779081	0	38	-1.0	-55.04	342.96	-0.39	-55.43
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779082	0	40	-1.0	-57.95	362.12	2.37	-55.58
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300010779083	0	33	-1.0	-52.98	305.85	2.22	-50.76
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779084	0	36	-1.0	-49.46	325.84	2.97	-46.49
CC1=NC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779085	0	32	-1.0	-49.10	291.99	1.82	-47.28
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCO1	REAL300010779086	0	32	-1.0	-62.97	287.63	4.76	-58.21
O=C([O-])C1CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCO1	REAL300010779087	0	33	-1.0	-51.63	322.89	5.21	-46.42
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)N1	REAL300010779088	0	43	-1.0	-55.87	358.92	4.01	-51.86
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC=C2Br)CCO1	REAL300010779089	0	30	-1.0	-51.31	282.49	4.26	-47.05
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)S2)=CS1	REAL300010779090	0	36	-1.0	-51.61	345.78	3.98	-47.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCO1	REAL300010779091	0	50	-1.0	-49.16	400.93	7.06	-42.10
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CCO1	REAL300010779092	0	40	-1.0	-59.64	363.60	3.02	-56.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(I)=C2)CCO1	REAL300010779093	0	30	-1.0	-50.58	294.12	4.54	-46.04
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779094	0	39	-1.0	-56.56	324.94	4.43	-52.13
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CCO1	REAL300010779095	0	32	-1.0	-52.53	297.46	5.56	-46.97
COC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300010779096	0	38	-1.0	-50.04	326.39	2.57	-47.47
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300010779097	0	41	-1.0	-52.77	328.69	2.96	-49.81
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCO1	REAL300010779098	0	32	-1.0	-48.57	310.08	5.78	-42.79
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CCO1	REAL300010779099	0	33	-1.0	-58.17	305.86	4.34	-53.83
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779100	0	31	-1.0	-46.44	280.88	3.45	-42.99
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779101	0	31	-1.0	-46.33	291.22	3.90	-42.43
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010779102	0	33	-1.0	-51.18	305.84	4.63	-46.55
CC1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779103	0	33	-1.0	-49.33	277.24	3.83	-45.50
COC(=O)CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779104	0	36	-1.0	-62.59	325.69	2.23	-60.36
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCO1	REAL300010779105	0	36	-1.0	-50.33	316.39	6.22	-44.11
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCO1	REAL300010779106	0	35	-1.0	-47.06	316.87	5.41	-41.65
CC1=C(Br)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779107	0	30	-1.0	-49.14	299.52	3.74	-45.40
N#CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779108	0	34	-1.0	-55.66	308.59	4.62	-51.04
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(F)=C1F	REAL300010779109	0	36	-1.0	-50.13	331.92	4.16	-45.97
O=C([O-])C1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CCO1	REAL300010779110	0	48	-1.0	-49.06	350.49	4.97	-44.09
CC1=NC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300010779111	0	38	-1.0	-55.80	315.04	4.83	-50.97
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCO1	REAL300010779112	0	41	-1.0	-52.72	343.47	1.99	-50.73
CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Br	REAL300010779113	0	33	-1.0	-50.27	293.19	4.37	-45.90
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779114	0	36	-1.0	-52.71	312.97	4.30	-48.41
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CCO1	REAL300010779115	0	38	-1.0	-51.68	325.82	1.26	-50.42
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010779116	0	36	-1.0	-50.52	321.85	4.18	-46.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779117	0	36	-1.0	-51.06	308.75	4.77	-46.29
COCCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779118	0	37	-1.0	-49.83	326.09	1.07	-48.76
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010779119	0	43	-1.0	-53.60	351.78	5.75	-47.85
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779120	0	40	-1.0	-52.24	332.90	4.88	-47.36
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCO1	REAL300010779121	0	35	-1.0	-55.98	314.67	3.61	-52.37
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCO1	REAL300010779122	0	37	-1.0	-54.50	326.90	4.57	-49.93
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)CCO1	REAL300010779123	0	32	-1.0	-55.03	310.72	4.57	-50.46
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779124	0	31	-1.0	-51.75	280.89	3.48	-48.27
CCOCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779125	0	44	-1.0	-52.17	372.50	3.92	-48.25
CCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779126	0	46	-1.0	-50.04	381.51	6.04	-44.00
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCO1	REAL300010779127	0	32	-1.0	-61.47	292.77	5.21	-56.26
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010779128	0	36	-1.0	-53.00	325.66	4.11	-48.89
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300010779129	0	36	-1.0	-46.99	337.71	4.67	-42.32
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779130	0	40	-1.0	-58.14	344.25	3.95	-54.19
COC(=O)C1=CSC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779131	0	33	-1.0	-49.36	314.38	3.10	-46.26
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779132	0	42	-1.0	-49.43	341.94	4.91	-44.52
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C	REAL300010779133	0	39	-1.0	-49.29	337.17	4.62	-44.67
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779134	0	36	-1.0	-53.82	322.44	4.01	-49.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CCO1	REAL300010779135	0	40	-1.0	-50.56	310.70	5.54	-45.02
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCO1	REAL300010779136	0	36	-1.0	-50.85	317.53	5.16	-45.69
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC(Br)=C2)CCO1	REAL300010779137	0	29	-1.0	-47.74	282.54	2.23	-45.51
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCO1	REAL300010779138	0	34	-1.0	-49.87	322.05	4.93	-44.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)CCO1	REAL300010779139	0	30	-1.0	-49.67	293.33	4.10	-45.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCO1	REAL300010779140	0	37	-1.0	-69.82	330.92	1.31	-68.51
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779141	0	33	-1.0	-49.15	290.02	4.31	-44.84
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010779142	0	34	-1.0	-48.88	316.24	3.41	-45.47
CC1(C)CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300010779143	0	41	-1.0	-51.09	343.76	4.68	-46.41
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779144	0	38	-1.0	-55.05	345.28	0.21	-54.84
CCC(=O)NCC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1OC	REAL300010779145	0	47	-1.0	-58.27	397.23	2.60	-55.67
COC1=CC=C(Br)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779146	0	34	-1.0	-50.11	302.17	3.00	-47.11
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779147	0	39	-1.0	-56.63	348.51	1.86	-54.77
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CCO1	REAL300010779148	0	32	-1.0	-48.70	314.59	3.35	-45.35
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779149	0	35	-1.0	-56.88	313.10	4.12	-52.76
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779150	0	31	-1.0	-49.53	308.43	4.43	-45.10
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010779151	0	37	-1.0	-52.31	338.10	4.34	-47.97
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CCO1	REAL300010779152	0	35	-1.0	-53.02	317.02	-1.09	-54.11
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2S1	REAL300010779153	0	44	-1.0	-51.12	379.33	5.39	-45.73
COC(=O)CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779154	0	39	-1.0	-54.94	331.48	3.94	-51.00
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779155	0	35	-1.0	-52.04	320.07	3.62	-48.42
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3COCC3=C2)CCO1	REAL300010779156	0	35	-1.0	-49.64	302.31	2.74	-46.90
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCO1	REAL300010779157	0	38	-1.0	-60.26	329.31	4.74	-55.52
O=C([O-])C1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1	REAL300010779158	0	36	-1.0	-61.04	305.74	-0.19	-61.23
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779159	0	40	-1.0	-55.32	346.12	4.35	-50.97
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCO1	REAL300010779160	0	35	-1.0	-54.03	313.89	3.65	-50.38
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300010779161	0	40	-1.0	-49.41	321.34	3.98	-45.43
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779162	0	38	-1.0	-56.24	342.96	-0.39	-56.63
CS(=O)(=O)CCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779163	0	32	-1.0	-60.59	293.01	-1.28	-61.87
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779164	0	39	-1.0	-57.01	333.24	4.97	-52.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CCO1	REAL300010779165	0	34	-1.0	-49.07	299.36	3.56	-45.51
CSC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779166	0	34	-1.0	-50.26	305.87	4.49	-45.77
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779167	0	42	-1.0	-50.09	363.76	5.85	-44.24
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300010779168	0	36	-1.0	-54.76	328.34	5.20	-49.56
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779169	0	41	-1.0	-53.65	333.50	4.93	-48.72
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCO1	REAL300010779170	0	29	-1.0	-47.26	284.86	2.30	-44.96
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CCO1	REAL300010779171	0	36	-1.0	-51.03	302.19	3.02	-48.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CCO1	REAL300010779172	0	35	-1.0	-52.41	297.18	3.90	-48.51
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779173	0	33	-1.0	-50.17	291.30	4.40	-45.77
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CCO1	REAL300010779174	0	38	-1.0	-52.02	326.16	2.63	-49.39
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779175	0	46	-1.0	-54.16	380.76	4.41	-49.75
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OCC	REAL300010779176	0	44	-1.0	-52.49	368.77	4.48	-48.01
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010779177	0	36	-1.0	-65.13	310.85	2.23	-62.90
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779178	0	36	-1.0	-53.69	299.89	2.39	-51.30
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779179	0	35	-1.0	-55.50	320.59	-1.60	-57.10
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)CCO1	REAL300010779180	0	41	-1.0	-60.13	343.47	4.59	-55.54
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779181	0	44	-1.0	-55.39	357.92	5.00	-50.39
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300010779182	0	38	-1.0	-45.88	315.67	4.97	-40.91
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779183	0	36	-1.0	-50.63	320.44	4.13	-46.50
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779184	0	41	-1.0	-55.33	346.92	4.56	-50.77
CNC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779185	0	37	-1.0	-53.09	322.07	1.75	-51.34
NC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779186	0	34	-1.0	-53.14	300.14	0.25	-52.89
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2CC1C	REAL300010779187	0	44	-1.0	-60.80	360.92	5.03	-55.77
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=CS1	REAL300010779188	0	33	-1.0	-55.41	302.94	3.56	-51.85
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779189	0	33	-1.0	-49.96	314.20	3.19	-46.77
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010779190	0	34	-1.0	-52.84	322.97	4.62	-48.22
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779191	0	36	-1.0	-59.34	320.47	1.94	-57.40
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)CCO1	REAL300010779192	0	36	-1.0	-53.68	322.88	0.43	-53.25
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CCO1	REAL300010779193	0	36	-1.0	-53.82	317.04	0.69	-53.13
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)CCO1	REAL300010779194	0	36	-1.0	-52.80	323.40	0.97	-51.83
CC1=CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2N=C1	REAL300010779195	0	38	-1.0	-56.64	323.57	4.96	-51.68
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300010779196	0	36	-1.0	-55.07	310.19	4.35	-50.72
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779197	0	34	-1.0	-48.47	306.33	3.82	-44.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCO1	REAL300010779198	0	34	-1.0	-52.45	304.61	3.73	-48.72
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779199	0	35	-1.0	-56.15	320.59	-1.61	-57.76
COC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779200	0	36	-1.0	-58.46	321.13	4.09	-54.37
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CCO1	REAL300010779201	0	42	-1.0	-53.15	375.34	1.29	-51.86
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300010779202	0	35	-1.0	-53.29	318.36	4.83	-48.46
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(F)C=C2)CCO1	REAL300010779203	0	33	-1.0	-51.32	296.55	4.23	-47.09
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Cl)=C1	REAL300010779204	0	33	-1.0	-49.89	294.18	4.41	-45.48
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)CCO1	REAL300010779205	0	36	-1.0	-59.10	321.05	-0.15	-59.25
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779206	0	36	-1.0	-58.17	326.37	0.98	-57.19
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C1=O	REAL300010779207	0	37	-1.0	-54.62	331.93	2.69	-51.93
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779208	0	38	-1.0	-51.88	333.29	5.03	-46.85
CC1=CC(F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779209	0	33	-1.0	-46.87	276.64	3.83	-43.04
O=C([O-])C1CN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CCO1	REAL300010779210	0	39	-1.0	-49.38	323.06	4.75	-44.63
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010779211	0	38	-1.0	-52.68	317.32	4.75	-47.93
CN1C(=O)OC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779212	0	36	-1.0	-57.96	320.42	3.38	-54.58
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CCO1	REAL300010779213	0	35	-1.0	-52.39	313.36	4.97	-47.42
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779214	0	38	-1.0	-56.83	319.15	6.24	-50.59
CCOC(=O)C1CCCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010779215	0	44	-1.0	-50.94	360.06	4.18	-46.76
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCO1	REAL300010779216	0	34	-1.0	-50.72	312.33	3.23	-47.49
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779217	0	41	-1.0	-54.51	361.92	1.44	-53.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C=C2Cl)CCO1	REAL300010779218	0	30	-1.0	-46.94	279.16	3.81	-43.13
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCO1	REAL300010779219	0	32	-1.0	-54.24	297.45	5.55	-48.69
O=C([O-])C1CN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCO1	REAL300010779220	0	42	-1.0	-63.83	351.47	2.80	-61.03
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCO1	REAL300010779221	0	40	-1.0	-52.70	333.07	7.21	-45.49
CC1CC(C)CN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010779222	0	41	-1.0	-49.27	325.87	3.82	-45.45
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779223	0	39	-1.0	-58.26	342.99	5.02	-53.24
CCOC(=O)N1CCC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779224	0	44	-1.0	-54.91	357.31	3.37	-51.54
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)CCO1	REAL300010779225	0	30	-1.0	-48.86	282.37	3.98	-44.88
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=C2)CCO1	REAL300010779226	0	30	-1.0	-48.72	286.93	4.09	-44.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300010779227	0	32	-1.0	-49.49	293.87	4.13	-45.36
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCO1	REAL300010779228	0	36	-1.0	-52.15	311.48	5.74	-46.41
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779229	0	37	-1.0	-55.45	322.03	2.34	-53.11
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779230	0	35	-1.0	-54.82	298.45	4.45	-50.37
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779231	0	34	-1.0	-50.74	295.16	2.76	-47.98
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300010779232	0	32	-1.0	-58.39	280.51	5.04	-53.35
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779233	0	37	-1.0	-51.41	332.77	4.84	-46.57
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779234	0	37	-1.0	-50.40	317.02	3.68	-46.72
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C=C2F)CCO1	REAL300010779235	0	30	-1.0	-51.67	274.12	3.43	-48.24
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC(F)=C2)CCO1	REAL300010779236	0	30	-1.0	-47.34	279.16	3.57	-43.77
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CCO1	REAL300010779237	0	36	-1.0	-50.89	310.82	2.60	-48.29
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300010779238	0	39	-1.0	-50.17	311.02	5.54	-44.63
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779239	0	45	-1.0	-50.72	346.43	6.10	-44.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CCO1	REAL300010779240	0	30	-1.0	-49.31	298.25	4.42	-44.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(F)=C2)CCO1	REAL300010779241	0	30	-1.0	-50.64	279.03	3.56	-47.08
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)CCO1	REAL300010779242	0	30	-1.0	-50.31	289.45	4.25	-46.06
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300010779243	0	33	-1.0	-52.33	305.38	4.45	-47.88
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCO1	REAL300010779244	0	33	-1.0	-51.66	288.65	4.74	-46.92
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CCO1	REAL300010779245	0	33	-1.0	-50.58	318.22	4.86	-45.72
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2)CCO1	REAL300010779246	0	30	-1.0	-51.11	283.07	3.96	-47.15
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)CCO1	REAL300010779247	0	33	-1.0	-48.78	309.20	4.63	-44.15
CC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779248	0	35	-1.0	-51.59	306.14	3.86	-47.73
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)CCO1	REAL300010779249	0	30	-1.0	-49.68	288.92	4.01	-45.67
CC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779250	0	35	-1.0	-61.93	309.11	3.92	-58.01
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=CO1	REAL300010779251	0	39	-1.0	-53.83	342.06	2.54	-51.29
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)CCO1	REAL300010779252	0	29	-1.0	-47.19	293.41	2.53	-44.66
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CCO1	REAL300010779253	0	33	-1.0	-50.49	296.10	3.84	-46.65
COC1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779254	0	34	-1.0	-51.90	299.92	2.93	-48.97
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010779255	0	39	-1.0	-52.49	340.79	5.98	-46.51
COC(=O)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779256	0	39	-1.0	-54.69	343.30	4.89	-49.80
O=C([O-])C1CN(S(=O)(=O)C2CC3=CC=CC=C3C2)CCO1	REAL300010779257	0	37	-1.0	-50.48	307.77	5.17	-45.31
CC1=CC=C(N2C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=N2)C=C1	REAL300010779258	0	40	-1.0	-51.10	348.30	5.25	-45.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779259	0	41	-1.0	-58.83	345.14	4.45	-54.38
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779260	0	31	-1.0	-51.00	290.39	3.85	-47.15
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779261	0	34	-1.0	-52.80	290.96	4.16	-48.64
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300010779262	0	44	-1.0	-58.38	368.52	3.17	-55.21
CC1CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300010779263	0	38	-1.0	-48.53	340.11	4.56	-43.97
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010779264	0	35	-1.0	-49.17	310.53	4.62	-44.55
COC(=O)C1=COC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779265	0	33	-1.0	-51.91	306.19	2.17	-49.74
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779266	0	41	-1.0	-54.09	354.07	4.20	-49.89
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CCO1	REAL300010779267	0	32	-1.0	-50.48	298.32	2.93	-47.55
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779268	0	40	-1.0	-56.96	343.92	4.12	-52.84
COC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=C1	REAL300010779269	0	31	-1.0	-53.19	286.63	2.45	-50.74
CC(=O)NC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C	REAL300010779270	0	40	-1.0	-65.63	340.26	3.18	-62.45
CN1CCCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779271	0	42	-1.0	-50.19	340.82	4.00	-46.19
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN=C1Cl	REAL300010779272	0	32	-1.0	-50.48	296.97	2.67	-47.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)CCO1	REAL300010779273	0	36	-1.0	-54.21	316.92	2.52	-51.69
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779274	0	39	-1.0	-50.83	339.32	5.09	-45.74
CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C#N	REAL300010779275	0	34	-1.0	-52.39	294.14	3.94	-48.45
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(OC)=C1	REAL300010779276	0	38	-1.0	-52.59	325.33	2.05	-50.54
CN1C=NC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779277	0	36	-1.0	-60.22	314.59	4.78	-55.44
CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1CC	REAL300010779278	0	42	-1.0	-50.65	343.48	6.01	-44.64
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779279	0	38	-1.0	-47.60	317.01	5.57	-42.03
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)O1	REAL300010779280	0	36	-1.0	-46.08	314.42	2.66	-43.42
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779281	0	31	-1.0	-45.74	283.31	1.33	-44.41
COC(=O)C1=NSC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779282	0	32	-1.0	-53.99	297.55	2.05	-51.94
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(C)=C1F	REAL300010779283	0	36	-1.0	-48.35	313.37	4.78	-43.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CCO1	REAL300010779284	0	38	-1.0	-56.98	325.14	1.92	-55.06
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1C	REAL300010779285	0	37	-1.0	-52.92	326.71	3.57	-49.35
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)CCO1	REAL300010779286	0	30	-1.0	-47.46	289.45	4.01	-43.45
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC(Cl)=C2)CCO1	REAL300010779287	0	29	-1.0	-47.86	277.98	2.13	-45.73
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779288	0	41	-1.0	-50.76	348.25	5.31	-45.45
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)CCO1	REAL300010779289	0	33	-1.0	-52.13	311.97	4.75	-47.38
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010779290	0	35	-1.0	-54.28	307.50	-0.38	-54.66
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779291	0	33	-1.0	-46.73	286.96	4.27	-42.46
CCOC(=O)C1CCCN1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779292	0	41	-1.0	-53.93	344.82	3.79	-50.14
CNC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1C	REAL300010779293	0	38	-1.0	-53.99	329.49	1.12	-52.87
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300010779294	0	40	-1.0	-49.71	319.03	4.18	-45.53
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)CCO1	REAL300010779295	0	38	-1.0	-54.97	332.55	2.91	-52.06
COC(=O)C1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779296	0	39	-1.0	-53.61	344.95	4.82	-48.79
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)CCO1	REAL300010779297	0	41	-1.0	-53.54	341.82	3.58	-49.96
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779298	0	39	-1.0	-59.77	344.10	4.84	-54.93
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300010779299	0	36	-1.0	-52.99	327.72	3.15	-49.84
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCO1	REAL300010779300	0	41	-1.0	-52.15	350.56	7.56	-44.59
COC(=O)COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779301	0	40	-1.0	-54.69	351.52	4.38	-50.31
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779302	0	43	-1.0	-54.56	372.48	4.53	-50.03
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779303	0	40	-1.0	-48.43	319.28	3.77	-44.66
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)CCO1	REAL300010779304	0	34	-1.0	-52.86	304.67	3.79	-49.07
CCOC(=O)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779305	0	38	-1.0	-57.26	328.20	3.67	-53.59
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCO1	REAL300010779306	0	33	-1.0	-52.41	296.17	5.00	-47.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCO1	REAL300010779307	0	32	-1.0	-52.26	302.02	5.67	-46.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779308	0	35	-1.0	-63.47	291.16	5.11	-58.36
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)CCO1	REAL300010779309	0	32	-1.0	-46.32	303.33	4.49	-41.83
O=C([O-])C1CN(S(=O)(=O)C2=C(Br)C=CS2)CCO1	REAL300010779310	0	27	-1.0	-47.98	273.10	3.14	-44.84
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2COC3=O)CCO1	REAL300010779311	0	34	-1.0	-51.87	296.72	3.55	-48.32
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010779312	0	38	-1.0	-50.32	309.40	4.51	-45.81
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)CCO1	REAL300010779313	0	32	-1.0	-54.97	301.08	2.82	-52.15
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)CCO1	REAL300010779314	0	38	-1.0	-56.24	327.51	2.54	-53.70
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CCO1	REAL300010779315	0	35	-1.0	-53.67	297.23	4.03	-49.64
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCO1	REAL300010779316	0	29	-1.0	-46.62	289.23	2.46	-44.16
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CCO1	REAL300010779317	0	32	-1.0	-52.05	295.94	4.03	-48.02
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)CCO1	REAL300010779318	0	32	-1.0	-50.24	310.73	4.57	-45.67
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779319	0	39	-1.0	-59.15	345.48	1.93	-57.22
CCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010779320	0	35	-1.0	-53.43	314.30	4.11	-49.32
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCO1	REAL300010779321	0	32	-1.0	-65.06	290.37	4.62	-60.44
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CCO1	REAL300010779322	0	32	-1.0	-46.43	300.93	4.16	-42.27
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCO1	REAL300010779323	0	37	-1.0	-51.38	336.59	4.15	-47.23
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCO1	REAL300010779324	0	32	-1.0	-53.91	302.02	5.65	-48.26
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1	REAL300010779325	0	44	-1.0	-52.30	376.90	6.75	-45.55
CC1(C)C2CCC1(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C(=O)C2	REAL300010779326	0	45	-1.0	-57.02	344.90	6.00	-51.02
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779327	0	38	-1.0	-63.68	341.22	0.07	-63.61
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779328	0	38	-1.0	-61.90	329.42	4.71	-57.19
CCOC(=O)N1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779329	0	43	-1.0	-52.85	353.84	2.29	-50.56
COC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010779330	0	39	-1.0	-53.41	341.14	4.53	-48.88
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCO1	REAL300010779331	0	40	-1.0	-55.28	352.31	5.03	-50.25
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779332	0	52	-1.0	-50.17	402.37	6.35	-43.82
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779333	0	38	-1.0	-58.61	339.23	0.18	-58.43
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(F)=C2)CCO1	REAL300010779334	0	33	-1.0	-54.41	295.69	4.25	-50.16
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010779335	0	36	-1.0	-54.24	331.47	0.99	-53.25
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(F)C=C1F	REAL300010779336	0	33	-1.0	-51.12	294.39	4.06	-47.06
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779337	0	37	-1.0	-52.25	329.08	4.47	-47.78
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779338	0	42	-1.0	-51.79	357.02	4.97	-46.82
CC1=CN(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2F)N=C1	REAL300010779339	0	40	-1.0	-51.74	350.94	5.47	-46.27
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779340	0	37	-1.0	-52.57	341.48	3.30	-49.27
CCS(=O)(=O)NCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779341	0	37	-1.0	-60.62	329.38	-1.79	-62.41
CC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779342	0	33	-1.0	-50.16	294.42	4.06	-46.10
CC1=CC(Cl)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779343	0	35	-1.0	-51.35	316.87	4.89	-46.46
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010779344	0	36	-1.0	-50.08	323.11	4.55	-45.53
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCO1	REAL300010779345	0	27	-1.0	-45.83	284.61	3.35	-42.48
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCO1	REAL300010779346	0	42	-1.0	-52.27	360.06	5.43	-46.84
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(F)=C2F)CCO1	REAL300010779347	0	30	-1.0	-50.34	274.60	3.47	-46.87
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC=C2F)CCO1	REAL300010779348	0	30	-1.0	-48.38	288.99	3.99	-44.39
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010779349	0	36	-1.0	-47.47	320.77	4.96	-42.51
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCO1	REAL300010779350	0	36	-1.0	-50.49	337.91	4.10	-46.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C12	REAL300010779351	0	38	-1.0	-53.50	332.65	3.18	-50.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779352	0	37	-1.0	-52.94	335.04	4.03	-48.91
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Br)C=C2F)CCO1	REAL300010779353	0	33	-1.0	-50.99	316.02	4.86	-46.13
CC1=NOC2=NC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C12	REAL300010779354	0	34	-1.0	-49.83	306.11	0.42	-49.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)CCO1	REAL300010779355	0	39	-1.0	-51.47	347.89	6.29	-45.18
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)CCO1	REAL300010779356	0	32	-1.0	-54.97	301.08	2.82	-52.15
O=C([O-])C1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CCO1	REAL300010779357	0	32	-1.0	-49.61	303.29	4.49	-45.12
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779358	0	36	-1.0	-55.86	313.58	5.10	-50.76
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2Cl)CCO1	REAL300010779359	0	33	-1.0	-50.85	303.62	4.61	-46.24
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCO1	REAL300010779360	0	42	-1.0	-66.47	362.26	1.97	-64.50
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300010779361	0	37	-1.0	-51.77	336.14	3.95	-47.82
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)CCO1	REAL300010779362	0	30	-1.0	-50.14	294.01	4.35	-45.79
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CN=C21	REAL300010779363	0	38	-1.0	-48.72	336.01	0.86	-47.86
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010779364	0	39	-1.0	-53.06	347.52	5.04	-48.02
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCO1	REAL300010779365	0	38	-1.0	-55.16	325.17	4.18	-50.98
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCO1	REAL300010779366	0	33	-1.0	-48.30	321.97	5.39	-42.91
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010779367	0	36	-1.0	-46.58	329.32	6.26	-40.32
O=C([O-])C1CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCO1	REAL300010779368	0	33	-1.0	-49.63	313.21	5.10	-44.53
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)CCO1	REAL300010779369	0	36	-1.0	-53.40	313.37	6.30	-47.10
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCO1	REAL300010779370	0	36	-1.0	-54.26	318.74	6.31	-47.95
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300010779371	0	44	-1.0	-54.26	379.82	5.68	-48.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779372	0	36	-1.0	-53.35	331.42	0.98	-52.37
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779373	0	43	-1.0	-57.29	373.76	5.01	-52.28
O=C([O-])C1CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCO1	REAL300010779374	0	41	-1.0	-59.10	365.53	0.52	-58.58
N#CC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779375	0	31	-1.0	-51.02	294.93	4.14	-46.88
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1N(C)C	REAL300010779376	0	41	-1.0	-50.90	340.94	4.09	-46.81
CN1C(Cl)=NC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779377	0	30	-1.0	-49.86	280.23	2.34	-47.52
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779378	0	35	-1.0	-44.53	310.35	4.76	-39.77
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N=C1Cl	REAL300010779379	0	30	-1.0	-53.06	286.68	2.28	-50.78
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779380	0	33	-1.0	-54.83	299.62	3.85	-50.98
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779381	0	36	-1.0	-54.26	324.09	5.50	-48.76
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779382	0	42	-1.0	-52.71	333.36	3.59	-49.12
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCC3=C2)CCO1	REAL300010779383	0	35	-1.0	-51.04	302.26	3.29	-47.75
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779384	0	36	-1.0	-57.03	327.05	0.96	-56.07
CCOC(=O)C1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779385	0	44	-1.0	-51.29	360.88	4.19	-47.10
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779386	0	38	-1.0	-57.02	322.53	5.11	-51.91
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=CC=C23)CCO1	REAL300010779387	0	33	-1.0	-67.54	292.40	2.57	-64.97
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779388	0	40	-1.0	-55.19	342.29	3.18	-52.01
O=C([O-])C1CN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)CCO1	REAL300010779389	0	33	-1.0	-52.77	312.20	4.70	-48.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCO1	REAL300010779390	0	31	-1.0	-56.37	278.04	4.21	-52.16
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779391	0	39	-1.0	-55.20	334.23	5.26	-49.94
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2Cl)CCO1	REAL300010779392	0	30	-1.0	-50.43	279.11	3.80	-46.63
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779393	0	49	-1.0	-61.99	394.06	6.69	-55.30
O=C([O-])C1CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCO1	REAL300010779394	0	33	-1.0	-51.97	317.07	5.03	-46.94
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779395	0	37	-1.0	-52.16	338.74	2.91	-49.25
CC1CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300010779396	0	38	-1.0	-50.90	323.39	4.06	-46.84
COC1=CC(Cl)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779397	0	34	-1.0	-50.02	318.25	3.60	-46.42
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779398	0	42	-1.0	-54.09	342.30	1.87	-52.22
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CS1	REAL300010779399	0	33	-1.0	-50.82	312.81	3.13	-47.69
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779400	0	39	-1.0	-56.04	345.80	6.00	-50.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCO1	REAL300010779401	0	41	-1.0	-52.08	371.08	6.81	-45.27
COC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300010779402	0	39	-1.0	-51.50	321.67	4.32	-47.18
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CCO1	REAL300010779403	0	32	-1.0	-45.85	315.82	4.72	-41.13
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779404	0	34	-1.0	-48.49	314.51	4.17	-44.32
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779405	0	42	-1.0	-49.32	342.34	3.96	-45.36
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300010779406	0	32	-1.0	-57.40	294.56	4.11	-53.29
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=C1	REAL300010779407	0	44	-1.0	-50.90	375.78	6.99	-43.91
COC1=CC=C(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779408	0	37	-1.0	-52.59	311.03	3.96	-48.63
N#CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779409	0	34	-1.0	-53.10	310.99	4.55	-48.55
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)CCO1	REAL300010779410	0	33	-1.0	-50.12	298.05	0.93	-49.19
CN1C(=O)CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779411	0	38	-1.0	-51.74	329.16	3.87	-47.87
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(I)C=C2)CCO1	REAL300010779412	0	30	-1.0	-48.56	293.42	4.56	-44.00
COC(=O)C1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779413	0	41	-1.0	-51.40	339.02	3.26	-48.14
COC1=C(C)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779414	0	40	-1.0	-49.61	337.64	4.24	-45.37
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010779415	0	39	-1.0	-57.78	359.21	4.46	-53.32
COCC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779416	0	37	-1.0	-53.27	321.41	3.16	-50.11
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)N=C3SC=CN32)CCO1	REAL300010779417	0	30	-1.0	-55.89	298.40	3.53	-52.36
O=C([O-])C1CN(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)CCO1	REAL300010779418	0	39	-1.0	-55.29	344.39	5.34	-49.95
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCO1	REAL300010779419	0	36	-1.0	-51.59	331.54	4.03	-47.56
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCO1	REAL300010779420	0	36	-1.0	-50.19	348.25	4.55	-45.64
O=C([O-])C1CN(S(=O)(=O)CCOCC(F)(F)F)CCO1	REAL300010779421	0	33	-1.0	-52.40	304.47	1.65	-50.75
CC1=NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2O1	REAL300010779422	0	35	-1.0	-53.36	309.99	1.11	-52.25
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779423	0	42	-1.0	-48.99	321.03	6.36	-42.63
CC1=CC(Br)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779425	0	30	-1.0	-50.05	299.73	3.88	-46.17
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)CCO1	REAL300010779426	0	35	-1.0	-57.73	325.27	4.17	-53.56
CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779427	0	39	-1.0	-52.45	328.44	5.34	-47.11
CC1=C(Br)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300010779428	0	29	-1.0	-47.37	292.03	1.67	-45.70
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779429	0	35	-1.0	-45.05	302.40	4.42	-40.63
O=C([O-])C1CN(S(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)CCO1	REAL300010779430	0	34	-1.0	-51.47	319.10	2.32	-49.15
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300010779431	0	35	-1.0	-56.33	307.51	5.24	-51.09
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300010779432	0	38	-1.0	-61.98	331.16	5.32	-56.66
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300010779433	0	38	-1.0	-55.94	339.09	5.64	-50.30
CC1=NN2C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=NC2=C1Cl	REAL300010779434	0	35	-1.0	-50.81	327.31	3.40	-47.41
CCCN1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779435	0	36	-1.0	-56.68	313.81	4.20	-52.48
CCCCCCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(=O)NC1=O	REAL300010779436	0	48	-1.0	-50.45	399.84	4.13	-46.32
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCO1	REAL300010779437	0	30	-1.0	-45.70	292.92	3.92	-41.78
O=C([O-])C1CN(S(=O)(=O)CC2=C(F)C=CC=C2F)CCO1	REAL300010779438	0	33	-1.0	-54.41	300.65	4.20	-50.21
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCOC(C(=O)[O-])C4)C=CC1=C23	REAL300010779439	0	41	-1.0	-53.51	344.99	5.07	-48.44
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779440	0	34	-1.0	-54.92	316.29	4.58	-50.34
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010779441	0	35	-1.0	-54.69	319.35	4.75	-49.94
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779442	0	36	-1.0	-54.17	313.76	5.05	-49.12
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)CCO1	REAL300010779443	0	44	-1.0	-53.16	372.20	4.65	-48.51
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CCO1	REAL300010779444	0	33	-1.0	-66.37	297.09	3.13	-63.24
CC1=CC=C(Br)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779445	0	33	-1.0	-51.96	294.38	4.38	-47.58
CC1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779446	0	33	-1.0	-52.50	291.88	4.30	-48.20
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(F)C=C2F)CCO1	REAL300010779447	0	33	-1.0	-51.20	301.14	4.30	-46.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779448	0	41	-1.0	-54.07	366.76	1.11	-52.96
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCO1	REAL300010779449	0	29	-1.0	-52.10	283.17	2.84	-49.26
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C12	REAL300010779450	0	41	-1.0	-51.56	347.96	4.46	-47.10
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)CCO1	REAL300010779451	0	33	-1.0	-49.93	322.95	5.27	-44.66
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779452	0	38	-1.0	-59.71	333.51	1.87	-57.84
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCO1	REAL300010779453	0	29	-1.0	-46.53	285.17	2.36	-44.17
CCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N=C1C	REAL300010779454	0	36	-1.0	-54.92	312.07	3.24	-51.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779455	0	35	-1.0	-49.63	317.07	2.28	-47.35
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(Cl)S1	REAL300010779456	0	33	-1.0	-54.13	325.77	0.21	-53.92
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CCO1	REAL300010779457	0	38	-1.0	-50.25	320.04	4.07	-46.18
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779458	0	40	-1.0	-51.05	334.94	4.32	-46.73
CC1=C(C)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779459	0	33	-1.0	-50.98	298.52	3.79	-47.19
COCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779460	0	37	-1.0	-50.73	321.41	3.17	-47.56
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779461	0	39	-1.0	-56.63	351.81	3.18	-53.45
O=C([O-])C1CN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)CCO1	REAL300010779462	0	41	-1.0	-54.10	323.28	9.08	-45.02
CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010779463	0	33	-1.0	-50.39	291.43	4.30	-46.09
CC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010779464	0	35	-1.0	-49.15	323.11	4.46	-44.69
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010779465	0	41	-1.0	-52.54	370.29	2.41	-50.13
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300010779466	0	43	-1.0	-52.85	363.98	6.09	-46.76
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779467	0	34	-1.0	-52.10	324.61	4.94	-47.16
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCO1	REAL300010779468	0	39	-1.0	-59.82	327.72	7.15	-52.67
CC1(C)CN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CCO1	REAL300010779469	0	39	-1.0	-48.36	312.53	1.66	-46.70
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCOC3=C2)CCO1	REAL300010779470	0	33	-1.0	-49.10	292.35	2.08	-47.02
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010779471	0	38	-1.0	-59.83	315.14	4.96	-54.87
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCO1	REAL300010779472	0	36	-1.0	-56.10	312.95	4.73	-51.37
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010779473	0	43	-1.0	-62.80	354.48	4.82	-57.98
O=C([O-])C1CN(S(=O)(=O)CCCN2CCOCC2)CCO1	REAL300010779474	0	42	-1.0	-51.93	340.06	0.41	-51.52
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCO1	REAL300010779475	0	36	-1.0	-49.51	334.93	1.53	-47.98
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779476	0	39	-1.0	-48.77	349.36	5.07	-43.70
COCC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779477	0	37	-1.0	-49.08	302.92	3.03	-46.05
CCC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010779478	0	39	-1.0	-52.72	337.07	3.43	-49.29
O=C([O-])C1CN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CCO1	REAL300010779479	0	47	-1.0	-59.88	376.56	5.13	-54.75
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779480	0	43	-1.0	-49.89	369.76	5.13	-44.76
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Cl)=C1	REAL300010779481	0	31	-1.0	-48.38	293.49	4.13	-44.25
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779482	0	34	-1.0	-49.87	316.58	3.96	-45.91
O=C([O-])C1CN(S(=O)(=O)C2=CN3CCCCC3=N2)CCO1	REAL300010779483	0	37	-1.0	-55.11	312.28	3.48	-51.63
O=C([O-])C1CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CCO1	REAL300010779484	0	35	-1.0	-55.07	312.77	3.54	-51.53
O=C([O-])C1CN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CCO1	REAL300010779485	0	50	-1.0	-55.50	382.60	5.07	-50.43
O=C([O-])C1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCO1	REAL300010779486	0	44	-1.0	-55.21	358.11	3.61	-51.60
O=C([O-])C1CN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CCO1	REAL300010779487	0	41	-1.0	-50.68	365.01	4.23	-46.45
CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010779488	0	33	-1.0	-55.19	288.02	3.99	-51.20
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779489	0	36	-1.0	-50.37	315.36	1.06	-49.31
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCO1	REAL300010779490	0	32	-1.0	-50.82	301.82	2.76	-48.06
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=N1	REAL300010779491	0	32	-1.0	-54.53	304.35	1.67	-52.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779492	0	36	-1.0	-49.12	327.50	4.15	-44.97
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780001	0	35	-1.0	-58.94	307.01	3.05	-55.89
O=C([O-])C1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCO1	REAL300010780002	0	39	-1.0	-49.44	309.85	3.44	-46.00
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)CCO1	REAL300010780003	0	34	-1.0	-51.59	318.18	3.93	-47.66
O=C([O-])C1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)CCO1	REAL300010780004	0	31	-1.0	-49.96	281.20	2.22	-47.74
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)CCO1	REAL300010780005	0	33	-1.0	-60.98	309.14	3.08	-57.90
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CCO1	REAL300010780006	0	33	-1.0	-49.83	305.18	4.88	-44.95
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780007	0	37	-1.0	-48.82	317.24	3.20	-45.62
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1F	REAL300010780008	0	39	-1.0	-50.76	314.99	5.56	-45.20
COC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1OC	REAL300010780009	0	38	-1.0	-55.25	320.64	3.26	-51.99
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)CCO1	REAL300010780010	0	39	-1.0	-55.62	333.87	0.69	-54.93
N#CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010780011	0	31	-1.0	-52.22	306.84	4.34	-47.88
O=C([O-])C1CN(S(=O)(=O)C2=COC3=CC=CC=C32)CCO1	REAL300010780012	0	33	-1.0	-51.37	292.50	3.62	-47.75
COC1=CC=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1OC	REAL300010780013	0	38	-1.0	-53.44	325.77	3.75	-49.69
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780014	0	33	-1.0	-46.73	324.97	2.82	-43.91
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010780015	0	43	-1.0	-53.75	343.93	3.93	-49.82
N#CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010780016	0	34	-1.0	-56.67	316.51	5.39	-51.28
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300010780017	0	37	-1.0	-51.96	304.67	2.77	-49.19
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCO1	REAL300010780019	0	34	-1.0	-53.39	304.91	3.04	-50.35
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)CCO1	REAL300010780020	0	34	-1.0	-58.48	317.55	3.90	-54.58
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCO1	REAL300010780021	0	33	-1.0	-52.45	295.76	2.62	-49.83
CN1N=NC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C21	REAL300010780022	0	35	-1.0	-56.20	308.76	1.93	-54.27
O=C([O-])C1CN(S(=O)(=O)C2=COC3=CC=CC=C32)CCO1	REAL300010780023	0	33	-1.0	-51.37	292.50	3.62	-47.75
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010780025	0	36	-1.0	-46.45	309.34	4.94	-41.51
CC1(C)CCCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010780026	0	41	-1.0	-49.82	320.12	3.84	-45.98
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCO1	REAL300010780027	0	36	-1.0	-48.85	333.94	4.59	-44.26
O=C([O-])C1CN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)CCO1	REAL300010780028	0	33	-1.0	-51.20	294.23	3.61	-47.59
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010780029	0	40	-1.0	-51.10	328.96	3.45	-47.65
O=C([O-])C1CN(S(=O)(=O)NCCC2=CC=CC=C2)CCO1	REAL300010780030	0	38	-1.0	-50.73	326.12	3.45	-47.28
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780031	0	48	-1.0	-51.43	375.20	7.35	-44.08
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCO1	REAL300010780032	0	36	-1.0	-52.21	337.55	5.31	-46.90
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)SC=C2)CCO1	REAL300010780033	0	27	-1.0	-49.63	262.92	2.62	-47.01
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CCO1	REAL300010780034	0	40	-1.0	-49.45	340.30	4.10	-45.35
O=C([O-])C1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)CCO1	REAL300010780035	0	34	-1.0	-50.79	301.43	4.56	-46.23
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCO1	REAL300010780036	0	41	-1.0	-50.70	360.95	6.30	-44.40
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780037	0	43	-1.0	-56.91	355.47	1.86	-55.05
COC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010780038	0	39	-1.0	-63.31	331.77	4.65	-58.66
CCCC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780039	0	39	-1.0	-51.12	330.73	5.65	-45.47
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780040	0	36	-1.0	-47.98	321.59	1.84	-46.14
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780041	0	31	-1.0	-48.56	280.83	3.44	-45.12
CN1N=C2CCCC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780042	0	37	-1.0	-49.98	308.93	2.87	-47.11
O=C([O-])C1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300010780043	0	34	-1.0	-48.41	322.77	4.78	-43.63
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C=C1	REAL300010780044	0	42	-1.0	-52.20	366.21	6.37	-45.83
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780045	0	39	-1.0	-49.63	313.17	3.12	-46.51
CC(C)(C)N1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010780046	0	39	-1.0	-49.73	330.84	3.17	-46.56
O=C([O-])C1CN(S(=O)(=O)C2=CNN=C2C2CCC2)CCO1	REAL300010780047	0	37	-1.0	-50.00	305.65	2.13	-47.87
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010780048	0	35	-1.0	-50.68	317.40	3.27	-47.41
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCO1	REAL300010780049	0	33	-1.0	-46.94	311.77	4.50	-42.44
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(CF)C=C2)CCO1	REAL300010780050	0	33	-1.0	-50.69	294.33	4.26	-46.43
O=C([O-])C1CN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)CCO1	REAL300010780051	0	30	-1.0	-49.27	285.76	3.65	-45.62
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)CCO1	REAL300010780052	0	30	-1.0	-47.12	297.26	3.56	-43.56
O=C([O-])C1CN(S(=O)(=O)N2CCC(F)(F)CC2)CCO1	REAL300010780053	0	35	-1.0	-49.22	295.59	2.74	-46.48
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780054	0	40	-1.0	-54.51	348.53	2.47	-52.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)O2)CCO1	REAL300010780055	0	27	-1.0	-51.13	270.69	2.16	-48.97
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)CCO1	REAL300010780056	0	33	-1.0	-49.43	318.23	4.86	-44.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C(F)F)CCO1	REAL300010780057	0	33	-1.0	-56.13	283.78	4.65	-51.48
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780058	0	41	-1.0	-61.73	350.92	5.47	-56.26
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCO1	REAL300010780059	0	41	-1.0	-49.88	334.77	6.43	-43.45
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010780060	0	40	-1.0	-51.59	346.54	5.11	-46.48
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCO1	REAL300010780061	0	36	-1.0	-49.92	328.06	4.50	-45.42
O=C([O-])C1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)CCO1	REAL300010780062	0	36	-1.0	-50.26	308.04	3.89	-46.37
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780063	0	35	-1.0	-46.35	320.20	3.97	-42.38
O=C([O-])C1CN(S(=O)(=O)CC2=NOC3=C2COCC3)CCO1	REAL300010780064	0	37	-1.0	-54.09	318.73	1.83	-52.26
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)CCO1	REAL300010780065	0	30	-1.0	-50.14	294.01	4.35	-45.79
O=C([O-])C1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CCO1	REAL300010780066	0	30	-1.0	-52.32	288.66	3.70	-48.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CCO1	REAL300010780067	0	37	-1.0	-51.12	315.55	5.55	-45.57
COC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=CS1	REAL300010780068	0	31	-1.0	-49.66	285.77	1.95	-47.71
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)CCO1	REAL300010780069	0	33	-1.0	-49.97	295.44	4.73	-45.24
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780070	0	36	-1.0	-48.89	331.28	3.75	-45.14
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)CCO1	REAL300010780071	0	37	-1.0	-53.69	316.94	5.47	-48.22
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)CCO1	REAL300010780072	0	40	-1.0	-49.30	330.41	4.06	-45.24
CCC(C)N1N=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780073	0	39	-1.0	-48.02	324.10	3.26	-44.76
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780074	0	39	-1.0	-59.51	336.61	1.03	-58.48
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780075	0	33	-1.0	-55.91	320.28	-0.05	-55.96
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780076	0	39	-1.0	-59.51	336.61	1.03	-58.48
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CS2)CCO1	REAL300010780077	0	31	-1.0	-52.12	289.50	3.79	-48.33
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCO1	REAL300010780078	0	33	-1.0	-51.66	288.65	4.74	-46.92
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780079	0	42	-1.0	-59.45	352.79	7.32	-52.13
CN(C1CCCCCC1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780080	0	44	-1.0	-50.38	334.83	4.36	-46.02
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCO1	REAL300010780081	0	30	-1.0	-51.97	290.16	2.65	-49.32
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780082	0	34	-1.0	-50.19	302.26	3.41	-46.78
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010780083	0	44	-1.0	-51.65	361.42	2.51	-49.14
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780084	0	36	-1.0	-53.78	319.54	4.97	-48.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCO1	REAL300010780085	0	34	-1.0	-52.72	305.60	3.02	-49.70
O=C([O-])C1CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCO1	REAL300010780086	0	45	-1.0	-50.82	361.64	6.09	-44.73
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010780087	0	31	-1.0	-49.95	290.11	1.88	-48.07
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010780088	0	41	-1.0	-54.99	328.41	5.44	-49.55
O=C([O-])C1CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CCO1	REAL300010780089	0	38	-1.0	-51.12	321.66	3.54	-47.58
O=C([O-])C1CN(S(=O)(=O)C2=CN(CCF)N=C2)CCO1	REAL300010780090	0	33	-1.0	-49.45	299.01	2.15	-47.30
CCOCC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780091	0	40	-1.0	-53.72	343.26	4.13	-49.59
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780092	0	39	-1.0	-54.16	343.28	5.38	-48.78
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780093	0	40	-1.0	-51.30	344.20	4.70	-46.60
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCO1	REAL300010780094	0	43	-1.0	-52.53	352.71	4.40	-48.13
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCO1	REAL300010780095	0	41	-1.0	-50.92	354.31	6.32	-44.60
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2CF)CCO1	REAL300010780096	0	33	-1.0	-51.60	282.95	4.35	-47.25
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780097	0	42	-1.0	-56.94	350.80	6.26	-50.68
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300010780098	0	36	-1.0	-48.37	324.04	5.18	-43.19
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCO1	REAL300010780099	0	35	-1.0	-49.86	323.95	4.82	-45.04
O=C([O-])C1CN(S(=O)(=O)CC2=C(Cl)SC=N2)CCO1	REAL300010780100	0	29	-1.0	-53.36	289.63	1.72	-51.64
N#CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010780101	0	31	-1.0	-52.13	288.65	3.77	-48.36
O=C([O-])C1CN(S(=O)(=O)CC2=CC3=NON=C3C=C2)CCO1	REAL300010780102	0	34	-1.0	-51.81	305.22	2.91	-48.90
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2O)CCO1	REAL300010780103	1	31	-1.0	-47.44	272.11	1.61	-45.83
O=C([O-])C1CN(S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCO1	REAL300010780104	0	36	-1.0	-48.69	341.83	4.68	-44.01
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(F)C(Cl)=C2)CCO1	REAL300010780105	0	29	-1.0	-47.36	283.95	2.08	-45.28
N#CC1(OCCS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCOCC1	REAL300010780106	0	42	-1.0	-51.99	350.46	1.16	-50.83
CCN1N=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010780107	0	33	-1.0	-48.96	301.55	2.12	-46.84
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC=C2Br)CCO1	REAL300010780108	0	34	-1.0	-50.87	315.79	5.16	-45.71
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCOC(C(=O)[O-])C1)=C2	REAL300010780109	0	36	-1.0	-50.36	351.41	4.65	-45.71
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCO1	REAL300010780110	0	30	-1.0	-49.45	295.44	4.36	-45.09
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCO1	REAL300010780111	0	32	-1.0	-55.47	302.56	2.50	-52.97
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)CCO1	REAL300010780112	0	35	-1.0	-55.12	318.56	4.48	-50.64
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)CCO1	REAL300010780113	0	35	-1.0	-55.03	314.13	4.46	-50.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCO1	REAL300010780114	0	32	-1.0	-55.47	302.56	2.50	-52.97
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010780115	0	39	-1.0	-53.72	319.29	5.99	-47.73
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780116	0	34	-1.0	-50.37	318.13	4.43	-45.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCCF)C=C2)CCO1	REAL300010780117	0	37	-1.0	-52.29	323.60	3.83	-48.46
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010780118	0	44	-1.0	-52.19	370.44	4.92	-47.27
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCO1	REAL300010780119	0	30	-1.0	-46.15	289.75	3.91	-42.24
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300010780120	0	36	-1.0	-62.25	329.19	-0.38	-62.63
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010780121	0	40	-1.0	-55.27	342.40	4.62	-50.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)CCO1	REAL300010780122	0	36	-1.0	-51.47	338.54	0.81	-50.66
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CCO1	REAL300010780123	0	34	-1.0	-51.26	303.95	4.72	-46.54
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)CCO1	REAL300010780124	0	34	-1.0	-50.23	318.83	5.27	-44.96
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)CCO1	REAL300010780125	0	34	-1.0	-50.73	318.82	5.28	-45.45
O=C([O-])C1CN(S(=O)(=O)CCC2NC(=O)NC2=O)CCO1	REAL300010780126	0	35	-1.0	-57.38	310.22	-2.67	-60.05
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3C=CC=CN23)CCO1	REAL300010780127	0	33	-1.0	-51.69	291.82	3.83	-47.86
O=C([O-])C1CN(S(=O)(=O)C2CCC(F)(F)CC2)CCO1	REAL300010780128	0	36	-1.0	-53.95	298.96	3.90	-50.05
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CCO1	REAL300010780129	0	32	-1.0	-50.35	297.28	2.84	-47.51
O=C([O-])C1CN(S(=O)(=O)CCOC2CCOC2)CCO1	REAL300010780130	0	38	-1.0	-51.87	320.33	0.65	-51.22
CC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010780131	0	39	-1.0	-56.07	343.01	2.46	-53.61
O=C([O-])C1CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCO1	REAL300010780132	0	47	-1.0	-50.56	343.36	6.33	-44.23
CC1(C)COC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010780133	0	40	-1.0	-51.80	326.29	2.87	-48.93
O=C([O-])C1CN(S(=O)(=O)CC2CS(=O)(=O)C2)CCO1	REAL300010780134	0	33	-1.0	-59.69	296.61	-0.85	-60.54
CC(C)(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C(C)(F)F	REAL300010780135	0	38	-1.0	-51.23	304.52	3.92	-47.31
CS(=O)(=O)CCCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780136	0	38	-1.0	-62.38	336.01	0.27	-62.11
CC1(C)CCC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)OC1	REAL300010780137	0	43	-1.0	-53.25	341.09	3.57	-49.68
CCOC(=O)C1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C2C=CC=CN21	REAL300010780138	0	42	-1.0	-61.82	368.90	5.13	-56.69
O=C([O-])C1CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCO1	REAL300010780139	0	40	-1.0	-51.37	336.14	5.77	-45.60
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CCO1	REAL300010780140	0	34	-1.0	-59.70	313.59	2.51	-57.19
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2C=C1	REAL300010780141	0	39	-1.0	-57.65	349.23	5.30	-52.35
O=C([O-])C1CN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCO1	REAL300010780142	0	40	-1.0	-53.23	347.55	6.32	-46.91
O=C([O-])C1CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCO1	REAL300010780143	0	39	-1.0	-56.49	318.54	0.86	-55.63
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780144	0	39	-1.0	-56.64	339.30	4.32	-52.32
O=C([O-])C1CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCO1	REAL300010780145	0	43	-1.0	-50.52	334.13	5.45	-45.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)CCO1	REAL300010780146	0	34	-1.0	-49.64	309.35	4.78	-44.86
COC(=O)C1CCCCN1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780147	0	41	-1.0	-50.04	321.35	3.54	-46.50
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010780148	0	52	-1.0	-51.06	396.03	7.62	-43.44
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010780149	0	33	-1.0	-49.52	311.79	4.25	-45.27
COC1=CC=C(C=C(C)S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780150	0	41	-1.0	-51.02	343.15	4.52	-46.50
CC1=CC=CC(CNS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780151	0	38	-1.0	-50.12	326.12	3.35	-46.77
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=NN1	REAL300010780152	0	36	-1.0	-50.68	326.70	1.24	-49.44
COC1=CSC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1OC	REAL300010780153	0	35	-1.0	-51.99	311.05	1.76	-50.23
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780154	0	33	-1.0	-46.70	320.90	2.72	-43.98
O=C([O-])C1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCO1	REAL300010780155	0	42	-1.0	-49.52	326.00	3.91	-45.61
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780156	0	41	-1.0	-49.98	344.56	5.29	-44.69
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780157	0	34	-1.0	-50.28	316.96	4.66	-45.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCO1	REAL300010780158	0	34	-1.0	-54.91	314.12	4.27	-50.64
COC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010780159	0	34	-1.0	-51.89	303.62	3.03	-48.86
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCO1	REAL300010780160	0	34	-1.0	-54.37	311.80	3.08	-51.29
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780161	0	36	-1.0	-50.83	308.02	3.35	-47.48
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)CCO1	REAL300010780162	0	33	-1.0	-53.40	298.83	4.90	-48.50
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCO1	REAL300010780163	0	39	-1.0	-50.87	345.20	3.93	-46.94
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCO1	REAL300010780164	0	27	-1.0	-45.90	291.39	3.52	-42.38
CN1N=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010780165	0	30	-1.0	-49.17	279.54	1.26	-47.91
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780166	0	43	-1.0	-54.41	355.29	5.74	-48.67
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010780167	0	47	-1.0	-51.63	383.85	5.37	-46.26
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)CCO1	REAL300010780168	0	33	-1.0	-53.12	322.58	4.85	-48.27
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)CCO1	REAL300010780169	0	35	-1.0	-51.58	318.35	4.14	-47.44
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780170	0	38	-1.0	-55.21	322.93	2.86	-52.35
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCO1	REAL300010780171	0	41	-1.0	-49.90	355.03	6.29	-43.61
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780172	0	36	-1.0	-57.31	300.66	5.15	-52.16
COC(=O)C1=CNN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780173	0	33	-1.0	-59.61	298.61	1.01	-58.60
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)CCO1	REAL300010780174	0	35	-1.0	-56.95	321.18	2.01	-54.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCO1	REAL300010780175	0	31	-1.0	-53.53	305.38	2.33	-51.20
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780176	0	32	-1.0	-45.00	282.07	2.37	-42.63
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780177	0	41	-1.0	-54.71	350.01	5.06	-49.65
CCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300010780178	0	40	-1.0	-51.85	325.97	3.63	-48.22
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010780179	0	34	-1.0	-50.67	295.96	2.44	-48.23
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCO1	REAL300010780180	0	36	-1.0	-50.04	328.17	6.24	-43.80
CC(=O)OC1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010780181	0	38	-1.0	-50.52	326.34	2.61	-47.91
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCO1	REAL300010780182	0	40	-1.0	-50.10	357.23	7.36	-42.74
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C(Cl)S1	REAL300010780183	0	33	-1.0	-52.55	319.66	4.18	-48.37
CCC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010780184	0	36	-1.0	-48.29	325.38	5.31	-42.98
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780185	0	43	-1.0	-48.82	351.89	4.59	-44.23
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CS2)CCO1	REAL300010780186	0	27	-1.0	-47.14	275.14	2.94	-44.20
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780187	0	44	-1.0	-53.70	366.19	3.80	-49.90
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCO1	REAL300010780188	0	36	-1.0	-50.94	318.39	6.00	-44.94
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780189	0	38	-1.0	-49.24	313.07	1.00	-48.24
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)CCO1	REAL300010780190	0	37	-1.0	-51.95	296.98	4.99	-46.96
CC1(C)CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010780191	0	41	-1.0	-49.37	318.55	3.52	-45.85
O=C([O-])C1CN(S(=O)(=O)N2CCC(CO)CC2)CCO1	REAL300010780192	0	39	-1.0	-51.22	313.07	-0.20	-51.42
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780193	0	44	-1.0	-59.86	377.96	3.82	-56.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCO1	REAL300010780194	0	45	-1.0	-50.79	367.52	3.85	-46.94
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780195	0	33	-1.0	-48.08	304.19	1.16	-46.92
COC1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010780196	0	36	-1.0	-50.55	313.64	0.86	-49.69
CC(C)CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010780197	0	39	-1.0	-53.78	329.28	3.61	-50.17
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780198	0	39	-1.0	-52.01	322.59	2.94	-49.07
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCO1	REAL300010780199	0	29	-1.0	-49.62	294.00	1.39	-48.23
O=C([O-])C1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)CCO1	REAL300010780200	0	40	-1.0	-51.77	322.37	0.75	-51.02
COCC1=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=NO1	REAL300010780201	0	36	-1.0	-58.77	320.01	1.36	-57.41
N#CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=C1	REAL300010780202	0	28	-1.0	-49.32	275.80	2.80	-46.52
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CCO1	REAL300010780203	0	33	-1.0	-60.37	313.71	3.18	-57.19
O=C([O-])C1CN(S(=O)(=O)C2=NC=C(Br)C=N2)CCO1	REAL300010780204	0	28	-1.0	-49.86	279.32	1.24	-48.62
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010780205	0	34	-1.0	-60.83	314.45	1.47	-59.36
CC1=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)S1	REAL300010780206	0	36	-1.0	-48.91	302.42	4.66	-44.25
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC=C2Cl)CCO1	REAL300010780207	0	29	-1.0	-53.57	275.21	2.12	-51.45
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780208	0	34	-1.0	-51.89	310.90	3.92	-47.97
COC1=CC=NC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780209	0	33	-1.0	-49.52	285.37	1.42	-48.10
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)CCO1	REAL300010780210	0	32	-1.0	-50.29	302.00	2.49	-47.80
COC1=NC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010780211	0	33	-1.0	-48.81	300.06	0.50	-48.31
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010780212	0	39	-1.0	-54.86	348.67	2.31	-52.55
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780213	0	37	-1.0	-57.85	322.52	1.33	-56.52
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)CCO1	REAL300010780214	0	34	-1.0	-49.20	328.50	5.59	-43.61
O=C([O-])C1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CCO1	REAL300010780215	0	35	-1.0	-51.84	316.84	5.39	-46.45
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC(Br)=C2F)CCO1	REAL300010780216	0	29	-1.0	-53.03	287.19	2.28	-50.75
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N=C1	REAL300010780217	0	41	-1.0	-49.21	338.71	3.82	-45.39
CC(C)N1N=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780218	0	36	-1.0	-48.68	305.88	2.64	-46.04
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010780219	0	38	-1.0	-52.68	317.32	4.75	-47.93
COC(=O)C1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010780220	0	38	-1.0	-51.38	333.10	2.81	-48.57
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780221	0	33	-1.0	-57.10	301.50	5.43	-51.67
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CC2CC2)CCO1	REAL300010780222	0	37	-1.0	-47.86	310.22	3.58	-44.28
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCO1	REAL300010780223	0	37	-1.0	-51.62	321.15	4.62	-47.00
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CCO1	REAL300010780224	0	32	-1.0	-52.01	295.31	2.32	-49.69
O=C([O-])C1CN(S(=O)(=O)N2CCC3=CC=CN=C32)CCO1	REAL300010780225	0	35	-1.0	-53.82	300.72	3.84	-49.98
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=NN1C(C)C	REAL300010780226	0	39	-1.0	-47.85	322.69	3.04	-44.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)CCO1	REAL300010780227	0	37	-1.0	-51.38	326.20	5.63	-45.75
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)CCO1	REAL300010780228	0	32	-1.0	-50.13	292.91	2.48	-47.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)CCO1	REAL300010780229	0	30	-1.0	-48.86	282.37	3.98	-44.88
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=C1NCCC2	REAL300010780230	0	42	-1.0	-49.91	325.19	3.75	-46.16
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010780231	0	44	-1.0	-51.29	374.44	7.01	-44.28
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)CCO1	REAL300010780232	0	37	-1.0	-51.66	327.83	5.68	-45.98
O=C([O-])C1CN(S(=O)(=O)C2=CSC=C2Br)CCO1	REAL300010780233	0	27	-1.0	-48.51	266.67	2.65	-45.86
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)CCO1	REAL300010780234	0	34	-1.0	-51.55	313.64	3.83	-47.72
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780235	0	32	-1.0	-44.98	286.67	2.44	-42.54
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CCO1	REAL300010780236	0	35	-1.0	-52.89	298.99	3.75	-49.14
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780237	0	39	-1.0	-56.73	328.88	5.38	-51.35
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCO1	REAL300010780238	0	41	-1.0	-52.15	350.56	7.56	-44.59
CC1=CN=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300010780239	0	35	-1.0	-54.51	300.09	2.94	-51.57
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)CCO1	REAL300010780240	0	33	-1.0	-54.79	301.90	4.30	-50.49
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC(Br)=C2)CCO1	REAL300010780241	0	29	-1.0	-47.74	282.54	2.23	-45.51
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCO1	REAL300010780242	0	32	-1.0	-54.85	284.27	2.65	-52.20
O=C([O-])C1CN(S(=O)(=O)N2CC=C(Br)CC2)CCO1	REAL300010780243	0	33	-1.0	-48.68	295.21	3.03	-45.65
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780244	0	38	-1.0	-56.46	321.90	-0.85	-57.31
O=C([O-])C1CN(S(=O)(=O)N2CC3CCC(C2)O3)CCO1	REAL300010780245	0	37	-1.0	-49.64	296.81	1.55	-48.09
N#CC1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010780246	0	36	-1.0	-52.45	304.58	2.91	-49.54
CC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010780247	0	32	-1.0	-48.99	302.69	2.64	-46.35
O=C([O-])C1CN(S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCO1	REAL300010780248	0	29	-1.0	-49.17	290.83	2.73	-46.44
O=C([O-])C1CN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)CCO1	REAL300010780249	0	34	-1.0	-55.67	314.20	2.71	-52.96
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CCO1	REAL300010780250	0	34	-1.0	-51.26	303.95	4.72	-46.54
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)CCO1	REAL300010780251	0	34	-1.0	-50.86	314.26	5.17	-45.69
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780252	0	39	-1.0	-60.73	346.42	3.02	-57.71
COC1=CC=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780253	0	33	-1.0	-53.98	291.89	0.84	-53.14
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)CCO1	REAL300010780254	0	37	-1.0	-54.14	318.04	5.71	-48.43
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010780255	0	33	-1.0	-48.83	306.63	4.78	-44.05
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)CCO1	REAL300010780256	0	34	-1.0	-52.51	313.67	3.16	-49.35
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(F)F)=C1	REAL300010780257	0	37	-1.0	-48.92	314.11	3.81	-45.11
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010780258	0	43	-1.0	-55.76	370.28	5.06	-50.70
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C1	REAL300010780259	0	43	-1.0	-52.21	365.72	5.96	-46.25
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N=C1	REAL300010780260	0	33	-1.0	-50.98	292.52	0.78	-50.20
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780261	0	36	-1.0	-47.28	326.56	1.66	-45.62
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780262	0	36	-1.0	-51.73	329.70	5.60	-46.13
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780263	0	35	-1.0	-56.78	302.70	3.20	-53.58
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780264	0	36	-1.0	-61.67	303.39	4.99	-56.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CCO1	REAL300010780265	0	35	-1.0	-52.24	297.16	3.59	-48.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2I)CCO1	REAL300010780266	0	30	-1.0	-49.44	283.07	4.65	-44.79
CCOC1=CC=CN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780267	0	36	-1.0	-57.68	312.19	2.56	-55.12
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C=C1	REAL300010780268	0	41	-1.0	-54.43	362.15	4.47	-49.96
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010780269	0	38	-1.0	-57.50	318.97	5.00	-52.50
O=C([O-])C1CN(S(=O)(=O)C2=C(Br)C=NS2)CCO1	REAL300010780270	0	26	-1.0	-46.25	272.36	1.68	-44.57
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(C)=N1	REAL300010780271	0	35	-1.0	-50.12	304.07	2.91	-47.21
O=C([O-])C1CN(S(=O)(=O)N2CCC(F)(F)C2)CCO1	REAL300010780272	0	32	-1.0	-51.17	283.26	1.93	-49.24
NC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780273	0	32	-1.0	-51.18	302.68	1.93	-49.25
O=C([O-])C1CN(C(=O)N2CCC(C(F)(F)F)CC2)CCO1	REAL300010780274	0	37	-1.0	-55.43	296.09	5.84	-49.59
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010780275	0	32	-1.0	-51.45	295.39	2.79	-48.66
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC=C2C(F)F)CCO1	REAL300010780276	0	32	-1.0	-58.42	277.16	2.40	-56.02
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C(Cl)S1	REAL300010780277	0	30	-1.0	-44.08	279.63	3.38	-40.70
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CCO1	REAL300010780278	0	32	-1.0	-50.65	294.64	2.42	-48.23
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CCO1	REAL300010780279	0	37	-1.0	-51.80	335.86	4.32	-47.48
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCOC(C(=O)[O-])C1)C2	REAL300010780280	0	47	-1.0	-54.89	327.09	7.53	-47.36
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780281	0	43	-1.0	-51.44	344.37	5.29	-46.15
CC1=CC=C(O)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780282	0	34	-1.0	-50.51	287.14	2.21	-48.30
O=C([O-])C1CN(S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)CCO1	REAL300010780283	1	35	-1.0	-51.09	317.98	2.43	-48.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010780284	0	34	-1.0	-46.74	299.67	6.47	-40.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010780285	0	28	-1.0	-41.63	270.73	4.49	-37.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1Br	REAL300010780286	0	28	-1.0	-45.75	254.32	4.14	-41.61
COC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780287	0	34	-1.0	-50.16	289.34	5.40	-44.76
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780288	0	37	-1.0	-44.66	324.19	5.37	-39.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010780289	0	28	-1.0	-46.41	265.57	4.44	-41.97
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780290	0	34	-1.0	-53.99	303.62	4.57	-49.42
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010780291	0	44	-1.0	-53.42	376.73	1.38	-52.04
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780292	0	45	-1.0	-48.48	386.19	3.58	-44.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010780293	0	39	-1.0	-48.62	345.04	1.87	-46.75
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780294	0	38	-1.0	-47.73	330.83	2.82	-44.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010780295	0	30	-1.0	-41.53	278.52	4.63	-36.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010780296	0	28	-1.0	-44.89	267.02	4.93	-39.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010780297	0	28	-1.0	-42.28	271.67	4.58	-37.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010780298	0	28	-1.0	-46.58	291.67	5.80	-40.78
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780299	0	32	-1.0	-49.07	298.53	3.87	-45.20
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780300	0	39	-1.0	-51.04	326.30	2.59	-48.45
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010780301	0	28	-1.0	-45.51	281.57	4.85	-40.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010780302	0	34	-1.0	-39.42	325.48	5.91	-33.51
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010780303	0	40	-1.0	-52.83	358.13	5.20	-47.63
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780304	0	40	-1.0	-56.28	343.46	6.10	-50.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010780305	0	31	-1.0	-37.39	286.61	5.65	-31.74
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010780306	0	31	-1.0	-41.78	287.19	5.08	-36.70
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1NC(C)=O	REAL300010780307	0	39	-1.0	-59.02	332.41	2.22	-56.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010780308	0	32	-1.0	-40.88	293.54	3.58	-37.30
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1C	REAL300010780309	0	43	-1.0	-51.74	318.37	6.80	-44.94
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010780310	0	37	-1.0	-50.41	311.42	3.84	-46.57
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780311	0	33	-1.0	-49.95	292.33	5.02	-44.93
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)S1	REAL300010780312	0	25	-1.0	-41.53	263.05	3.59	-37.94
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1Cl	REAL300010780313	0	34	-1.0	-49.16	299.92	6.05	-43.11
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780314	0	32	-1.0	-42.60	291.55	4.32	-38.28
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780315	0	46	-1.0	-50.50	344.95	7.49	-43.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010780316	0	44	-1.0	-49.42	350.45	7.71	-41.71
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010780317	0	31	-1.0	-40.73	288.19	4.87	-35.86
COC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780318	0	36	-1.0	-46.23	299.85	3.03	-43.20
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780319	0	36	-1.0	-50.39	306.84	3.03	-47.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010780320	0	38	-1.0	-46.01	344.78	3.43	-42.58
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780321	0	35	-1.0	-48.13	321.85	2.01	-46.12
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780322	0	38	-1.0	-51.79	310.81	3.11	-48.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010780323	0	25	-1.0	-38.55	263.60	3.74	-34.81
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780324	0	43	-1.0	-43.82	352.39	7.30	-36.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010780325	0	38	-1.0	-45.80	323.12	7.21	-38.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010780326	0	31	-1.0	-41.80	289.27	5.01	-36.79
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010780327	0	28	-1.0	-46.74	287.11	5.69	-41.05
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780328	0	43	-1.0	-44.16	339.86	6.66	-37.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010780329	0	28	-1.0	-40.75	275.46	4.40	-36.35
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010780330	0	31	-1.0	-43.27	287.15	4.74	-38.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010780331	0	28	-1.0	-40.64	275.40	4.41	-36.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010780332	0	31	-1.0	-45.81	304.13	5.40	-40.41
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010780333	0	31	-1.0	-46.29	292.95	4.96	-41.33
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010780334	0	31	-1.0	-37.16	276.28	5.20	-31.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010780335	0	39	-1.0	-51.84	353.87	7.20	-44.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010780336	0	28	-1.0	-39.80	263.24	4.38	-35.42
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780337	0	34	-1.0	-41.61	298.41	4.35	-37.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010780338	0	31	-1.0	-40.09	308.96	5.41	-34.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010780339	0	28	-1.0	-45.87	275.63	4.56	-41.31
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300010780340	0	43	-1.0	-44.65	367.64	6.01	-38.64
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780341	0	35	-1.0	-51.74	317.99	3.35	-48.39
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010780342	0	44	-1.0	-47.50	354.50	7.12	-40.38
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1Cl	REAL300010780343	0	31	-1.0	-45.47	287.73	5.67	-39.80
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010780344	0	31	-1.0	-54.33	304.08	5.52	-48.81
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010780345	0	38	-1.0	-46.83	313.91	5.54	-41.29
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(N)=O	REAL300010780346	0	35	-1.0	-49.88	298.72	1.28	-48.60
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(N)=O	REAL300010780347	0	36	-1.0	-52.80	310.43	1.27	-51.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010780348	0	46	-1.0	-52.42	385.48	3.80	-48.62
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780349	0	33	-1.0	-39.46	280.48	4.87	-34.59
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010780350	0	35	-1.0	-60.84	304.58	2.68	-58.16
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780351	0	33	-1.0	-43.68	277.71	4.84	-38.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780352	0	34	-1.0	-45.28	320.95	5.03	-40.25
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010780353	0	27	-1.0	-49.92	265.78	2.61	-47.31
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010780354	0	37	-1.0	-55.61	334.46	2.07	-53.54
CC(=O)NC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1F	REAL300010780355	0	35	-1.0	-57.32	309.85	2.83	-54.49
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C21	REAL300010780356	0	42	-1.0	-65.43	340.58	5.43	-60.00
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1C	REAL300010780357	0	38	-1.0	-44.12	300.07	4.17	-39.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010780358	0	28	-1.0	-41.23	260.72	4.20	-37.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010780359	0	39	-1.0	-43.92	331.00	3.40	-40.52
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010780360	0	31	-1.0	-40.77	292.70	5.25	-35.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010780361	0	28	-1.0	-45.81	284.75	4.98	-40.83
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780362	0	41	-1.0	-51.06	352.63	3.58	-47.48
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780363	0	42	-1.0	-47.54	352.30	2.75	-44.79
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780364	0	36	-1.0	-51.85	305.63	6.23	-45.62
COCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780365	0	38	-1.0	-44.25	325.49	4.31	-39.94
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780366	0	44	-1.0	-44.07	359.45	6.17	-37.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010780367	0	42	-1.0	-43.95	344.08	6.09	-37.86
CC(C)COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780368	0	41	-1.0	-44.35	340.49	5.56	-38.79
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780369	0	38	-1.0	-44.55	320.40	4.81	-39.74
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780370	0	32	-1.0	-49.05	294.14	3.75	-45.30
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010780371	0	32	-1.0	-48.99	303.40	3.95	-45.04
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010780372	0	41	-1.0	-45.20	337.03	5.48	-39.72
COCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780373	0	39	-1.0	-46.51	332.51	3.34	-43.17
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780374	0	39	-1.0	-49.30	339.67	3.46	-45.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010780375	0	43	-1.0	-53.66	354.63	3.36	-50.30
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Br)=C1	REAL300010780376	0	31	-1.0	-45.66	275.94	4.86	-40.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010780377	0	34	-1.0	-49.19	312.99	1.53	-47.66
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780378	0	34	-1.0	-47.88	305.49	5.97	-41.91
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780379	0	34	-1.0	-45.24	325.52	5.14	-40.10
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780380	0	32	-1.0	-51.68	285.71	4.25	-47.43
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010780381	0	32	-1.0	-47.20	291.69	4.78	-42.42
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780382	0	45	-1.0	-47.58	385.56	3.03	-44.55
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1OC	REAL300010780383	0	38	-1.0	-51.56	330.20	4.53	-47.03
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010780384	0	37	-1.0	-43.30	318.49	5.08	-38.22
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010780385	0	38	-1.0	-57.40	317.77	-0.61	-58.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010780386	0	37	-1.0	-55.34	318.11	3.94	-51.40
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010780387	0	37	-1.0	-48.90	310.63	4.98	-43.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010780388	0	41	-1.0	-51.41	345.79	6.50	-44.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010780389	0	36	-1.0	-61.58	314.57	3.24	-58.34
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1Cl	REAL300010780390	0	35	-1.0	-50.80	325.64	3.64	-47.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010780391	0	35	-1.0	-54.73	313.07	5.10	-49.63
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1F	REAL300010780392	0	34	-1.0	-50.44	310.84	4.51	-45.93
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010780393	0	32	-1.0	-47.83	294.41	3.79	-44.04
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010780394	0	38	-1.0	-50.70	334.64	5.73	-44.97
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(Br)O1	REAL300010780395	0	31	-1.0	-39.15	297.97	2.93	-36.22
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C(Br)S1	REAL300010780396	0	28	-1.0	-37.78	265.80	3.94	-33.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010780397	0	29	-1.0	-47.26	284.83	4.70	-42.56
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300010780398	0	36	-1.0	-50.03	293.83	6.19	-43.84
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780399	0	34	-1.0	-44.47	305.26	4.67	-39.80
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780400	0	37	-1.0	-47.69	315.07	1.74	-45.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010780401	0	32	-1.0	-38.05	290.98	5.46	-32.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010780402	0	29	-1.0	-49.03	284.85	4.70	-44.33
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780403	0	44	-1.0	-49.51	361.66	5.64	-43.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010780404	0	39	-1.0	-49.73	335.75	3.87	-45.86
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010780405	0	40	-1.0	-48.39	357.94	1.64	-46.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780406	0	36	-1.0	-48.97	325.54	-0.03	-49.00
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780407	0	38	-1.0	-51.04	343.64	2.78	-48.26
COC(=O)C1=C(C)OC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780408	0	34	-1.0	-48.25	306.00	3.29	-44.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010780409	0	30	-1.0	-59.26	270.29	5.38	-53.88
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010780410	0	31	-1.0	-53.91	305.65	5.49	-48.42
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C)N1	REAL300010780411	0	41	-1.0	-50.16	344.11	4.51	-45.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010780412	0	28	-1.0	-47.01	264.79	4.67	-42.34
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S2)=CS1	REAL300010780413	0	34	-1.0	-46.15	328.88	4.42	-41.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010780414	0	48	-1.0	-44.18	383.50	7.41	-36.77
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010780415	0	38	-1.0	-47.03	346.70	3.45	-43.58
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(I)=C1	REAL300010780416	0	28	-1.0	-41.35	276.71	4.90	-36.45
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780417	0	37	-1.0	-43.50	309.06	4.86	-38.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010780418	0	30	-1.0	-40.82	279.28	5.98	-34.84
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780419	0	36	-1.0	-46.74	309.34	3.03	-43.71
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780420	0	39	-1.0	-43.61	311.13	3.41	-40.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010780421	0	30	-1.0	-49.47	291.27	6.35	-43.12
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010780422	0	31	-1.0	-53.34	289.23	4.84	-48.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010780423	0	29	-1.0	-47.66	269.71	4.29	-43.37
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Br)=C1	REAL300010780424	0	34	-1.0	-42.93	311.52	4.96	-37.97
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780425	0	31	-1.0	-49.38	287.61	5.02	-44.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010780426	0	32	-1.0	-43.19	290.03	0.96	-42.23
COC(=O)CN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300010780427	0	34	-1.0	-52.89	307.03	2.66	-50.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010780428	0	34	-1.0	-43.52	299.96	6.61	-36.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010780429	0	33	-1.0	-35.03	298.12	5.80	-29.23
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780430	0	37	-1.0	-45.06	347.38	6.06	-39.00
CC1=C(Br)SC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780431	0	28	-1.0	-42.09	280.89	4.21	-37.88
CC1=C(Br)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780432	0	33	-1.0	-39.54	313.68	5.61	-33.93
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(F)=C1F	REAL300010780433	0	34	-1.0	-41.81	315.06	4.61	-37.20
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010780434	0	46	-1.0	-49.24	335.15	5.49	-43.75
CC1=NC2=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CC=C2C=C1	REAL300010780435	0	36	-1.0	-53.21	300.39	5.38	-47.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010780436	0	39	-1.0	-50.82	325.77	2.44	-48.38
CC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1Br	REAL300010780437	0	31	-1.0	-44.18	275.04	4.87	-39.31
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780438	0	34	-1.0	-44.25	301.27	4.88	-39.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010780439	0	36	-1.0	-43.66	305.72	1.64	-42.02
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010780440	0	34	-1.0	-47.33	303.63	4.57	-42.76
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780441	0	34	-1.0	-39.39	293.42	5.24	-34.15
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010780442	0	34	-1.0	-48.29	319.18	4.95	-43.34
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010780443	0	41	-1.0	-48.37	332.64	6.15	-42.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780444	0	38	-1.0	-45.97	311.81	5.24	-40.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010780445	0	33	-1.0	-59.87	296.39	4.00	-55.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010780446	0	35	-1.0	-48.97	308.25	5.01	-43.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010780447	0	42	-1.0	-46.95	367.14	5.88	-41.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010780448	0	30	-1.0	-47.20	293.03	5.03	-42.17
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780449	0	42	-1.0	-46.89	354.38	4.24	-42.65
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780450	0	44	-1.0	-44.40	363.40	6.37	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010780451	0	30	-1.0	-57.80	279.18	5.84	-51.96
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1F	REAL300010780452	0	34	-1.0	-49.54	307.46	4.50	-45.04
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010780453	0	34	-1.0	-40.61	317.61	5.00	-35.61
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780454	0	38	-1.0	-46.17	324.90	4.34	-41.83
COC(=O)C1=CSC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780455	0	31	-1.0	-43.55	295.73	3.56	-39.99
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780456	0	40	-1.0	-43.97	324.50	5.36	-38.61
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1C	REAL300010780457	0	37	-1.0	-50.27	318.94	5.01	-45.26
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780458	0	34	-1.0	-46.61	303.26	4.42	-42.19
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010780459	0	34	-1.0	-47.45	297.85	5.69	-41.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010780460	0	27	-1.0	-41.25	264.01	2.70	-38.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010780461	0	32	-1.0	-41.00	303.94	5.25	-35.75
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010780462	0	42	-1.0	-51.16	359.18	1.75	-49.41
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010780463	0	28	-1.0	-45.76	275.12	4.49	-41.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010780464	0	35	-1.0	-56.14	312.31	1.76	-54.38
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780465	0	31	-1.0	-41.75	273.40	4.89	-36.86
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010780466	0	32	-1.0	-47.38	298.54	3.87	-43.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010780467	0	39	-1.0	-45.42	326.40	5.04	-40.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010780468	0	36	-1.0	-53.01	327.58	0.67	-52.34
CCC(=O)NCC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1OC	REAL300010780469	0	45	-1.0	-55.30	379.03	2.99	-52.31
COC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780470	0	32	-1.0	-44.66	286.07	3.51	-41.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780471	0	37	-1.0	-51.81	331.60	2.29	-49.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010780472	0	30	-1.0	-42.14	295.96	3.80	-38.34
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780473	0	33	-1.0	-48.29	290.95	4.41	-43.88
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010780474	0	29	-1.0	-40.66	291.56	4.87	-35.79
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780475	0	35	-1.0	-48.70	320.39	4.79	-43.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010780476	0	33	-1.0	-48.10	299.29	-0.64	-48.74
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010780477	0	42	-1.0	-45.96	360.68	5.84	-40.12
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780478	0	33	-1.0	-41.75	301.12	4.01	-37.74
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010780479	0	36	-1.0	-62.08	312.20	5.12	-56.96
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780480	0	44	-1.0	-53.69	383.99	2.51	-51.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010780481	0	38	-1.0	-53.02	328.86	4.81	-48.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010780482	0	33	-1.0	-48.62	297.19	3.97	-44.65
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1	REAL300010780483	0	38	-1.0	-43.83	304.24	4.46	-39.37
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780484	0	36	-1.0	-49.05	325.54	-0.03	-49.08
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780485	0	37	-1.0	-47.66	314.92	5.30	-42.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010780486	0	32	-1.0	-44.84	280.16	4.01	-40.83
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780487	0	40	-1.0	-44.42	345.69	6.16	-38.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010780488	0	46	-1.0	-55.18	385.23	3.81	-51.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010780489	0	34	-1.0	-45.42	301.14	3.38	-42.04
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010780490	0	34	-1.0	-55.62	311.36	5.60	-50.02
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780491	0	39	-1.0	-42.73	317.41	5.60	-37.13
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010780492	0	27	-1.0	-45.42	262.48	2.55	-42.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010780493	0	34	-1.0	-47.28	283.79	3.51	-43.77
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780494	0	31	-1.0	-39.89	275.62	4.87	-35.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010780495	0	36	-1.0	-44.20	308.74	2.98	-41.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010780496	0	44	-1.0	-50.49	362.67	4.78	-45.71
COC1=CC(Br)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780497	0	36	-1.0	-44.03	314.92	3.40	-40.63
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OCC	REAL300010780498	0	42	-1.0	-50.45	350.55	4.87	-45.58
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010780499	0	34	-1.0	-49.13	294.12	2.84	-46.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010780500	0	33	-1.0	-49.30	303.62	-1.17	-50.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010780501	0	39	-1.0	-50.03	327.26	4.99	-45.04
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300010780502	0	42	-1.0	-57.66	339.93	5.37	-52.29
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300010780503	0	36	-1.0	-39.17	297.41	5.38	-33.79
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780504	0	34	-1.0	-44.66	302.31	4.51	-40.15
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300010780505	0	39	-1.0	-51.84	326.45	4.87	-46.97
CNC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780506	0	35	-1.0	-49.48	303.99	2.06	-47.42
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2CC1C	REAL300010780507	0	42	-1.0	-51.76	342.06	5.46	-46.30
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CS1	REAL300010780508	0	31	-1.0	-47.30	285.09	4.04	-43.26
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780509	0	31	-1.0	-42.74	297.31	3.64	-39.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010780510	0	32	-1.0	-47.72	305.27	5.08	-42.64
CCOC(=O)C1=CNN=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780511	0	34	-1.0	-61.21	302.21	2.40	-58.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010780512	0	34	-1.0	-46.64	304.11	0.84	-45.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010780513	0	34	-1.0	-43.32	298.28	1.07	-42.25
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010780514	0	34	-1.0	-44.07	301.21	1.25	-42.82
CC1=CC2=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2N=C1	REAL300010780515	0	36	-1.0	-54.10	303.32	5.54	-48.56
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010780516	0	34	-1.0	-44.89	290.74	4.70	-40.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780517	0	32	-1.0	-42.75	286.99	4.21	-38.54
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010780518	0	32	-1.0	-46.17	286.97	4.22	-41.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010780519	0	33	-1.0	-49.21	303.11	-1.24	-50.45
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780520	0	34	-1.0	-45.54	303.71	4.45	-41.09
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010780521	0	40	-1.0	-55.15	357.40	1.59	-53.56
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010780522	0	33	-1.0	-41.03	299.62	5.29	-35.74
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010780523	0	34	-1.0	-55.96	304.12	0.28	-55.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010780524	0	34	-1.0	-52.96	310.13	1.39	-51.57
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010780525	0	35	-1.0	-42.24	315.07	3.14	-39.10
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010780526	0	36	-1.0	-53.62	315.27	5.35	-48.27
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CN=C12	REAL300010780527	0	36	-1.0	-47.74	297.78	4.85	-42.89
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010780528	0	34	-1.0	-52.59	302.63	3.81	-48.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010780529	0	33	-1.0	-45.92	295.51	5.39	-40.53
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010780530	0	36	-1.0	-47.96	301.08	6.62	-41.34
CCOC(=O)C1CCCN(S(=O)(=O)N(C)C(C)C(=O)[O-])C1	REAL300010780531	0	42	-1.0	-45.12	343.91	4.49	-40.63
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780532	0	32	-1.0	-42.11	307.85	5.04	-37.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010780533	0	32	-1.0	-47.14	294.11	3.62	-43.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010780534	0	39	-1.0	-55.81	344.94	1.86	-53.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010780535	0	30	-1.0	-45.87	281.38	5.96	-39.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010780536	0	40	-1.0	-56.45	333.61	3.23	-53.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010780537	0	38	-1.0	-46.33	313.62	7.61	-38.72
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780538	0	37	-1.0	-52.93	325.27	5.48	-47.45
CCOC(=O)N1CCC(S(=O)(=O)N(C)C(C)C(=O)[O-])CC1	REAL300010780539	0	42	-1.0	-42.84	338.75	3.80	-39.04
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010780540	0	28	-1.0	-41.36	268.83	4.47	-36.89
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780541	0	35	-1.0	-51.98	303.92	2.66	-49.32
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780542	0	33	-1.0	-39.15	282.57	4.89	-34.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780543	0	35	-1.0	-41.71	310.17	5.12	-36.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010780544	0	34	-1.0	-47.71	292.17	3.05	-44.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780545	0	43	-1.0	-43.16	330.61	6.57	-36.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010780546	0	28	-1.0	-45.93	280.54	4.87	-41.06
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010780547	0	28	-1.0	-41.59	267.28	4.54	-37.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010780548	0	31	-1.0	-49.51	287.12	4.75	-44.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010780549	0	31	-1.0	-42.76	270.05	5.10	-37.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010780550	0	31	-1.0	-45.73	300.02	5.24	-40.49
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010780551	0	31	-1.0	-40.85	289.12	4.97	-35.88
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=CO1	REAL300010780552	0	37	-1.0	-50.47	325.31	2.85	-47.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010780553	0	27	-1.0	-39.22	276.52	2.95	-36.27
COC1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780554	0	32	-1.0	-45.08	282.06	3.35	-41.73
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010780555	0	37	-1.0	-53.84	333.12	6.56	-47.28
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010780556	0	36	-1.0	-45.12	315.94	3.38	-41.74
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780557	0	37	-1.0	-48.25	325.88	5.24	-43.01
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N2)C=C1	REAL300010780558	0	38	-1.0	-46.80	329.65	5.69	-41.11
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C21	REAL300010780559	0	39	-1.0	-62.96	328.20	5.01	-57.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010780560	0	29	-1.0	-52.73	269.21	4.23	-48.50
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010780561	0	42	-1.0	-52.35	346.81	4.05	-48.30
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010780562	0	36	-1.0	-43.62	321.33	4.97	-38.65
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010780563	0	33	-1.0	-41.16	293.65	5.05	-36.11
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010780564	0	42	-1.0	-40.27	363.84	6.41	-33.86
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300010780565	0	39	-1.0	-54.68	336.35	4.65	-50.03
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(F)C=C1Br	REAL300010780566	0	34	-1.0	-42.57	319.59	4.93	-37.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010780567	0	30	-1.0	-46.88	279.54	3.33	-43.55
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780568	0	38	-1.0	-50.90	315.16	4.09	-46.81
CC(=O)NC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1C	REAL300010780569	0	38	-1.0	-63.26	323.00	3.61	-59.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010780570	0	40	-1.0	-47.21	321.76	4.40	-42.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010780571	0	34	-1.0	-44.98	298.94	2.91	-42.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010780572	0	37	-1.0	-44.98	322.41	5.51	-39.47
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(OC)=C1	REAL300010780573	0	36	-1.0	-51.68	307.09	2.43	-49.25
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780574	0	36	-1.0	-46.22	296.79	5.79	-40.43
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C)O1	REAL300010780575	0	34	-1.0	-40.28	296.23	3.14	-37.14
COC(=O)C1=NSC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780576	0	30	-1.0	-60.01	282.14	2.51	-57.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010780577	0	36	-1.0	-50.92	307.30	2.35	-48.57
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1C	REAL300010780578	0	35	-1.0	-56.06	309.77	4.00	-52.06
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780579	0	39	-1.0	-46.67	332.06	5.71	-40.96
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010780580	0	31	-1.0	-54.91	294.90	5.14	-49.77
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Br)=C1	REAL300010780581	0	37	-1.0	-42.80	333.25	5.85	-36.95
CCOC(=O)C1CCCN1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780582	0	39	-1.0	-46.74	324.48	4.50	-42.24
CNC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1C	REAL300010780583	0	36	-1.0	-52.84	312.55	1.55	-51.29
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1	REAL300010780584	0	38	-1.0	-50.42	298.00	4.42	-46.00
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010780585	0	34	-1.0	-41.94	307.49	1.54	-40.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010780586	0	36	-1.0	-45.45	312.07	3.18	-42.27
COC(=O)C1=CC=C(CS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780587	0	37	-1.0	-43.28	326.08	5.25	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010780588	0	39	-1.0	-45.15	323.01	3.98	-41.17
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780589	0	37	-1.0	-59.38	326.98	5.21	-54.17
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])O1	REAL300010780590	0	34	-1.0	-48.76	310.02	3.62	-45.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010780591	0	39	-1.0	-51.04	332.84	8.02	-43.02
COC(=O)COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780592	0	38	-1.0	-49.58	333.39	4.77	-44.81
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780593	0	41	-1.0	-47.00	354.36	4.86	-42.14
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010780594	0	38	-1.0	-44.15	304.43	4.39	-39.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010780595	0	31	-1.0	-55.31	276.16	5.30	-50.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010780596	0	30	-1.0	-40.68	283.84	6.09	-34.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780597	0	33	-1.0	-59.68	272.86	5.58	-54.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010780598	0	30	-1.0	-39.01	284.98	4.93	-34.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CS1	REAL300010780599	0	25	-1.0	-51.01	257.48	3.37	-47.64
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010780600	0	36	-1.0	-51.59	291.64	4.89	-46.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010780601	0	36	-1.0	-49.56	308.18	2.93	-46.63
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010780602	0	27	-1.0	-42.52	266.92	2.72	-39.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010780603	0	30	-1.0	-44.28	276.58	4.41	-39.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010780604	0	30	-1.0	-45.24	293.02	5.03	-40.21
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780605	0	37	-1.0	-53.07	329.86	2.26	-50.81
CCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010780606	0	33	-1.0	-61.24	298.27	4.55	-56.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010780607	0	30	-1.0	-42.93	274.80	5.21	-37.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010780608	0	30	-1.0	-41.70	283.55	4.53	-37.17
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010780609	0	35	-1.0	-45.01	319.85	4.48	-40.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010780610	0	30	-1.0	-45.52	285.95	6.06	-39.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010780611	0	42	-1.0	-45.61	360.19	7.07	-38.54
CC(C(=O)[O-])N(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010780612	0	43	-1.0	-48.82	326.73	6.21	-42.61
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010780613	0	36	-1.0	-48.04	322.08	0.50	-47.54
CCOC(=O)N1CCN(S(=O)(=O)N(C)C(C)C(=O)[O-])CC1	REAL300010780614	0	41	-1.0	-51.50	332.56	2.45	-49.05
COC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010780615	0	37	-1.0	-53.19	321.94	4.82	-48.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010780616	0	38	-1.0	-45.78	333.52	5.41	-40.37
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780617	0	50	-1.0	-42.03	385.86	6.83	-35.20
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780618	0	34	-1.0	-44.23	309.25	4.85	-39.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010780619	0	36	-1.0	-48.70	321.11	0.55	-48.15
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010780620	0	34	-1.0	-57.12	313.72	1.44	-55.68
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780621	0	35	-1.0	-43.26	311.99	4.96	-38.30
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300010780622	0	40	-1.0	-51.91	339.09	5.35	-46.56
CC1=CN(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2F)N=C1	REAL300010780623	0	38	-1.0	-54.59	333.23	5.93	-48.66
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780624	0	35	-1.0	-42.98	322.99	2.97	-40.01
CCS(=O)(=O)NCCS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780625	0	35	-1.0	-61.26	312.40	-1.40	-62.66
CC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780626	0	33	-1.0	-40.03	296.58	5.19	-34.84
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010780627	0	34	-1.0	-48.88	300.83	5.12	-43.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010780628	0	25	-1.0	-38.66	268.24	3.84	-34.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010780629	0	40	-1.0	-53.17	341.47	5.77	-47.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010780630	0	28	-1.0	-43.79	269.85	4.41	-39.38
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010780631	0	34	-1.0	-50.02	303.05	5.42	-44.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010780632	0	34	-1.0	-52.20	321.45	4.65	-47.55
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300010780633	0	36	-1.0	-48.72	314.43	3.56	-45.16
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780634	0	35	-1.0	-56.41	317.07	4.43	-51.98
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010780635	0	31	-1.0	-41.29	299.85	5.27	-36.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010780636	0	37	-1.0	-45.11	330.47	6.64	-38.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010780637	0	30	-1.0	-39.17	284.81	4.88	-34.29
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780638	0	34	-1.0	-49.44	295.74	5.52	-43.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010780639	0	40	-1.0	-55.81	345.53	2.30	-53.51
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN=C2S1	REAL300010780640	0	42	-1.0	-47.16	372.51	5.44	-41.72
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010780641	0	35	-1.0	-40.72	317.26	4.38	-36.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010780642	0	28	-1.0	-41.48	271.83	4.65	-36.83
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780643	0	36	-1.0	-43.27	320.02	3.67	-39.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010780644	0	36	-1.0	-47.63	317.78	1.24	-46.39
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780645	0	37	-1.0	-43.72	331.11	5.77	-37.95
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(Br)C=C1F	REAL300010780646	0	34	-1.0	-40.73	316.06	5.00	-35.73
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1F	REAL300010780647	0	37	-1.0	-49.66	329.82	5.50	-44.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010780648	0	36	-1.0	-48.42	305.72	4.56	-43.86
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010780649	0	31	-1.0	-43.85	303.32	5.83	-38.02
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010780650	0	34	-1.0	-43.25	312.07	6.70	-36.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010780651	0	31	-1.0	-44.10	296.44	5.60	-38.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010780652	0	34	-1.0	-48.68	295.87	6.79	-41.89
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010780653	0	34	-1.0	-47.98	299.15	6.38	-41.60
COC1=CC(Br)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780654	0	32	-1.0	-41.83	302.18	4.13	-37.70
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C2O1	REAL300010780655	0	42	-1.0	-49.09	361.03	6.08	-43.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010780656	0	34	-1.0	-53.51	313.72	1.44	-52.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010780657	0	41	-1.0	-50.10	356.86	5.44	-44.66
CC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010780658	0	39	-1.0	-60.34	348.56	0.93	-59.41
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010780659	0	29	-1.0	-51.05	277.46	4.52	-46.53
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1N(C)C	REAL300010780660	0	39	-1.0	-49.81	323.23	4.55	-45.26
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780661	0	33	-1.0	-36.97	293.14	5.22	-31.75
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010780662	0	31	-1.0	-61.61	277.49	4.19	-57.42
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780663	0	34	-1.0	-44.62	306.14	5.89	-38.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780664	0	40	-1.0	-50.82	318.19	4.13	-46.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010780665	0	34	-1.0	-52.55	309.62	1.32	-51.23
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010780666	0	44	-1.0	-55.06	367.68	1.51	-53.55
CCOC(=O)C1CCN(S(=O)(=O)N(C)C(C)C(=O)[O-])CC1	REAL300010780667	0	42	-1.0	-42.43	342.24	4.64	-37.79
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780668	0	36	-1.0	-52.95	305.52	5.62	-47.33
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010780669	0	43	-1.0	-54.21	370.87	2.93	-51.28
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780670	0	38	-1.0	-51.25	324.19	3.55	-47.70
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010780671	0	31	-1.0	-54.68	294.21	5.09	-49.59
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780672	0	37	-1.0	-53.34	317.54	5.59	-47.75
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780673	0	47	-1.0	-60.47	378.61	7.30	-53.17
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010780674	0	31	-1.0	-45.73	298.17	5.49	-40.24
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780675	0	35	-1.0	-53.64	318.75	3.31	-50.33
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780676	0	32	-1.0	-41.52	295.96	3.83	-37.69
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780677	0	40	-1.0	-53.25	329.35	2.34	-50.91
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CS1	REAL300010780678	0	31	-1.0	-43.70	294.95	3.58	-40.12
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780679	0	37	-1.0	-48.86	327.39	6.41	-42.45
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010780680	0	39	-1.0	-45.72	354.35	7.15	-38.57
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300010780681	0	37	-1.0	-46.41	304.33	4.89	-41.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010780682	0	30	-1.0	-41.83	298.44	5.09	-36.74
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780683	0	32	-1.0	-42.69	298.64	4.68	-38.01
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780684	0	40	-1.0	-49.94	325.05	4.42	-45.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=C1	REAL300010780685	0	42	-1.0	-44.79	359.04	7.32	-37.47
CC(C(=O)[O-])N(C)S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010780686	0	42	-1.0	-57.61	375.16	2.83	-54.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010780687	0	31	-1.0	-51.71	280.12	1.31	-50.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010780688	0	36	-1.0	-51.23	310.96	4.24	-46.99
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010780689	0	28	-1.0	-41.19	275.32	4.95	-36.24
COC(=O)C1CCN(S(=O)(=O)N(C)C(C)C(=O)[O-])CC1	REAL300010780690	0	39	-1.0	-48.32	319.83	3.67	-44.65
COC1=C(C)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010780691	0	38	-1.0	-45.31	321.26	4.78	-40.53
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010780692	0	37	-1.0	-51.28	342.94	4.93	-46.35
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010780693	0	28	-1.0	-50.65	281.81	4.02	-46.63
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010780694	0	41	-1.0	-59.43	369.44	5.98	-53.45
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010780695	0	37	-1.0	-45.29	328.20	5.75	-39.54
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010780696	0	45	-1.0	-61.93	385.59	3.62	-58.31
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010780697	0	34	-1.0	-51.21	314.54	4.51	-46.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010780698	0	34	-1.0	-51.73	331.26	5.03	-46.70
CC1=CC(Br)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780700	0	28	-1.0	-39.93	277.89	4.21	-35.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010780701	0	33	-1.0	-51.80	305.93	4.56	-47.24
CC1=C(Br)SC(S(=O)(=O)N(C)C(C)C(=O)[O-])=N1	REAL300010780702	0	27	-1.0	-46.49	272.84	1.97	-44.52
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780703	0	33	-1.0	-36.99	285.22	4.88	-32.11
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010780704	0	32	-1.0	-48.25	301.39	2.77	-45.48
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010780705	0	33	-1.0	-50.02	290.79	5.58	-44.44
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010780706	0	36	-1.0	-59.92	313.47	5.76	-54.16
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010780707	0	36	-1.0	-43.96	321.12	6.06	-37.90
CC1=NN2C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=NC2=C1Cl	REAL300010780708	0	33	-1.0	-47.02	309.61	3.86	-43.16
CCCCCCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(=O)NC1=O	REAL300010780709	0	46	-1.0	-56.34	381.54	4.51	-51.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010780710	0	28	-1.0	-44.12	275.31	4.21	-39.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010780711	0	39	-1.0	-47.93	327.18	5.59	-42.34
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010780712	0	32	-1.0	-57.56	298.32	4.97	-52.59
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010780713	0	33	-1.0	-49.76	301.57	5.18	-44.58
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780714	0	34	-1.0	-44.27	295.81	5.46	-38.81
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300010780715	0	46	-1.0	-47.87	390.40	2.00	-45.87
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300010780716	0	43	-1.0	-48.09	368.90	1.21	-46.88
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780717	1	43	-1.0	-42.09	350.83	0.95	-41.14
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010780718	0	42	-1.0	-51.40	370.03	2.28	-49.12
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010780719	0	42	-1.0	-54.89	354.51	5.10	-49.79
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010780720	0	31	-1.0	-59.11	281.30	3.62	-55.49
CC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780721	0	31	-1.0	-45.48	275.81	4.82	-40.66
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010780722	0	39	-1.0	-51.63	348.53	1.49	-50.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010780723	0	27	-1.0	-50.74	262.18	3.09	-47.65
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CC=C12	REAL300010780724	0	39	-1.0	-45.93	328.19	4.61	-41.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010780725	0	38	-1.0	-44.15	344.41	7.83	-36.32
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010780726	0	31	-1.0	-40.34	306.69	5.68	-34.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010780727	0	36	-1.0	-52.57	319.23	2.30	-50.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010780728	0	28	-1.0	-39.82	276.03	5.10	-34.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010780729	0	27	-1.0	-38.83	264.91	2.70	-36.13
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300010780730	0	33	-1.0	-44.42	298.28	2.68	-41.74
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010780731	0	31	-1.0	-48.91	307.30	0.68	-48.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010780732	0	47	-1.0	-50.17	402.38	4.82	-45.35
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780733	0	38	-1.0	-44.89	316.80	4.70	-40.19
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780734	0	42	-1.0	-50.50	382.86	1.47	-49.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010780735	0	37	-1.0	-52.55	332.51	3.57	-48.98
CC(=O)NC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780736	0	38	-1.0	-49.37	327.21	3.92	-45.45
CC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010780737	0	33	-1.0	-47.19	305.68	4.86	-42.33
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010780738	0	39	-1.0	-52.30	352.85	2.78	-49.52
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300010780739	0	41	-1.0	-46.59	347.26	6.42	-40.17
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010780740	0	32	-1.0	-47.82	308.25	5.36	-42.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010780741	0	37	-1.0	-52.51	309.16	7.52	-44.99
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010780742	0	36	-1.0	-61.14	297.94	5.44	-55.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010780743	0	34	-1.0	-58.90	283.73	5.42	-53.48
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010780744	0	41	-1.0	-57.28	338.26	5.23	-52.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010780745	0	34	-1.0	-41.39	316.15	1.92	-39.47
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780746	0	37	-1.0	-44.89	332.50	5.52	-39.37
CCC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010780747	0	37	-1.0	-44.86	319.92	3.94	-40.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010780748	0	45	-1.0	-58.63	360.86	5.66	-52.97
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780749	0	41	-1.0	-46.04	355.42	5.58	-40.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010780750	0	29	-1.0	-42.64	271.30	4.41	-38.23
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780751	0	32	-1.0	-39.62	299.23	4.40	-35.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010780752	0	48	-1.0	-48.87	367.52	5.49	-43.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010780753	0	45	-1.0	-55.06	375.45	6.11	-48.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010780754	0	42	-1.0	-40.23	341.11	4.20	-36.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010780755	0	39	-1.0	-44.59	347.80	4.57	-40.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010780756	0	30	-1.0	-42.76	282.28	3.08	-39.68
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])SC=N1	REAL300010780757	0	30	-1.0	-46.77	286.17	1.58	-45.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780758	0	34	-1.0	-45.05	310.64	4.59	-40.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010781001	0	31	-1.0	-45.89	287.71	2.92	-42.97
CCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010781002	0	36	-1.0	-49.80	310.56	5.66	-44.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781003	0	44	-1.0	-45.89	346.64	6.06	-39.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010781004	0	35	-1.0	-51.66	323.94	6.24	-45.42
COC1=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010781005	0	31	-1.0	-45.55	291.36	1.06	-44.49
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010781006	0	37	-1.0	-48.46	325.08	5.37	-43.09
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781007	0	37	-1.0	-42.66	342.42	5.44	-37.22
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=N1	REAL300010781008	0	37	-1.0	-44.72	335.68	5.34	-39.38
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1F	REAL300010781009	0	34	-1.0	-51.22	318.26	4.91	-46.31
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781010	0	37	-1.0	-47.34	323.54	5.06	-42.28
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781011	0	34	-1.0	-55.10	304.74	5.76	-49.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010781012	0	43	-1.0	-47.30	362.74	1.63	-45.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010781013	0	35	-1.0	-49.09	314.55	1.74	-47.35
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])SC(Br)=C1	REAL300010781014	0	28	-1.0	-42.25	275.85	4.38	-37.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010781015	0	37	-1.0	-52.24	303.85	4.25	-47.99
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781016	0	38	-1.0	-52.04	314.10	2.42	-49.62
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010781017	0	34	-1.0	-53.98	306.49	5.74	-48.24
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781018	0	32	-1.0	-39.62	299.50	4.44	-35.18
COC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)C(=O)[O-])C(=O)NCCC2	REAL300010781019	0	43	-1.0	-48.86	346.48	2.82	-46.04
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S2)C1	REAL300010781020	0	39	-1.0	-48.11	338.03	4.36	-43.75
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010781021	0	35	-1.0	-50.80	319.53	6.32	-44.48
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010781022	0	31	-1.0	-53.14	295.27	5.18	-47.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010781023	0	32	-1.0	-45.22	299.23	1.18	-44.04
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010781024	0	31	-1.0	-53.63	292.04	5.06	-48.57
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010781025	0	28	-1.0	-39.88	287.48	5.00	-34.88
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781026	0	35	-1.0	-50.18	304.85	1.23	-48.95
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781027	0	53	-1.0	-44.08	427.87	8.77	-35.31
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781028	0	43	-1.0	-48.24	358.79	6.14	-42.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010781029	0	28	-1.0	-38.31	288.60	5.24	-33.07
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781030	0	38	-1.0	-42.58	333.18	6.00	-36.58
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010781031	0	28	-1.0	-45.87	275.63	4.56	-41.31
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010781032	0	34	-1.0	-42.76	308.24	4.48	-38.28
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010781033	0	42	-1.0	-51.98	356.29	6.88	-45.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010781034	0	42	-1.0	-50.27	366.10	7.25	-43.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC=C1Br	REAL300010781035	0	27	-1.0	-53.98	258.97	2.77	-51.21
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2)=N1	REAL300010781036	0	40	-1.0	-44.78	330.89	3.33	-41.45
COC(CS(=O)(=O)N(C)C(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010781037	0	38	-1.0	-53.61	330.39	5.02	-48.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010781038	0	40	-1.0	-46.95	331.75	5.35	-41.60
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])N(C)N=C1	REAL300010781039	0	34	-1.0	-48.40	291.91	2.72	-45.68
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010781040	0	36	-1.0	-49.29	330.52	2.79	-46.50
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CC=C12	REAL300010781041	0	40	-1.0	-47.94	332.72	6.40	-41.54
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010781042	0	39	-1.0	-48.38	333.39	3.08	-45.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1F	REAL300010781043	0	34	-1.0	-51.26	307.79	4.42	-46.84
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(Cl)C=C21	REAL300010781044	0	39	-1.0	-59.61	331.06	5.16	-54.45
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781045	0	41	-1.0	-45.16	339.46	5.53	-39.63
COC(CS(=O)(=O)N(C)C(C)C(=O)[O-])C1CCCCC1	REAL300010781046	0	44	-1.0	-53.48	339.76	4.86	-48.62
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300010781047	0	47	-1.0	-49.37	379.57	6.87	-42.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010781048	0	31	-1.0	-55.44	295.71	3.57	-51.87
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010781049	0	36	-1.0	-48.24	302.85	5.82	-42.42
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010781050	0	41	-1.0	-50.68	351.91	6.17	-44.51
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])O1	REAL300010781051	0	34	-1.0	-48.69	306.05	3.27	-45.42
CCC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1CC1CC1	REAL300010781052	0	41	-1.0	-57.24	342.66	5.70	-51.54
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781053	0	34	-1.0	-47.57	310.05	6.07	-41.50
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C1	REAL300010781054	0	39	-1.0	-52.43	333.23	4.38	-48.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010781055	0	31	-1.0	-41.24	287.15	2.32	-38.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010781056	0	39	-1.0	-50.78	348.95	7.90	-42.88
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781057	0	31	-1.0	-40.00	281.76	4.97	-35.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010781058	0	38	-1.0	-56.30	305.73	6.81	-49.49
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010781059	0	48	-1.0	-46.44	400.60	8.64	-37.80
CC1=CC=C(Br)C(CS(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781060	0	34	-1.0	-54.01	310.30	5.78	-48.23
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781061	0	35	-1.0	-48.29	318.12	4.54	-43.75
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010781062	0	34	-1.0	-45.13	303.54	5.44	-39.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010781063	0	27	-1.0	-48.63	265.00	2.36	-46.27
CC(C)OC1=CN=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781064	0	37	-1.0	-43.66	312.22	2.96	-40.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010781065	0	34	-1.0	-50.97	303.99	2.41	-48.56
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010781066	0	35	-1.0	-47.50	324.46	3.09	-44.41
CCC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C)C=C1OC	REAL300010781067	0	41	-1.0	-43.06	323.66	4.96	-38.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010781068	0	34	-1.0	-40.62	320.64	5.74	-34.88
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781069	0	36	-1.0	-47.83	318.02	4.81	-43.02
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781070	0	31	-1.0	-39.62	291.01	5.43	-34.19
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010781071	0	37	-1.0	-49.62	297.34	6.92	-42.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010781072	0	35	-1.0	-43.50	307.45	3.89	-39.61
CC1=CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C2NC1=O	REAL300010781073	0	37	-1.0	-51.76	319.18	3.57	-48.19
CC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010781074	0	37	-1.0	-47.56	333.01	5.50	-42.06
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010781075	0	28	-1.0	-49.28	246.06	0.86	-48.42
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010781076	0	33	-1.0	-44.51	297.57	5.11	-39.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010781077	0	34	-1.0	-53.35	301.64	5.10	-48.25
CC(C(=O)[O-])N(C)S(=O)(=O)CCCN1CCN(C)CC1	REAL300010781078	1	44	-1.0	-41.56	347.21	0.60	-40.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010781079	0	28	-1.0	-48.94	264.34	1.71	-47.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010781080	0	37	-1.0	-40.33	339.10	6.08	-34.25
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010781081	0	28	-1.0	-39.47	267.70	2.15	-37.32
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781082	0	32	-1.0	-55.61	278.43	4.79	-50.82
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300010781083	0	37	-1.0	-42.92	316.71	2.39	-40.53
CCCCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=N1	REAL300010781084	0	40	-1.0	-50.84	329.55	4.36	-46.48
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(OC)C=C1F	REAL300010781085	0	38	-1.0	-42.33	331.38	4.40	-37.93
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781086	0	38	-1.0	-53.61	320.65	4.72	-48.89
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300010781087	0	44	-1.0	-50.00	358.58	6.15	-43.85
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010781088	0	40	-1.0	-49.01	326.33	6.08	-42.93
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010781089	0	31	-1.0	-40.51	293.13	5.12	-35.39
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010781090	0	47	-1.0	-54.35	374.19	8.45	-45.90
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781091	0	33	-1.0	-53.83	311.62	4.08	-49.75
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)NC=N1	REAL300010781092	0	25	-1.0	-53.72	247.90	1.82	-51.90
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010781093	0	36	-1.0	-46.40	317.58	4.65	-41.75
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010781094	0	27	-1.0	-42.73	262.35	2.61	-40.12
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781095	0	31	-1.0	-42.51	291.42	1.72	-40.79
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010781096	0	33	-1.0	-44.75	304.93	4.73	-40.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010781097	0	30	-1.0	-40.13	289.19	3.74	-36.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010781098	0	38	-1.0	-49.64	334.45	4.69	-44.95
CC(C(=O)[O-])N(C)S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010781099	0	31	-1.0	-40.64	289.23	4.70	-35.94
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Br)SC=N1	REAL300010781100	0	27	-1.0	-54.65	276.66	2.19	-52.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010781101	0	30	-1.0	-48.01	302.12	3.99	-44.02
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010781102	0	30	-1.0	-43.43	278.80	5.01	-38.42
CC(C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010781103	0	39	-1.0	-62.02	334.18	0.51	-61.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010781104	0	29	-1.0	-40.94	292.84	3.00	-37.94
COC(=O)C1=CC=C(CS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781105	0	37	-1.0	-43.28	326.08	5.25	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010781106	0	31	-1.0	-49.79	296.20	5.04	-44.75
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010781107	0	31	-1.0	-48.21	272.80	2.16	-46.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010781108	0	38	-1.0	-46.85	306.01	3.93	-42.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1Br	REAL300010781109	0	25	-1.0	-43.53	247.14	3.14	-40.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010781110	0	40	-1.0	-42.24	316.77	4.16	-38.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010781111	0	38	-1.0	-50.07	316.01	4.25	-45.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010781112	0	31	-1.0	-43.96	274.20	2.48	-41.48
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781113	0	46	-1.0	-50.49	387.80	5.66	-44.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1Br	REAL300010781114	0	28	-1.0	-51.00	266.18	1.77	-49.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010781115	0	30	-1.0	-50.33	283.11	2.88	-47.45
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781116	0	35	-1.0	-56.82	306.74	3.98	-52.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010781117	0	42	-1.0	-44.11	353.59	5.09	-39.02
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781118	0	31	-1.0	-39.51	291.01	5.43	-34.08
CC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010781119	0	33	-1.0	-52.77	295.41	4.39	-48.38
CC(C(=O)[O-])N(C)S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010781120	0	37	-1.0	-68.97	312.05	1.87	-67.10
CCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300010781121	0	50	-1.0	-49.04	401.58	7.73	-41.31
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010781122	0	31	-1.0	-48.39	284.79	4.72	-43.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010781123	0	39	-1.0	-46.44	326.12	4.15	-42.29
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010781124	0	32	-1.0	-50.59	297.14	5.55	-45.04
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010781125	0	50	-1.0	-45.72	391.56	7.56	-38.16
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1CC	REAL300010781126	0	44	-1.0	-49.00	362.66	6.34	-42.66
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781127	0	34	-1.0	-47.76	285.29	5.64	-42.12
COCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010781128	0	39	-1.0	-50.93	354.01	4.06	-46.87
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781129	0	42	-1.0	-51.41	342.28	3.55	-47.86
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010781130	0	31	-1.0	-54.28	303.84	5.59	-48.69
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010781131	0	31	-1.0	-54.84	294.72	5.19	-49.65
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010781132	0	38	-1.0	-59.67	330.69	5.84	-53.83
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781133	0	34	-1.0	-40.64	310.33	5.80	-34.84
COC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1F	REAL300010781134	0	32	-1.0	-50.47	296.43	4.08	-46.39
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781135	0	38	-1.0	-41.69	323.54	6.13	-35.56
CCOC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])N(C)N=C1	REAL300010781136	0	37	-1.0	-48.57	313.77	3.65	-44.92
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010781137	0	32	-1.0	-45.02	295.08	5.40	-39.62
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(=O)OC	REAL300010781138	0	40	-1.0	-53.16	354.32	5.53	-47.63
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781139	0	41	-1.0	-50.02	344.59	4.54	-45.48
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010781140	0	37	-1.0	-56.87	310.67	4.59	-52.28
COC(=O)C1=CC=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781141	0	33	-1.0	-55.05	298.71	2.77	-52.28
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781142	0	44	-1.0	-50.37	363.44	6.65	-43.72
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300010781143	0	48	-1.0	-57.37	374.13	6.31	-51.06
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781144	0	35	-1.0	-56.73	305.49	3.99	-52.74
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010781145	0	42	-1.0	-44.36	343.10	3.92	-40.44
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010781146	0	43	-1.0	-66.63	359.30	6.55	-60.08
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C21	REAL300010781147	0	42	-1.0	-63.01	348.50	5.83	-57.18
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300010781148	0	43	-1.0	-44.00	378.34	7.73	-36.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010781149	0	38	-1.0	-49.22	314.13	4.40	-44.82
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010781150	0	40	-1.0	-44.36	335.66	6.70	-37.66
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781151	0	41	-1.0	-45.83	344.97	5.24	-40.59
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781152	0	38	-1.0	-47.57	318.85	4.69	-42.88
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010781153	0	39	-1.0	-47.11	322.73	1.90	-45.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010781154	0	34	-1.0	-46.31	314.39	4.76	-41.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010781155	0	34	-1.0	-45.02	298.41	1.12	-43.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CO1	REAL300010781156	0	25	-1.0	-49.73	249.91	2.58	-47.15
COC1=C(F)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010781157	0	32	-1.0	-45.77	294.50	3.44	-42.33
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010781158	0	32	-1.0	-43.43	284.29	3.17	-40.26
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300010781159	0	53	-1.0	-49.28	422.57	8.44	-40.84
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010781160	0	44	-1.0	-46.38	348.69	5.87	-40.51
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781161	0	38	-1.0	-42.97	316.13	5.28	-37.69
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300010781162	0	51	-1.0	-51.65	413.55	6.29	-45.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010781163	0	36	-1.0	-43.89	316.21	3.52	-40.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010781164	0	36	-1.0	-48.15	317.17	6.01	-42.14
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781165	0	32	-1.0	-47.33	284.11	4.55	-42.78
CC1=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C)S1	REAL300010781166	0	31	-1.0	-49.71	291.38	5.25	-44.46
CC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Br)=C1	REAL300010781167	0	31	-1.0	-51.61	290.64	5.75	-45.86
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=N1	REAL300010781168	0	33	-1.0	-49.85	299.55	2.74	-47.11
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1Br	REAL300010781169	0	34	-1.0	-47.31	306.57	4.81	-42.50
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C21	REAL300010781170	0	45	-1.0	-61.82	357.27	5.94	-55.88
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010781171	0	34	-1.0	-48.18	301.22	4.46	-43.72
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C21	REAL300010781172	0	42	-1.0	-61.49	347.14	5.50	-55.99
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=NN1C	REAL300010781173	0	28	-1.0	-41.08	267.55	1.82	-39.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010781174	0	30	-1.0	-40.69	281.69	3.04	-37.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010781175	0	32	-1.0	-49.14	298.70	4.28	-44.86
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010781176	0	31	-1.0	-55.90	291.17	3.46	-52.44
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1F	REAL300010781177	0	37	-1.0	-45.40	294.93	5.90	-39.50
COC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300010781178	0	36	-1.0	-51.39	296.87	3.72	-47.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010781179	0	37	-1.0	-57.51	316.43	1.04	-56.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010781180	0	29	-1.0	-48.66	289.14	4.79	-43.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010781181	0	44	-1.0	-47.79	393.79	4.84	-42.95
COC1=CC=C(F)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300010781182	0	36	-1.0	-50.53	307.11	4.21	-46.32
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781183	0	31	-1.0	-44.05	307.57	3.18	-40.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)S1	REAL300010781184	0	25	-1.0	-41.47	269.89	4.11	-37.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010781185	0	41	-1.0	-51.00	328.01	4.49	-46.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010781186	0	32	-1.0	-48.39	298.54	5.83	-42.56
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010781188	0	32	-1.0	-45.26	288.18	3.37	-41.89
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010781189	0	32	-1.0	-51.97	298.97	4.34	-47.63
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010781190	0	31	-1.0	-47.84	277.12	3.10	-44.74
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010781192	0	34	-1.0	-40.72	292.06	5.40	-35.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010781193	0	34	-1.0	-42.61	317.14	4.94	-37.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010781194	0	31	-1.0	-50.74	273.98	3.92	-46.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010781195	0	38	-1.0	-51.07	311.44	4.01	-47.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781196	0	46	-1.0	-44.43	351.29	7.35	-37.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010781197	0	34	-1.0	-49.30	319.56	5.68	-43.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010781198	0	38	-1.0	-45.89	321.54	4.50	-41.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010781199	0	39	-1.0	-42.12	334.83	6.53	-35.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010781200	0	41	-1.0	-52.25	339.23	2.27	-49.98
COC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010781201	0	37	-1.0	-65.73	313.54	5.02	-60.71
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781202	0	34	-1.0	-48.99	302.05	2.04	-46.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010781203	0	32	-1.0	-44.79	305.05	5.24	-39.55
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C=C1	REAL300010781204	0	40	-1.0	-47.05	348.23	6.76	-40.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010781205	0	37	-1.0	-44.91	336.71	6.49	-38.42
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010781206	0	33	-1.0	-45.76	299.54	3.71	-42.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010781207	0	31	-1.0	-40.00	294.57	4.94	-35.06
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010781208	0	28	-1.0	-40.49	269.44	4.09	-36.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010781209	0	28	-1.0	-46.21	279.86	3.94	-42.27
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781210	0	38	-1.0	-47.73	330.83	2.82	-44.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)O1	REAL300010781211	0	25	-1.0	-47.61	252.49	2.56	-45.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010781212	0	31	-1.0	-46.44	300.52	5.32	-41.12
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781213	0	39	-1.0	-48.52	333.51	5.83	-42.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010781214	0	39	-1.0	-51.76	315.83	6.84	-44.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010781215	0	38	-1.0	-53.83	329.17	5.48	-48.35
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010781216	0	34	-1.0	-49.54	309.69	4.81	-44.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010781217	0	33	-1.0	-40.33	300.74	4.37	-35.96
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010781218	0	35	-1.0	-58.11	301.46	2.18	-55.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781219	0	38	-1.0	-42.60	345.13	4.57	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010781220	0	28	-1.0	-41.48	271.83	4.65	-36.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010781221	0	28	-1.0	-54.59	270.17	4.07	-50.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010781222	0	31	-1.0	-42.55	278.74	5.18	-37.37
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781223	0	34	-1.0	-42.61	313.85	4.24	-38.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010781224	0	35	-1.0	-48.50	297.63	5.85	-42.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010781225	0	30	-1.0	-41.44	302.06	4.12	-37.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010781226	0	38	-1.0	-47.05	311.89	4.36	-42.69
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781227	0	37	-1.0	-52.09	318.75	1.36	-50.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010781228	0	31	-1.0	-52.31	301.62	0.39	-51.92
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781229	0	37	-1.0	-52.09	318.75	1.36	-50.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010781230	0	31	-1.0	-42.76	270.05	5.10	-37.66
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781231	0	40	-1.0	-53.03	334.41	7.70	-45.33
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010781232	0	28	-1.0	-47.78	272.47	3.12	-44.66
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781233	0	32	-1.0	-39.37	284.90	3.84	-35.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010781234	0	42	-1.0	-50.97	340.65	2.77	-48.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010781235	0	34	-1.0	-50.56	301.58	5.34	-45.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010781236	0	32	-1.0	-45.23	288.69	3.45	-41.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010781237	0	35	-1.0	-47.64	337.43	3.75	-43.89
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010781238	0	43	-1.0	-42.01	343.15	6.54	-35.47
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300010781239	0	39	-1.0	-55.20	315.65	6.03	-49.17
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010781240	0	36	-1.0	-44.80	303.51	3.93	-40.87
CCOCC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781241	0	38	-1.0	-52.48	325.30	4.43	-48.05
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781242	0	37	-1.0	-49.50	327.42	5.78	-43.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010781243	0	31	-1.0	-45.83	306.96	5.89	-39.94
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010781244	0	38	-1.0	-46.24	325.23	4.90	-41.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010781245	0	41	-1.0	-46.79	334.07	4.84	-41.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010781246	0	31	-1.0	-50.09	302.01	6.08	-44.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010781247	0	39	-1.0	-44.20	337.62	6.64	-37.56
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781248	0	40	-1.0	-50.36	332.53	6.40	-43.96
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(C)=C1Br	REAL300010781249	0	34	-1.0	-42.42	305.38	5.64	-36.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010781250	0	33	-1.0	-50.52	305.65	5.17	-45.35
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010781251	0	34	-1.0	-42.18	326.79	5.27	-36.91
CC(C(=O)[O-])N(C)S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010781252	0	40	-1.0	-54.53	332.15	1.56	-52.97
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010781253	0	32	-1.0	-44.88	299.09	5.49	-39.39
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2	REAL300010781254	0	34	-1.0	-43.37	332.78	5.11	-38.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010781255	0	28	-1.0	-48.89	278.41	4.80	-44.09
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010781256	0	30	-1.0	-48.58	284.04	2.96	-45.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010781257	0	33	-1.0	-59.81	301.11	4.84	-54.97
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010781258	0	33	-1.0	-48.72	294.64	4.59	-44.13
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010781259	0	30	-1.0	-48.58	284.04	2.96	-45.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010781260	0	31	-1.0	-45.83	306.96	5.89	-39.94
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010781261	0	37	-1.0	-48.83	300.33	6.44	-42.39
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781262	0	32	-1.0	-50.19	299.40	4.83	-45.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010781263	0	35	-1.0	-46.87	305.48	4.15	-42.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010781264	0	42	-1.0	-44.70	352.27	5.41	-39.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010781265	0	28	-1.0	-46.05	270.66	4.34	-41.71
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])O1	REAL300010781266	0	34	-1.0	-57.12	313.06	0.17	-56.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010781267	0	38	-1.0	-59.13	324.31	4.96	-54.17
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010781268	0	34	-1.0	-53.35	320.05	1.30	-52.05
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010781269	0	32	-1.0	-50.58	301.70	5.64	-44.94
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010781270	0	32	-1.0	-43.75	300.74	5.66	-38.09
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010781271	0	30	-1.0	-45.90	278.50	3.25	-42.65
CC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010781272	0	37	-1.0	-52.76	324.98	2.77	-49.99
CC(C(=O)[O-])N(C)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010781273	0	45	-1.0	-42.43	325.97	6.68	-35.75
CC(C(=O)[O-])N(C)S(=O)(=O)CCCCS(C)(=O)=O	REAL300010781274	0	36	-1.0	-64.12	318.89	0.64	-63.48
CCOC(=O)C1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2C=CC=CN12	REAL300010781275	0	40	-1.0	-57.50	350.59	5.63	-51.87
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010781276	0	32	-1.0	-46.93	297.46	2.93	-44.00
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2C=C1	REAL300010781277	0	37	-1.0	-50.46	330.85	5.77	-44.69
CC(C(=O)[O-])N(C)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010781278	0	38	-1.0	-44.03	330.91	6.66	-37.37
COC(=O)C1CCCCN1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781279	0	39	-1.0	-44.19	308.33	4.53	-39.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010781280	0	50	-1.0	-50.47	377.69	7.99	-42.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010781281	0	31	-1.0	-49.40	293.56	4.63	-44.77
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781282	0	39	-1.0	-44.78	325.10	4.90	-39.88
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=NN1	REAL300010781283	0	34	-1.0	-49.85	308.81	1.71	-48.14
COC1=CSC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300010781284	0	33	-1.0	-42.03	298.14	1.86	-40.17
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781285	0	31	-1.0	-44.03	303.49	3.07	-40.96
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010781286	0	39	-1.0	-44.17	322.10	5.51	-38.66
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781287	0	32	-1.0	-46.28	298.18	5.08	-41.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010781288	0	32	-1.0	-46.69	290.87	4.72	-41.97
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010781289	0	32	-1.0	-52.79	286.17	3.43	-49.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010781290	0	32	-1.0	-51.57	293.60	3.47	-48.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010781291	0	31	-1.0	-40.44	274.96	5.08	-35.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010781292	0	37	-1.0	-49.26	327.37	4.34	-44.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010781293	0	25	-1.0	-38.67	272.62	3.94	-34.73
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781294	0	41	-1.0	-51.09	339.14	6.26	-44.83
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010781295	0	45	-1.0	-44.59	365.88	5.76	-38.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010781296	0	31	-1.0	-47.46	305.98	5.36	-42.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010781297	0	33	-1.0	-44.89	300.22	4.52	-40.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(I)C=CS1	REAL300010781298	0	25	-1.0	-50.14	263.68	3.83	-46.31
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010781299	0	39	-1.0	-51.90	337.07	6.58	-45.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010781300	0	34	-1.0	-50.29	282.11	5.50	-44.79
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010781301	0	33	-1.0	-53.09	302.99	2.41	-50.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010781302	0	29	-1.0	-46.90	288.46	2.75	-44.15
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781303	0	39	-1.0	-45.16	332.60	5.42	-39.74
CCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C2CC2)=N1	REAL300010781304	0	38	-1.0	-46.98	318.85	4.33	-42.65
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010781305	0	32	-1.0	-55.67	281.91	2.94	-52.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010781306	0	34	-1.0	-44.29	310.18	6.63	-37.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010781307	0	38	-1.0	-49.40	339.29	7.74	-41.66
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C(Cl)S1	REAL300010781308	0	31	-1.0	-45.08	303.39	4.70	-40.38
CCC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010781309	0	34	-1.0	-47.06	307.15	5.70	-41.36
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781310	0	41	-1.0	-44.79	334.39	5.01	-39.78
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781311	0	42	-1.0	-45.75	346.98	4.24	-41.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010781312	0	34	-1.0	-48.28	296.22	6.28	-42.00
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010781313	0	36	-1.0	-45.68	296.83	1.48	-44.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010781314	0	34	-1.0	-50.21	313.34	3.68	-46.53
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781315	0	42	-1.0	-46.22	359.57	4.56	-41.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010781316	0	43	-1.0	-44.66	349.45	4.16	-40.50
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781317	0	31	-1.0	-42.61	286.84	1.62	-40.99
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010781318	0	27	-1.0	-41.44	276.77	1.85	-39.59
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010781319	0	38	-1.0	-51.88	309.21	1.47	-50.41
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010781320	0	31	-1.0	-55.44	295.71	3.57	-51.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010781321	0	26	-1.0	-49.31	261.38	1.62	-47.69
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010781322	0	32	-1.0	-54.32	298.15	1.95	-52.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)S1	REAL300010781323	0	25	-1.0	-41.47	269.89	4.11	-37.36
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781324	0	32	-1.0	-42.60	291.55	4.32	-38.28
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010781325	0	30	-1.0	-50.64	282.85	3.11	-47.53
COC1=NC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1Cl	REAL300010781326	0	31	-1.0	-47.12	279.39	0.76	-46.36
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010781327	0	37	-1.0	-50.41	327.25	2.83	-47.58
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781328	0	35	-1.0	-54.30	303.46	2.02	-52.28
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010781329	0	32	-1.0	-41.72	311.80	5.91	-35.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010781330	0	33	-1.0	-46.01	300.97	5.78	-40.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010781331	0	27	-1.0	-52.94	268.30	2.73	-50.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010781332	0	39	-1.0	-53.27	320.77	4.21	-49.06
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CN=C12	REAL300010781333	0	36	-1.0	-47.74	297.78	4.85	-42.89
COC(=O)C1=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010781334	0	36	-1.0	-47.19	315.39	3.26	-43.93
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010781335	0	31	-1.0	-48.33	285.48	5.87	-42.46
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010781336	0	35	-1.0	-54.16	304.64	4.86	-49.30
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010781337	0	35	-1.0	-51.25	308.48	6.09	-45.16
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=C1NCCC2	REAL300010781338	0	40	-1.0	-46.07	316.80	4.71	-41.36
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010781339	0	42	-1.0	-49.43	357.41	7.47	-41.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010781340	0	35	-1.0	-44.85	310.45	6.03	-38.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1Br	REAL300010781341	0	25	-1.0	-43.53	247.14	3.14	-40.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010781342	0	32	-1.0	-48.99	294.16	4.18	-44.81
CC1=CC(Br)=NC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781343	0	30	-1.0	-38.35	267.45	2.87	-35.48
CC1=CC=C(I)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781344	0	31	-1.0	-39.75	282.11	5.34	-34.41
COC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781345	0	37	-1.0	-50.21	310.67	5.49	-44.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010781346	0	39	-1.0	-51.04	332.84	8.02	-43.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010781347	0	31	-1.0	-47.06	282.77	4.69	-42.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010781348	0	27	-1.0	-41.25	264.01	2.70	-38.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010781349	0	30	-1.0	-56.32	272.16	3.37	-52.95
CC(C(=O)[O-])N(C)S(=O)(=O)N1CC=C(Br)CC1	REAL300010781350	0	31	-1.0	-48.61	275.05	3.27	-45.34
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010781351	0	36	-1.0	-58.87	301.37	-0.51	-59.38
CC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300010781352	0	30	-1.0	-49.97	283.70	3.06	-46.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010781353	0	27	-1.0	-48.16	276.02	3.24	-44.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010781354	0	32	-1.0	-57.22	295.99	3.10	-54.12
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010781355	0	32	-1.0	-43.88	296.17	5.55	-38.33
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010781356	0	37	-1.0	-58.59	328.49	3.32	-55.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010781357	0	35	-1.0	-57.84	303.24	6.29	-51.55
COC1=CC=C(I)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781358	0	32	-1.0	-44.92	296.00	4.33	-40.59
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010781359	0	31	-1.0	-46.87	284.40	5.03	-41.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010781360	0	32	-1.0	-43.29	294.37	3.53	-39.76
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300010781361	0	51	-1.0	-45.33	420.42	9.00	-36.33
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C(F)F)=C1	REAL300010781362	0	35	-1.0	-46.62	295.20	4.34	-42.28
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(=O)OC	REAL300010781363	0	41	-1.0	-51.35	352.06	5.44	-45.91
COC(=O)C1CC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C1	REAL300010781364	0	41	-1.0	-47.71	346.91	6.37	-41.34
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781365	0	34	-1.0	-41.83	307.38	2.11	-39.72
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781366	0	34	-1.0	-44.48	311.29	5.96	-38.52
COC(=O)C1=CC=NC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781367	0	33	-1.0	-50.07	283.98	3.57	-46.50
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010781368	0	34	-1.0	-60.73	294.87	5.25	-55.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1I	REAL300010781369	0	28	-1.0	-51.73	263.32	4.73	-47.00
COC1=CC=C(I)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781370	0	32	-1.0	-44.92	296.00	4.33	-40.59
COC(=O)C1=NC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C=C1	REAL300010781371	0	39	-1.0	-44.84	344.30	4.90	-39.94
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300010781372	0	36	-1.0	-53.65	299.85	5.47	-48.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=NS1	REAL300010781373	0	24	-1.0	-39.55	251.68	2.28	-37.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010781374	0	30	-1.0	-42.55	285.81	2.37	-40.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010781375	0	35	-1.0	-48.70	316.77	4.72	-43.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781376	0	41	-1.0	-46.89	332.91	5.97	-40.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010781377	1	33	-1.0	-56.07	297.51	2.90	-53.17
CC(C)[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010781378	0	37	-1.0	-44.67	321.36	6.28	-38.39
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010781379	0	31	-1.0	-41.55	290.16	4.13	-37.42
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010781380	0	31	-1.0	-42.64	287.58	4.33	-38.31
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781381	0	43	-1.0	-45.25	334.38	6.28	-38.97
COC(=O)CC1(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781382	0	40	-1.0	-48.83	337.59	4.04	-44.79
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781383	0	37	-1.0	-48.92	312.13	4.98	-43.94
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781384	0	40	-1.0	-43.42	350.29	5.21	-38.21
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010781385	0	31	-1.0	-51.37	296.96	4.54	-46.83
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781386	0	37	-1.0	-46.32	324.88	4.29	-42.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010781387	0	43	-1.0	-44.95	349.85	5.95	-39.00
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781388	0	43	-1.0	-42.14	348.03	6.13	-36.01
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781389	0	48	-1.0	-49.65	410.42	3.33	-46.32
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010781390	0	42	-1.0	-49.84	369.97	1.58	-48.26
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010781391	0	35	-1.0	-44.70	309.39	0.44	-44.26
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781392	0	41	-1.0	-47.72	355.86	2.63	-45.09
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010781393	0	33	-1.0	-46.83	309.76	4.70	-42.13
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010781394	0	31	-1.0	-43.47	289.04	4.72	-38.75
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010781395	0	31	-1.0	-49.51	303.73	4.67	-44.84
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010781396	0	35	-1.0	-44.97	323.56	3.59	-41.38
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781397	0	42	-1.0	-50.38	337.08	2.37	-48.01
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010781398	0	31	-1.0	-45.76	278.22	3.41	-42.35
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010781399	0	31	-1.0	-39.70	302.33	4.54	-35.16
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781400	0	37	-1.0	-38.88	346.65	5.53	-33.35
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(C(=O)OC)=C1	REAL300010781401	0	43	-1.0	-45.70	378.87	4.85	-40.85
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781402	0	43	-1.0	-48.04	366.22	5.64	-42.40
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010781403	0	31	-1.0	-43.54	278.55	3.67	-39.87
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010781404	0	34	-1.0	-39.49	304.98	5.45	-34.04
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010781405	0	34	-1.0	-40.07	305.36	4.64	-35.43
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1NC(C)=O	REAL300010781406	0	42	-1.0	-54.32	358.55	1.93	-52.39
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010781407	0	35	-1.0	-39.84	317.62	3.41	-36.43
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300010781408	0	46	-1.0	-46.55	343.56	6.65	-39.90
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010781409	0	40	-1.0	-47.27	332.18	3.48	-43.79
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781410	0	36	-1.0	-44.77	313.56	4.73	-40.04
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010781411	0	28	-1.0	-38.61	282.96	3.28	-35.33
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010781412	0	37	-1.0	-41.23	327.91	6.01	-35.22
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781413	0	35	-1.0	-40.35	302.04	4.11	-36.24
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781414	0	49	-1.0	-45.00	376.04	7.47	-37.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010781415	0	47	-1.0	-42.38	371.23	7.35	-35.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010781416	0	34	-1.0	-39.34	310.37	4.62	-34.72
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010781417	0	41	-1.0	-46.06	336.36	6.11	-39.95
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781418	0	39	-1.0	-44.11	308.43	2.88	-41.23
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010781419	0	39	-1.0	-47.31	332.37	2.81	-44.50
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010781420	0	41	-1.0	-42.62	368.88	3.21	-39.41
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781421	0	38	-1.0	-45.62	340.48	1.63	-43.99
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010781422	0	39	-1.0	-46.11	328.03	6.01	-40.10
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781423	0	41	-1.0	-56.55	341.05	3.30	-53.25
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010781424	0	28	-1.0	-49.88	293.86	3.63	-46.25
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781425	0	46	-1.0	-41.76	372.81	7.05	-34.71
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010781426	0	37	-1.0	-47.96	314.28	5.96	-42.00
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010781427	0	41	-1.0	-46.44	343.06	6.92	-39.52
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010781428	0	34	-1.0	-48.35	320.27	5.02	-43.33
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010781429	0	31	-1.0	-38.69	304.99	5.25	-33.44
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781430	0	46	-1.0	-44.70	359.31	6.30	-38.40
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781431	0	34	-1.0	-40.85	301.35	4.56	-36.29
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010781432	0	31	-1.0	-37.34	290.63	3.80	-33.54
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010781433	1	31	-1.0	-39.55	293.66	3.95	-35.60
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010781434	0	34	-1.0	-41.44	300.59	4.15	-37.29
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010781435	0	31	-1.0	-38.87	289.02	3.89	-34.98
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010781436	0	31	-1.0	-39.13	279.26	3.39	-35.74
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781437	0	34	-1.0	-38.87	313.66	4.60	-34.27
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010781438	0	36	-1.0	-49.25	295.25	4.64	-44.61
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010781439	0	34	-1.0	-39.31	298.44	5.06	-34.25
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010781440	0	42	-1.0	-48.74	379.14	7.00	-41.74
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010781441	0	31	-1.0	-46.58	278.32	3.73	-42.85
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010781442	0	31	-1.0	-39.91	291.98	4.34	-35.57
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781443	0	37	-1.0	-39.43	307.20	4.25	-35.18
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300010781444	0	35	-1.0	-43.69	305.08	2.92	-40.77
CC(C)[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010781445	1	31	-1.0	-41.41	283.41	3.84	-37.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010781446	0	31	-1.0	-41.52	300.65	4.29	-37.23
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300010781447	0	46	-1.0	-45.09	387.07	5.65	-39.44
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781448	0	38	-1.0	-44.58	336.05	2.97	-41.61
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010781449	0	47	-1.0	-48.98	382.80	6.89	-42.09
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010781450	0	34	-1.0	-44.21	307.72	5.30	-38.91
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010781451	0	34	-1.0	-38.60	319.07	5.10	-33.50
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010781452	0	41	-1.0	-45.88	335.38	5.10	-40.78
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010781453	0	38	-1.0	-43.94	319.48	0.96	-42.98
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010781454	0	39	-1.0	-47.72	335.47	0.99	-46.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781455	0	36	-1.0	-38.96	309.16	5.01	-33.95
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010781456	0	38	-1.0	-61.59	318.14	2.05	-59.54
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781457	0	36	-1.0	-42.80	303.58	4.85	-37.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781458	0	37	-1.0	-41.27	340.87	4.70	-36.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010781459	0	30	-1.0	-43.60	278.98	3.08	-40.52
CC(C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010781460	0	40	-1.0	-53.40	350.91	1.66	-51.74
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010781461	0	38	-1.0	-47.47	331.37	2.55	-44.92
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C21	REAL300010781462	0	45	-1.0	-60.00	366.11	5.22	-54.78
CC(C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010781463	0	36	-1.0	-48.95	316.42	-0.49	-49.44
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300010781464	0	41	-1.0	-44.28	332.10	4.41	-39.87
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010781465	0	31	-1.0	-39.40	294.64	4.41	-34.99
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010781466	0	42	-1.0	-42.86	352.11	3.02	-39.84
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010781467	0	34	-1.0	-40.88	317.36	4.91	-35.97
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010781468	0	31	-1.0	-38.59	305.49	4.62	-33.97
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781469	0	44	-1.0	-50.60	377.33	3.41	-47.19
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781470	0	45	-1.0	-46.55	362.15	2.28	-44.27
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781471	0	39	-1.0	-41.00	326.18	5.86	-35.14
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781472	0	43	-1.0	-41.87	350.56	6.23	-35.64
COCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781473	0	41	-1.0	-44.26	345.44	4.02	-40.24
COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781474	0	43	-1.0	-41.46	339.10	0.66	-40.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781475	0	34	-1.0	-40.60	302.38	4.97	-35.63
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781476	0	47	-1.0	-42.92	380.03	5.86	-37.06
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010781477	0	45	-1.0	-44.23	368.29	5.84	-38.39
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781478	0	44	-1.0	-44.07	366.61	5.33	-38.74
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781479	0	41	-1.0	-43.85	341.73	4.53	-39.32
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781480	0	35	-1.0	-45.04	319.18	3.47	-41.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010781481	0	35	-1.0	-45.01	324.15	3.64	-41.37
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300010781482	0	38	-1.0	-45.37	318.43	3.55	-41.82
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300010781483	0	44	-1.0	-43.14	358.69	5.13	-38.01
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010781484	0	38	-1.0	-43.36	314.65	3.77	-39.59
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781485	0	42	-1.0	-44.67	353.09	3.03	-41.64
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781486	0	42	-1.0	-48.43	356.64	3.12	-45.31
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010781487	0	46	-1.0	-41.65	374.21	3.05	-38.60
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010781488	0	34	-1.0	-42.95	309.66	5.01	-37.94
CC(C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010781489	0	37	-1.0	-60.35	342.25	1.55	-58.80
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781490	0	37	-1.0	-43.95	328.29	5.51	-38.44
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010781491	0	36	-1.0	-49.15	309.84	3.90	-45.25
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781492	0	37	-1.0	-41.17	345.43	4.81	-36.36
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781493	0	35	-1.0	-45.54	310.92	4.07	-41.47
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010781494	0	32	-1.0	-42.48	282.79	3.62	-38.86
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010781495	0	35	-1.0	-41.49	330.53	4.89	-36.60
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781496	0	48	-1.0	-48.27	409.66	2.80	-45.47
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1OC	REAL300010781497	0	41	-1.0	-46.17	351.44	4.24	-41.93
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300010781498	0	40	-1.0	-44.20	339.66	4.71	-39.49
CC(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010781499	0	41	-1.0	-43.08	341.74	-0.77	-43.85
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010781500	0	40	-1.0	-49.52	338.04	3.61	-45.91
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300010781501	0	40	-1.0	-51.63	345.70	4.95	-46.68
CCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781502	0	40	-1.0	-48.53	332.13	3.52	-45.01
CC(C)CN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781503	0	40	-1.0	-51.05	323.76	5.23	-45.82
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010781504	0	43	-1.0	-45.46	316.86	5.79	-39.67
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010781505	0	44	-1.0	-51.43	372.71	6.44	-44.99
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010781506	0	39	-1.0	-50.15	335.34	2.92	-47.23
CC(C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010781508	0	38	-1.0	-51.96	330.84	4.74	-47.22
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1F	REAL300010781509	0	37	-1.0	-48.59	328.91	3.99	-44.60
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010781510	0	35	-1.0	-51.04	325.72	3.89	-47.15
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=NN1C1=CC=C(Cl)C=C1	REAL300010781511	0	41	-1.0	-43.47	361.75	5.55	-37.92
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(Br)O1	REAL300010781512	0	34	-1.0	-39.64	314.13	2.43	-37.21
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C(Br)S1	REAL300010781513	0	31	-1.0	-39.11	302.15	4.18	-34.93
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1	REAL300010781514	0	35	-1.0	-44.42	309.28	1.80	-42.62
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010781515	0	32	-1.0	-40.39	309.85	4.41	-35.98
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781516	0	39	-1.0	-47.86	317.02	6.33	-41.53
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781517	0	37	-1.0	-58.98	337.17	4.71	-54.27
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781518	0	40	-1.0	-53.23	341.50	1.87	-51.36
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010781519	0	35	-1.0	-40.08	309.42	5.26	-34.82
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010781520	0	32	-1.0	-38.78	305.58	4.35	-34.43
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781521	0	47	-1.0	-48.61	385.86	5.38	-43.23
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010781522	0	42	-1.0	-51.94	353.93	3.43	-48.51
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010781523	0	43	-1.0	-48.98	377.90	1.36	-47.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781524	0	39	-1.0	-47.39	345.96	-0.29	-47.68
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781525	0	41	-1.0	-47.78	365.45	2.49	-45.29
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)O1	REAL300010781526	0	34	-1.0	-45.07	311.16	2.42	-42.65
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781527	0	37	-1.0	-46.35	331.53	3.08	-43.27
CC(C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781528	1	33	-1.0	-47.37	290.58	5.13	-42.24
CC(C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010781529	0	34	-1.0	-39.51	324.64	5.21	-34.30
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(C)N1	REAL300010781530	0	44	-1.0	-46.06	361.60	4.12	-41.94
CC(C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010781531	0	31	-1.0	-45.52	288.15	4.43	-41.09
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S2)=CS1	REAL300010781532	0	37	-1.0	-46.70	348.33	4.07	-42.63
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010781533	0	51	-1.0	-43.99	403.47	7.13	-36.86
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010781534	0	41	-1.0	-45.14	366.61	3.12	-42.02
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010781535	0	31	-1.0	-41.31	296.65	4.61	-36.70
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781536	0	40	-1.0	-45.43	335.96	5.02	-40.41
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781537	0	33	-1.0	-44.98	303.04	5.50	-39.48
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010781538	0	39	-1.0	-45.22	318.32	2.34	-42.88
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010781539	0	42	-1.0	-43.33	339.76	3.53	-39.80
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781540	1	33	-1.0	-39.76	317.80	6.21	-33.55
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010781541	0	34	-1.0	-51.66	304.69	4.32	-47.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010781542	0	32	-1.0	-39.63	290.58	3.71	-35.92
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010781543	0	32	-1.0	-42.02	308.25	4.42	-37.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010781544	0	37	-1.0	-44.35	340.95	4.89	-39.46
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010781545	0	34	-1.0	-40.81	305.38	4.65	-36.16
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010781546	0	35	-1.0	-39.47	314.24	0.91	-38.56
COC(=O)CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300010781547	0	37	-1.0	-49.98	325.25	2.24	-47.74
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010781548	0	37	-1.0	-42.24	318.00	6.09	-36.15
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010781549	0	36	-1.0	-38.36	316.59	5.60	-32.76
CC1=C(Br)SC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781550	0	31	-1.0	-41.52	302.07	3.83	-37.69
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781551	0	36	-1.0	-38.50	327.95	5.16	-33.34
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(F)=C1F	REAL300010781552	0	37	-1.0	-40.44	331.49	4.20	-36.24
CC(C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010781553	0	49	-1.0	-41.61	358.80	5.30	-36.31
CC1=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300010781554	0	39	-1.0	-49.83	312.75	5.09	-44.74
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010781555	0	42	-1.0	-46.50	346.03	2.06	-44.44
CC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1Br	REAL300010781556	0	34	-1.0	-43.37	305.83	4.90	-38.47
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781557	0	37	-1.0	-46.35	327.42	5.12	-41.23
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010781558	0	39	-1.0	-44.11	331.67	1.36	-42.75
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010781559	0	37	-1.0	-42.81	324.41	4.25	-38.56
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781560	0	37	-1.0	-40.32	319.99	5.36	-34.96
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300010781561	0	38	-1.0	-45.43	327.86	1.15	-44.28
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010781562	0	37	-1.0	-43.64	339.93	4.64	-39.00
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010781563	0	44	-1.0	-45.96	353.85	5.96	-40.00
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781564	0	41	-1.0	-43.75	319.93	4.73	-39.02
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010781565	0	36	-1.0	-51.13	317.68	3.71	-47.42
CC(C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010781566	0	38	-1.0	-46.49	329.92	4.66	-41.83
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010781567	0	45	-1.0	-49.82	391.85	5.69	-44.13
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781568	0	33	-1.0	-41.79	310.28	4.58	-37.21
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010781569	0	32	-1.0	-48.64	295.95	3.96	-44.68
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781570	0	45	-1.0	-45.55	375.72	3.97	-41.58
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781571	0	47	-1.0	-43.70	384.73	6.09	-37.61
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781572	0	33	-1.0	-45.69	300.98	5.69	-40.00
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010781573	0	37	-1.0	-42.48	328.69	4.22	-38.26
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300010781574	0	37	-1.0	-38.38	342.95	4.98	-33.40
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781575	0	41	-1.0	-44.30	338.39	4.35	-39.95
COC(=O)C1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781576	0	34	-1.0	-42.81	319.67	3.29	-39.52
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781577	0	43	-1.0	-45.90	353.73	5.57	-40.33
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300010781578	0	40	-1.0	-44.06	344.48	4.80	-39.26
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781579	0	37	-1.0	-45.49	321.33	3.92	-41.57
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010781580	0	41	-1.0	-43.14	319.69	5.99	-37.15
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010781581	0	37	-1.0	-45.65	315.24	5.31	-40.34
CC(C)[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010781582	0	30	-1.0	-40.94	289.98	2.42	-38.52
CC(C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010781583	0	35	-1.0	-40.47	328.02	5.08	-35.39
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010781584	0	45	-1.0	-44.46	389.83	1.97	-42.49
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010781585	0	31	-1.0	-38.95	292.89	4.12	-34.83
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010781586	0	38	-1.0	-60.24	333.96	1.41	-58.83
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781587	0	34	-1.0	-41.36	304.79	5.00	-36.36
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010781588	0	35	-1.0	-40.69	319.28	3.51	-37.18
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010781589	0	42	-1.0	-44.48	346.79	4.81	-39.67
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010781590	0	39	-1.0	-48.16	352.61	0.40	-47.76
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1OC	REAL300010781591	0	48	-1.0	-48.40	400.27	2.70	-45.70
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781592	0	35	-1.0	-43.06	317.72	3.65	-39.41
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781593	0	40	-1.0	-56.65	355.82	2.05	-54.60
CC(C)[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010781594	0	33	-1.0	-40.00	317.48	3.45	-36.55
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781595	0	36	-1.0	-64.12	324.22	4.51	-59.61
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010781596	0	32	-1.0	-38.96	315.77	4.62	-34.34
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010781597	0	38	-1.0	-44.76	345.41	4.51	-40.25
CC(C)[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010781598	0	36	-1.0	-41.27	316.56	-1.07	-42.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010781599	0	45	-1.0	-44.88	382.35	5.49	-39.39
COC(=O)CC1(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781600	0	40	-1.0	-48.83	337.59	4.04	-44.79
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781601	0	36	-1.0	-44.76	321.36	3.53	-41.23
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010781602	0	39	-1.0	-53.66	331.09	4.73	-48.93
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781603	0	47	-1.0	-54.11	404.57	2.20	-51.91
CC(C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010781604	0	37	-1.0	-42.97	310.37	-0.15	-43.12
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010781605	0	41	-1.0	-44.78	349.60	4.45	-40.33
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010781606	0	36	-1.0	-44.27	321.91	3.80	-40.47
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010781607	0	41	-1.0	-43.34	332.18	4.57	-38.77
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781608	0	39	-1.0	-49.90	345.96	-0.29	-50.19
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781609	0	40	-1.0	-46.95	340.57	5.68	-41.27
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010781610	0	35	-1.0	-43.24	288.05	3.66	-39.58
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781611	0	35	-1.0	-43.79	309.09	4.53	-39.26
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781612	0	43	-1.0	-43.16	371.79	6.00	-37.16
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010781613	0	37	-1.0	-45.32	334.85	3.50	-41.82
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781614	0	37	-1.0	-43.05	329.92	5.19	-37.86
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781615	0	42	-1.0	-40.62	340.17	5.37	-35.25
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010781616	0	30	-1.0	-40.51	287.74	2.46	-38.05
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010781617	0	37	-1.0	-47.76	315.43	3.26	-44.50
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010781618	0	36	-1.0	-44.63	302.27	3.85	-40.78
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781619	0	34	-1.0	-40.52	306.94	5.08	-35.44
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010781620	0	39	-1.0	-41.97	325.70	2.65	-39.32
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010781621	0	47	-1.0	-47.55	384.02	4.44	-43.11
COC1=CC(Br)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010781622	0	39	-1.0	-43.99	347.85	3.55	-40.44
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OCC	REAL300010781623	0	45	-1.0	-47.77	376.08	4.66	-43.11
CC(C)[C@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010781624	0	37	-1.0	-50.87	315.45	2.54	-48.33
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010781625	0	36	-1.0	-49.84	323.13	-1.54	-51.38
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010781626	0	42	-1.0	-52.99	349.43	4.73	-48.26
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010781627	0	45	-1.0	-53.78	362.29	5.16	-48.62
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781628	0	39	-1.0	-41.72	331.63	5.72	-36.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781629	0	37	-1.0	-42.27	326.40	4.29	-37.98
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010781630	0	42	-1.0	-53.55	354.23	4.73	-48.82
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781631	0	38	-1.0	-45.37	324.55	1.82	-43.55
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010781632	0	35	-1.0	-44.70	306.14	0.40	-44.30
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2CC1C	REAL300010781633	0	45	-1.0	-53.72	363.93	5.13	-48.59
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=CS1	REAL300010781634	0	34	-1.0	-46.59	307.67	3.87	-42.72
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781635	0	34	-1.0	-40.67	317.22	3.33	-37.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781636	0	35	-1.0	-39.09	322.51	4.65	-34.44
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781637	0	37	-1.0	-53.68	322.28	2.36	-51.32
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010781638	0	37	-1.0	-44.82	330.20	0.60	-44.22
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010781639	0	37	-1.0	-45.57	324.38	0.85	-44.72
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010781640	0	37	-1.0	-53.62	332.18	1.25	-52.37
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C2N=C1	REAL300010781641	0	39	-1.0	-50.11	313.26	5.21	-44.90
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300010781642	0	37	-1.0	-48.10	311.14	4.24	-43.86
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781643	0	35	-1.0	-40.48	301.00	4.08	-36.40
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010781644	0	35	-1.0	-42.08	293.68	3.69	-38.39
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010781645	0	36	-1.0	-52.85	327.84	-1.42	-54.27
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781646	0	37	-1.0	-44.31	324.14	4.19	-40.12
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010781647	0	43	-1.0	-49.67	377.88	1.36	-48.31
CC(C)[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010781648	0	36	-1.0	-38.32	315.52	4.80	-33.52
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(Cl)=C1	REAL300010781649	0	34	-1.0	-43.84	307.70	4.84	-39.00
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010781650	0	37	-1.0	-44.17	324.38	-0.10	-44.27
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010781651	0	37	-1.0	-54.26	334.36	1.13	-53.13
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010781652	0	38	-1.0	-42.64	339.27	2.89	-39.75
CC(C)[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010781653	0	39	-1.0	-44.60	332.09	4.95	-39.65
CC(C)[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010781654	0	40	-1.0	-43.70	325.59	4.85	-38.85
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010781655	0	39	-1.0	-45.66	318.92	4.61	-41.05
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010781656	0	37	-1.0	-45.23	323.48	3.50	-41.73
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010781657	0	36	-1.0	-43.64	321.33	5.12	-38.52
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300010781658	0	39	-1.0	-48.22	318.90	6.08	-42.14
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C1	REAL300010781659	0	45	-1.0	-44.55	365.42	4.35	-40.20
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010781660	0	35	-1.0	-40.97	314.87	3.30	-37.67
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010781661	0	42	-1.0	-50.81	361.46	1.46	-49.35
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010781662	0	31	-1.0	-49.15	288.18	4.14	-45.01
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781663	0	33	-1.0	-42.08	299.17	5.45	-36.63
CC(C)[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010781664	0	43	-1.0	-56.05	354.80	2.86	-53.19
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010781665	0	41	-1.0	-45.69	331.75	7.32	-38.37
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781666	0	40	-1.0	-45.97	345.53	5.09	-40.88
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781667	0	45	-1.0	-42.24	356.63	3.26	-38.98
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010781668	0	31	-1.0	-40.99	290.18	4.13	-36.86
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010781669	0	33	-1.0	-40.30	301.87	4.28	-36.02
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010781670	0	37	-1.0	-47.76	319.59	5.89	-41.87
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781671	0	38	-1.0	-48.05	324.48	2.41	-45.64
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781672	0	36	-1.0	-41.54	314.15	5.14	-36.40
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781673	0	33	-1.0	-49.77	286.28	4.99	-44.78
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781674	0	38	-1.0	-40.08	323.19	4.94	-35.14
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781675	0	38	-1.0	-43.00	322.98	3.84	-39.16
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010781676	0	37	-1.0	-45.39	310.36	2.61	-42.78
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781677	0	46	-1.0	-43.56	357.45	6.68	-36.88
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010781678	0	31	-1.0	-38.54	301.27	4.52	-34.02
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010781679	0	31	-1.0	-52.11	298.51	4.60	-47.51
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781680	0	34	-1.0	-39.29	308.08	4.54	-34.75
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010781681	0	34	-1.0	-43.81	289.13	4.90	-38.91
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781682	0	34	-1.0	-39.18	317.77	4.87	-34.31
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010781683	0	34	-1.0	-51.87	320.45	5.04	-46.83
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010781684	0	31	-1.0	-39.04	288.47	4.02	-35.02
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)=CO1	REAL300010781685	0	40	-1.0	-48.55	345.26	2.59	-45.96
CC(C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010781686	0	30	-1.0	-37.42	296.46	2.63	-34.79
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781687	0	35	-1.0	-55.64	311.00	3.32	-52.32
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300010781688	0	40	-1.0	-51.69	359.53	6.03	-45.66
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781689	0	40	-1.0	-46.43	348.59	5.06	-41.37
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N2)C=C1	REAL300010781690	0	41	-1.0	-48.47	355.55	5.40	-43.07
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C21	REAL300010781691	0	42	-1.0	-62.39	354.09	4.73	-57.66
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010781692	0	32	-1.0	-48.88	307.39	4.33	-44.55
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300010781693	0	45	-1.0	-44.21	362.12	3.57	-40.64
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010781694	0	39	-1.0	-44.76	347.41	4.73	-40.03
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010781695	0	36	-1.0	-40.75	317.86	4.79	-35.96
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300010781696	0	45	-1.0	-39.70	380.76	6.07	-33.63
COC(=O)C1=COC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781697	0	34	-1.0	-45.20	305.76	2.22	-42.98
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300010781698	0	42	-1.0	-52.10	353.61	4.22	-47.88
CC(C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010781699	0	33	-1.0	-44.90	297.87	2.95	-41.95
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781700	0	41	-1.0	-55.02	341.28	3.86	-51.16
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300010781701	0	41	-1.0	-58.13	348.54	3.43	-54.70
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010781702	0	43	-1.0	-46.09	343.58	4.09	-42.00
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010781703	0	33	-1.0	-41.67	299.54	2.73	-38.94
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010781704	0	37	-1.0	-42.58	317.27	2.52	-40.06
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010781705	0	40	-1.0	-45.10	346.63	5.26	-39.84
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781706	0	39	-1.0	-46.18	328.35	2.15	-44.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010781707	0	37	-1.0	-52.39	317.15	4.86	-47.53
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1CC	REAL300010781708	0	43	-1.0	-43.91	343.02	6.02	-37.89
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781709	0	39	-1.0	-39.17	322.98	5.76	-33.41
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(C)O1	REAL300010781710	0	37	-1.0	-42.25	322.13	2.93	-39.32
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010781711	0	32	-1.0	-41.62	296.11	1.48	-40.14
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781712	0	33	-1.0	-47.30	301.19	2.35	-44.95
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300010781713	0	37	-1.0	-41.53	315.13	4.87	-36.66
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010781714	0	39	-1.0	-51.72	333.21	2.06	-49.66
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1C	REAL300010781715	0	38	-1.0	-45.80	330.52	3.64	-42.16
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010781716	0	31	-1.0	-37.67	292.49	4.13	-33.54
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781717	0	42	-1.0	-43.30	350.57	5.37	-37.93
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010781718	0	34	-1.0	-38.20	313.22	4.76	-33.44
CC(C)[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010781719	0	36	-1.0	-45.21	308.13	-0.39	-45.60
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781720	0	34	-1.0	-39.81	298.27	4.86	-34.95
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781721	0	42	-1.0	-43.25	342.53	4.29	-38.96
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1C	REAL300010781722	0	39	-1.0	-47.59	337.83	1.26	-46.33
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010781723	0	41	-1.0	-44.79	329.62	4.47	-40.32
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010781724	0	39	-1.0	-57.12	340.70	3.23	-53.89
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781725	0	40	-1.0	-43.49	350.88	4.96	-38.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010781726	0	42	-1.0	-45.56	349.16	3.76	-41.80
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781727	0	40	-1.0	-47.72	344.48	4.85	-42.87
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)O1	REAL300010781728	0	37	-1.0	-46.87	335.04	3.34	-43.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010781729	0	42	-1.0	-48.53	357.87	7.73	-40.80
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781730	0	41	-1.0	-47.28	359.51	4.53	-42.75
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781731	0	44	-1.0	-47.87	380.47	4.68	-43.19
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300010781732	0	41	-1.0	-43.84	335.60	4.49	-39.35
CC(C)[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010781733	0	35	-1.0	-52.09	307.23	3.89	-48.20
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010781734	0	34	-1.0	-44.37	309.99	5.69	-38.68
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781735	0	33	-1.0	-43.70	306.47	5.64	-38.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781736	0	36	-1.0	-47.61	303.45	6.06	-41.55
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010781737	0	33	-1.0	-38.47	316.49	5.01	-33.46
CC(C)[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010781738	0	28	-1.0	-36.52	268.41	2.70	-33.82
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010781739	0	35	-1.0	-41.09	302.58	3.76	-37.33
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300010781740	0	39	-1.0	-47.70	314.34	4.69	-43.01
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010781741	0	33	-1.0	-40.39	302.89	2.84	-37.55
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010781742	0	39	-1.0	-48.08	326.37	2.45	-45.63
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010781743	0	36	-1.0	-47.90	309.62	4.18	-43.72
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010781744	0	30	-1.0	-40.51	298.09	2.80	-37.71
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010781745	0	33	-1.0	-41.97	293.76	3.95	-38.02
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010781746	0	33	-1.0	-39.05	318.06	4.74	-34.31
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781747	0	40	-1.0	-52.59	349.04	2.31	-50.28
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010781748	0	36	-1.0	-54.14	319.01	4.38	-49.76
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781749	0	33	-1.0	-47.95	297.84	5.25	-42.70
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781750	0	33	-1.0	-38.32	303.98	4.28	-34.04
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010781751	0	38	-1.0	-41.87	342.55	4.30	-37.57
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781752	0	33	-1.0	-42.23	300.26	5.46	-36.77
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010781753	0	45	-1.0	-45.51	384.90	6.92	-38.59
CC(C)[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010781754	0	46	-1.0	-48.62	343.73	5.94	-42.68
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010781755	0	39	-1.0	-47.18	342.76	-0.09	-47.27
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781756	0	39	-1.0	-47.32	332.44	4.81	-42.51
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781757	0	44	-1.0	-38.40	339.43	1.88	-36.52
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300010781758	0	40	-1.0	-47.90	352.70	4.85	-43.05
CC(C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010781759	0	41	-1.0	-48.27	354.85	5.08	-43.19
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781760	0	53	-1.0	-41.87	405.33	6.44	-35.43
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781761	0	37	-1.0	-44.48	340.97	4.89	-39.59
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010781762	0	39	-1.0	-49.67	341.68	0.24	-49.43
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010781763	0	37	-1.0	-43.58	330.98	1.00	-42.58
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(F)C=C1F	REAL300010781764	0	34	-1.0	-43.26	288.83	3.93	-39.33
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781765	0	38	-1.0	-40.80	322.86	4.55	-36.25
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010781766	0	43	-1.0	-45.17	356.61	5.00	-40.17
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2F)N=C1	REAL300010781767	0	41	-1.0	-45.92	357.24	5.47	-40.45
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781768	0	38	-1.0	-45.43	349.58	3.47	-41.96
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781769	0	38	-1.0	-47.50	331.30	-1.78	-49.28
CC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300010781770	0	34	-1.0	-43.01	293.38	3.99	-39.02
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781771	0	36	-1.0	-54.93	325.95	5.25	-49.68
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300010781772	0	37	-1.0	-48.47	324.08	5.20	-43.27
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010781773	0	28	-1.0	-49.38	296.80	3.73	-45.65
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010781774	0	43	-1.0	-45.01	359.27	5.43	-39.58
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010781775	0	31	-1.0	-41.66	286.83	3.90	-37.76
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010781776	0	37	-1.0	-40.42	320.29	4.98	-35.44
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010781777	0	37	-1.0	-47.24	346.47	4.35	-42.89
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300010781778	0	39	-1.0	-46.33	335.20	3.24	-43.09
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781779	0	38	-1.0	-46.37	340.87	4.17	-42.20
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010781780	0	34	-1.0	-40.23	317.23	4.85	-35.38
CC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300010781781	0	35	-1.0	-47.63	308.62	0.49	-47.14
CC(C)[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010781782	0	40	-1.0	-44.76	355.19	6.47	-38.29
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010781783	0	33	-1.0	-40.39	302.89	2.84	-37.55
CC(C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010781784	0	33	-1.0	-38.76	316.49	5.01	-33.75
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781785	0	37	-1.0	-44.05	317.97	5.06	-38.99
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010781786	0	34	-1.0	-44.08	306.75	4.71	-39.37
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010781787	0	43	-1.0	-58.08	365.96	2.04	-56.04
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010781788	0	38	-1.0	-40.30	337.29	3.99	-36.31
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010781789	0	31	-1.0	-51.92	303.07	4.70	-47.22
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010781790	0	39	-1.0	-41.34	328.75	3.56	-37.78
CC(C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010781791	0	39	-1.0	-42.41	343.32	1.02	-41.39
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010781792	0	40	-1.0	-44.98	350.08	5.11	-39.87
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010781793	0	39	-1.0	-49.09	328.93	4.18	-44.91
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010781794	0	34	-1.0	-43.62	324.51	5.45	-38.17
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300010781795	0	37	-1.0	-43.33	331.24	6.23	-37.10
CC(C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010781796	0	34	-1.0	-44.53	322.39	5.39	-39.14
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010781797	0	37	-1.0	-47.65	319.86	6.44	-41.21
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010781798	0	37	-1.0	-47.01	326.26	6.35	-40.66
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C2O1	REAL300010781799	0	45	-1.0	-47.59	382.84	5.78	-41.81
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010781800	0	37	-1.0	-49.98	334.45	1.09	-48.89
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010781801	0	44	-1.0	-48.85	381.07	5.20	-43.65
CC(C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010781802	0	42	-1.0	-44.64	363.37	0.47	-44.17
CC(C)[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010781803	1	32	-1.0	-41.01	302.48	4.28	-36.73
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1N(C)C	REAL300010781804	0	42	-1.0	-42.49	343.96	4.19	-38.30
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781805	0	36	-1.0	-37.57	316.17	5.11	-32.46
CC(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010781806	0	34	-1.0	-53.74	314.73	4.33	-49.41
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781807	0	37	-1.0	-43.65	328.32	5.50	-38.15
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781808	0	43	-1.0	-46.26	348.04	4.05	-42.21
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010781809	0	37	-1.0	-54.26	330.07	1.07	-53.19
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300010781810	0	47	-1.0	-44.92	393.42	1.25	-43.67
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781811	0	45	-1.0	-39.93	365.53	4.38	-35.55
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781812	0	39	-1.0	-49.45	316.84	5.30	-44.15
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010781813	0	46	-1.0	-53.98	395.58	2.74	-51.24
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781814	0	41	-1.0	-48.56	350.31	3.32	-45.24
CC(C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010781815	0	34	-1.0	-44.42	318.01	4.81	-39.61
CC(C)[C@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781816	0	32	-1.0	-51.03	281.95	4.21	-46.82
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781817	0	40	-1.0	-52.83	340.78	5.36	-47.47
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010781818	0	31	-1.0	-52.64	287.93	4.09	-48.55
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781819	0	50	-1.0	-53.29	394.65	7.34	-45.95
CC(C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010781820	0	34	-1.0	-46.83	323.02	5.17	-41.66
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781821	0	38	-1.0	-53.38	335.77	2.81	-50.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010781822	0	39	-1.0	-43.53	326.27	4.13	-39.40
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781823	0	35	-1.0	-52.81	329.12	3.89	-48.92
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781824	0	43	-1.0	-42.40	353.56	2.45	-39.95
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CS1	REAL300010781825	0	34	-1.0	-45.61	318.91	3.30	-42.31
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781826	0	40	-1.0	-43.42	350.61	6.00	-37.42
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010781827	0	42	-1.0	-44.93	374.28	6.86	-38.07
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781828	0	40	-1.0	-47.20	335.10	4.85	-42.35
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781829	0	33	-1.0	-38.93	315.39	4.75	-34.18
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781830	0	35	-1.0	-42.48	328.03	4.29	-38.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781831	0	43	-1.0	-48.95	347.96	4.12	-44.83
CC(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781832	0	33	-1.0	-42.18	297.09	4.18	-38.00
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)=C1	REAL300010781833	0	45	-1.0	-44.58	378.21	7.05	-37.53
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781834	0	38	-1.0	-43.54	304.86	4.02	-39.52
CC(C)[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010781835	0	45	-1.0	-48.92	389.37	2.43	-46.49
CC(C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010781836	0	34	-1.0	-41.34	297.63	0.96	-40.38
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010781837	0	39	-1.0	-44.45	332.17	3.97	-40.48
CC(C)[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010781838	0	31	-1.0	-40.90	296.67	4.61	-36.29
COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300010781839	0	42	-1.0	-41.66	341.70	3.37	-38.29
COC1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300010781840	0	41	-1.0	-46.26	347.23	4.51	-41.75
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300010781841	0	40	-1.0	-45.10	360.17	4.68	-40.42
COCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781842	0	38	-1.0	-42.69	324.42	3.26	-39.43
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010781843	0	31	-1.0	-48.72	300.65	3.58	-45.14
CC(C)[C@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010781844	0	40	-1.0	-42.10	348.14	5.40	-36.70
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010781845	0	37	-1.0	-46.48	335.78	4.20	-42.28
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010781846	0	37	-1.0	-45.69	354.76	4.81	-40.88
CC(C)[C@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010781847	0	34	-1.0	-42.88	305.80	1.67	-41.21
CC1=NC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2O1	REAL300010781848	0	36	-1.0	-46.05	309.53	1.12	-44.93
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781849	0	43	-1.0	-42.31	326.01	6.72	-35.59
CC1=CC(Br)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781851	0	31	-1.0	-55.06	296.24	3.55	-51.51
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010781852	0	36	-1.0	-51.28	324.29	4.11	-47.17
CC1=C(Br)SC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300010781853	1	30	-1.0	-52.43	297.67	1.71	-50.72
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781854	0	36	-1.0	-39.54	313.58	4.89	-34.65
CC(C)[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010781855	0	35	-1.0	-44.31	321.65	2.39	-41.92
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781856	0	36	-1.0	-54.74	311.85	5.37	-49.37
CC(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781857	0	39	-1.0	-50.75	328.18	5.32	-45.43
CC(C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010781858	0	39	-1.0	-43.35	345.69	5.74	-37.61
CC1=NN2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300010781859	0	36	-1.0	-43.70	325.15	3.22	-40.48
CCCCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010781860	0	49	-1.0	-53.24	395.12	4.43	-48.81
CC(C)[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010781862	0	34	-1.0	-49.69	306.59	4.34	-45.35
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010781863	0	42	-1.0	-45.41	352.04	5.35	-40.06
CC(C)[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010781864	0	35	-1.0	-45.40	322.13	4.69	-40.71
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300010781865	0	36	-1.0	-44.11	321.92	4.83	-39.28
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781866	0	37	-1.0	-43.50	317.98	5.06	-38.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300010781867	0	46	-1.0	-45.45	377.63	1.09	-44.36
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781868	1	46	-1.0	-50.27	387.61	0.51	-49.76
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300010781869	0	45	-1.0	-46.99	395.57	2.07	-44.92
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010781870	0	45	-1.0	-49.92	374.76	4.71	-45.21
CC(C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010781871	0	34	-1.0	-58.10	305.33	3.36	-54.74
CC1=CC=C(Br)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781872	0	34	-1.0	-41.18	299.92	4.76	-36.42
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781873	0	34	-1.0	-54.05	303.19	4.74	-49.31
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010781874	0	34	-1.0	-40.19	302.34	4.30	-35.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300010781875	0	42	-1.0	-44.95	369.78	1.21	-43.74
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010781876	0	30	-1.0	-43.20	287.20	2.93	-40.27
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=CC=C12	REAL300010781877	0	42	-1.0	-44.85	351.89	4.45	-40.40
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010781878	0	34	-1.0	-38.99	323.97	5.28	-33.71
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010781879	0	39	-1.0	-46.78	326.05	1.54	-45.24
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010781880	0	31	-1.0	-37.35	295.08	4.83	-32.52
CC(C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010781881	0	30	-1.0	-38.64	294.31	2.71	-35.93
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300010781882	0	36	-1.0	-42.29	320.09	2.39	-39.90
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010781883	0	34	-1.0	-58.19	337.77	0.59	-57.60
CC(C)[C@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010781884	0	50	-1.0	-47.16	420.71	4.45	-42.71
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010781885	0	39	-1.0	-43.89	322.91	4.17	-39.72
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781886	0	41	-1.0	-43.55	340.90	4.46	-39.09
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781887	0	45	-1.0	-49.49	404.18	1.14	-48.35
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781888	0	38	-1.0	-43.24	326.70	3.35	-39.89
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010781889	0	40	-1.0	-47.02	360.91	3.47	-43.55
CC(C)[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010781890	0	42	-1.0	-58.76	349.10	10.68	-48.08
CC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010781891	0	34	-1.0	-54.11	300.47	4.61	-49.50
CC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010781892	0	36	-1.0	-39.74	326.92	4.58	-35.16
CC(C)[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010781893	0	42	-1.0	-43.55	370.87	2.40	-41.15
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300010781894	0	44	-1.0	-43.79	366.43	6.16	-37.63
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010781895	0	35	-1.0	-46.92	331.10	5.03	-41.89
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010781896	0	40	-1.0	-45.12	337.33	7.26	-37.86
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010781897	0	34	-1.0	-43.02	295.40	2.20	-40.82
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010781898	0	39	-1.0	-52.50	320.93	5.37	-47.13
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010781899	0	37	-1.0	-48.46	312.82	5.37	-43.09
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010781900	0	44	-1.0	-57.07	362.79	4.84	-52.23
CC(C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010781901	0	43	-1.0	-41.87	345.89	0.53	-41.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010781902	0	37	-1.0	-39.67	337.96	1.64	-38.03
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781903	0	40	-1.0	-43.39	356.70	5.28	-38.11
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781904	0	38	-1.0	-43.67	311.38	3.54	-40.13
CCC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300010781905	0	40	-1.0	-43.42	347.00	3.84	-39.58
CC(C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010781906	0	48	-1.0	-61.30	381.87	5.28	-56.02
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781907	0	44	-1.0	-45.29	378.82	5.15	-40.14
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010781908	0	32	-1.0	-50.29	302.53	4.48	-45.81
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781909	0	35	-1.0	-38.12	310.67	4.37	-33.75
CC(C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010781910	0	38	-1.0	-57.35	313.89	4.15	-53.20
CC(C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010781911	0	36	-1.0	-47.92	319.34	3.62	-44.30
CC(C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010781912	0	51	-1.0	-44.24	385.08	5.08	-39.16
CC(C)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010781913	0	45	-1.0	-40.15	361.78	3.66	-36.49
CC(C)[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010781914	0	42	-1.0	-42.55	365.48	4.31	-38.24
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300010781915	0	37	-1.0	-42.19	318.39	1.18	-41.01
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010781916	0	33	-1.0	-40.11	304.07	2.79	-37.32
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)SC=N1	REAL300010781917	1	33	-1.0	-47.20	303.67	1.87	-45.33
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781918	0	37	-1.0	-41.37	330.55	4.26	-37.11
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783001	0	38	-1.0	-39.82	325.03	5.51	-34.31
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010783002	0	48	-1.0	-52.20	393.82	4.58	-47.62
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010783003	0	42	-1.0	-45.35	368.78	5.49	-39.86
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010783004	0	39	-1.0	-40.58	339.33	5.56	-35.02
COC(=O)C1=COC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783005	0	37	-1.0	-45.67	332.68	3.11	-42.56
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300010783006	0	45	-1.0	-54.39	382.74	5.12	-49.27
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010783007	0	36	-1.0	-46.63	326.99	3.86	-42.77
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783008	0	44	-1.0	-54.97	362.32	4.61	-50.36
COC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC=C1	REAL300010783009	0	35	-1.0	-43.68	304.40	2.28	-41.40
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1C	REAL300010783010	0	44	-1.0	-57.96	369.59	4.16	-53.80
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010783011	0	46	-1.0	-47.07	369.22	4.92	-42.15
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN=C1Cl	REAL300010783012	0	36	-1.0	-41.71	325.65	3.59	-38.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010783013	0	40	-1.0	-44.20	346.38	3.43	-40.77
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010783014	0	43	-1.0	-45.08	368.00	6.03	-39.05
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1C#N	REAL300010783015	0	38	-1.0	-45.62	326.77	4.96	-40.66
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783016	0	42	-1.0	-48.59	353.99	2.98	-45.61
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010783017	0	40	-1.0	-51.91	342.92	5.75	-46.16
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1CC	REAL300010783018	0	46	-1.0	-44.69	369.86	6.92	-37.77
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783019	0	42	-1.0	-39.50	346.17	6.46	-33.04
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C)O1	REAL300010783020	0	40	-1.0	-43.93	352.62	3.88	-40.05
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010783021	0	35	-1.0	-41.67	317.19	2.23	-39.44
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783022	0	36	-1.0	-46.37	321.87	3.01	-43.36
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC(C)=C1F	REAL300010783023	0	40	-1.0	-42.39	342.04	5.73	-36.66
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010783024	0	42	-1.0	-51.67	354.58	2.81	-48.86
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010783025	0	41	-1.0	-47.67	356.16	4.45	-43.22
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010783026	0	34	-1.0	-39.13	317.79	4.99	-34.14
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010783027	0	33	-1.0	-40.80	306.40	3.08	-37.72
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010783028	0	45	-1.0	-43.53	377.27	6.25	-37.28
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010783029	0	37	-1.0	-40.35	339.93	5.60	-34.75
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010783030	0	39	-1.0	-45.82	336.60	0.54	-45.28
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783031	0	37	-1.0	-40.14	324.38	5.72	-34.42
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783032	0	45	-1.0	-45.41	370.60	5.16	-40.25
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010783033	0	42	-1.0	-46.99	358.88	2.01	-44.98
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010783034	0	44	-1.0	-44.88	352.15	5.30	-39.58
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010783035	0	42	-1.0	-45.16	367.95	4.15	-41.01
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783036	0	43	-1.0	-42.74	371.00	5.71	-37.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010783037	0	45	-1.0	-45.51	370.49	4.51	-41.00
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783038	0	43	-1.0	-48.84	372.05	5.67	-43.17
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783039	0	40	-1.0	-46.83	356.41	4.07	-42.76
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010783040	0	45	-1.0	-47.70	378.87	8.52	-39.18
COC(=O)COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783041	0	44	-1.0	-46.67	380.50	5.32	-41.35
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783042	0	47	-1.0	-46.97	401.45	5.45	-41.52
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783043	0	44	-1.0	-44.04	356.42	5.22	-38.82
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010783044	0	38	-1.0	-47.36	333.01	4.76	-42.60
CCOC(=O)CCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783045	0	42	-1.0	-42.56	356.24	4.53	-38.03
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783046	0	37	-1.0	-42.99	328.75	6.39	-36.60
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783047	0	36	-1.0	-45.01	333.04	6.46	-38.55
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783048	0	39	-1.0	-48.17	322.00	6.51	-41.66
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010783049	0	36	-1.0	-39.77	337.48	5.84	-33.93
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010783050	0	31	-1.0	-37.05	294.67	3.57	-33.48
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010783051	0	38	-1.0	-42.92	329.78	4.68	-38.24
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010783052	0	42	-1.0	-47.96	340.46	5.52	-42.44
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010783053	0	36	-1.0	-40.48	329.04	3.69	-36.79
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010783054	0	42	-1.0	-48.13	347.73	3.21	-44.92
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010783055	0	39	-1.0	-46.40	325.76	4.73	-41.67
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010783056	0	33	-1.0	-40.83	324.63	3.68	-37.15
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010783057	0	36	-1.0	-42.61	316.79	4.75	-37.86
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010783058	0	36	-1.0	-40.23	339.40	5.50	-34.73
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783059	0	43	-1.0	-52.64	370.40	3.04	-49.60
CCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010783060	0	39	-1.0	-52.75	345.19	5.26	-47.49
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783061	0	36	-1.0	-48.63	323.16	6.14	-42.49
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783062	0	36	-1.0	-39.90	329.27	5.12	-34.78
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010783063	0	41	-1.0	-43.08	365.91	5.05	-38.03
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783064	0	36	-1.0	-42.98	327.10	6.32	-36.66
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010783065	0	48	-1.0	-45.54	406.25	7.65	-37.89
CC(C)C[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010783066	0	49	-1.0	-50.18	369.31	6.77	-43.41
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010783067	0	42	-1.0	-47.87	365.71	0.70	-47.17
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783068	0	42	-1.0	-49.33	358.09	5.66	-43.67
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783069	0	47	-1.0	-39.69	367.89	2.79	-36.90
COC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010783070	0	43	-1.0	-47.84	374.05	5.59	-42.25
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010783071	0	44	-1.0	-48.39	380.97	5.92	-42.47
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783072	0	56	-1.0	-42.68	425.48	7.26	-35.42
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010783073	0	42	-1.0	-50.82	368.58	1.08	-49.74
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010783074	0	37	-1.0	-42.16	320.25	5.05	-37.11
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010783075	0	40	-1.0	-44.66	359.74	1.92	-42.74
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1F	REAL300010783076	0	37	-1.0	-43.70	315.38	4.79	-38.91
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783077	0	41	-1.0	-41.82	346.29	5.35	-36.47
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010783078	0	46	-1.0	-47.03	385.72	5.91	-41.12
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2F)N=C1	REAL300010783079	0	44	-1.0	-47.67	379.61	6.40	-41.27
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783080	0	41	-1.0	-41.34	360.22	3.09	-38.25
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783081	0	41	-1.0	-47.49	357.42	-0.93	-48.42
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783082	0	37	-1.0	-42.38	313.25	4.72	-37.66
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783083	0	39	-1.0	-40.34	349.44	6.08	-34.26
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010783084	0	40	-1.0	-48.46	345.44	5.99	-42.47
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010783085	0	31	-1.0	-49.42	319.14	4.49	-44.93
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010783086	0	46	-1.0	-47.82	388.68	6.34	-41.48
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010783087	0	34	-1.0	-50.01	294.33	4.07	-45.94
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010783088	0	34	-1.0	-42.62	309.26	4.62	-38.00
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300010783089	0	40	-1.0	-42.06	349.42	5.88	-36.18
CC(C)C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010783090	0	40	-1.0	-48.25	354.75	5.34	-42.91
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C12	REAL300010783091	0	42	-1.0	-45.41	359.12	4.08	-41.33
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783092	0	41	-1.0	-45.29	358.95	4.89	-40.40
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010783093	0	37	-1.0	-42.13	340.61	5.64	-36.49
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C12	REAL300010783094	0	38	-1.0	-47.46	334.75	1.34	-46.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010783095	0	43	-1.0	-44.75	376.55	7.20	-37.55
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010783096	0	36	-1.0	-40.48	329.04	3.69	-36.79
CC(C)C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010783097	0	36	-1.0	-39.77	339.09	5.76	-34.01
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783098	0	40	-1.0	-44.12	338.71	5.81	-38.31
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010783099	0	37	-1.0	-45.29	330.88	5.46	-39.83
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010783100	0	46	-1.0	-60.83	391.62	2.89	-57.94
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010783101	0	41	-1.0	-40.40	363.33	4.81	-35.59
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010783102	0	34	-1.0	-53.14	326.13	5.40	-47.74
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010783103	0	42	-1.0	-42.20	364.68	1.80	-40.40
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010783104	0	43	-1.0	-44.98	376.19	5.97	-39.01
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010783105	0	42	-1.0	-48.00	350.49	4.90	-43.10
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010783106	0	37	-1.0	-43.78	350.64	6.30	-37.48
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010783107	0	40	-1.0	-43.40	359.89	7.21	-36.19
CC(C)C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010783108	0	37	-1.0	-43.90	348.20	6.26	-37.64
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010783109	0	40	-1.0	-46.93	338.81	7.10	-39.83
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010783110	0	40	-1.0	-45.76	347.45	7.07	-38.69
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C2O1	REAL300010783111	0	48	-1.0	-49.86	408.49	6.59	-43.27
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010783112	0	40	-1.0	-50.99	357.90	1.89	-49.10
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010783113	0	47	-1.0	-47.86	399.29	5.84	-42.02
CC(C)C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010783114	0	45	-1.0	-46.32	393.57	1.36	-44.96
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010783115	1	35	-1.0	-39.75	321.64	5.02	-34.73
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1N(C)C	REAL300010783116	0	45	-1.0	-43.51	367.41	5.00	-38.51
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010783117	0	34	-1.0	-44.20	311.04	3.29	-40.91
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783118	0	39	-1.0	-39.78	347.97	6.13	-33.65
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010783119	0	34	-1.0	-50.74	315.19	3.20	-47.54
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010783120	0	37	-1.0	-49.63	332.19	4.84	-44.79
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783121	0	40	-1.0	-43.78	348.57	6.24	-37.54
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783122	0	46	-1.0	-47.21	371.12	4.82	-42.39
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010783123	0	39	-1.0	-44.33	330.57	4.26	-40.07
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010783124	0	40	-1.0	-53.66	355.35	1.92	-51.74
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783125	0	48	-1.0	-44.82	375.01	4.72	-40.10
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783126	0	42	-1.0	-50.24	339.58	6.02	-44.22
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010783127	0	37	-1.0	-59.95	319.61	3.44	-56.51
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783128	0	44	-1.0	-48.64	371.65	4.05	-44.59
CC(C)C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010783129	0	37	-1.0	-44.48	339.37	5.55	-38.93
CC(C)C[C@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783130	0	35	-1.0	-50.05	302.78	4.74	-45.31
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783131	0	43	-1.0	-51.73	358.91	6.10	-45.63
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010783132	0	34	-1.0	-53.21	310.65	4.88	-48.33
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783133	0	53	-1.0	-53.31	419.60	8.12	-45.19
CC(C)C[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010783134	0	37	-1.0	-46.81	344.38	5.94	-40.87
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783135	0	41	-1.0	-54.54	358.69	3.54	-51.00
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010783136	0	42	-1.0	-45.71	351.92	4.95	-40.76
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783137	0	38	-1.0	-41.39	353.11	4.78	-36.61
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783138	0	46	-1.0	-42.29	376.98	3.22	-39.07
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CS1	REAL300010783139	0	37	-1.0	-46.26	341.92	4.06	-42.20
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783140	0	43	-1.0	-45.09	376.74	6.87	-38.22
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010783141	0	45	-1.0	-44.95	400.44	7.73	-37.22
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1C	REAL300010783142	0	43	-1.0	-45.68	352.43	5.46	-40.22
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783143	0	36	-1.0	-40.02	344.16	5.68	-34.34
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783144	0	38	-1.0	-42.46	349.20	5.04	-37.42
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783145	0	46	-1.0	-48.56	373.73	5.00	-43.56
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783146	0	36	-1.0	-41.78	322.87	5.05	-36.73
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)=C1	REAL300010783147	0	48	-1.0	-44.90	404.78	7.93	-36.97
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783148	0	41	-1.0	-44.60	328.29	4.82	-39.78
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010783149	0	38	-1.0	-40.80	337.05	5.42	-35.38
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010783150	0	37	-1.0	-45.86	326.74	1.88	-43.98
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010783151	0	42	-1.0	-44.51	357.84	4.80	-39.71
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010783152	0	34	-1.0	-40.32	322.43	5.50	-34.82
COC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783153	0	45	-1.0	-41.62	367.51	4.22	-37.40
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783154	0	44	-1.0	-45.57	368.24	5.29	-40.28
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010783155	0	43	-1.0	-45.52	386.63	5.50	-40.02
COCC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783156	0	41	-1.0	-44.84	350.06	4.08	-40.76
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010783157	0	34	-1.0	-49.82	324.19	4.39	-45.43
CC(C)C[C@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010783158	0	43	-1.0	-43.19	372.35	6.18	-37.01
CC(C)C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010783159	0	40	-1.0	-47.44	359.17	4.97	-42.47
CC(C)C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010783160	0	40	-1.0	-45.78	364.28	5.94	-39.84
CC(C)C[C@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010783161	0	37	-1.0	-45.00	332.52	2.49	-42.51
CC1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2O1	REAL300010783162	0	39	-1.0	-48.47	338.65	2.02	-46.45
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783163	0	46	-1.0	-42.00	347.02	7.34	-34.66
CC1=CC(Br)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783165	0	34	-1.0	-38.10	316.42	4.36	-33.74
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010783166	0	39	-1.0	-51.35	345.72	4.85	-46.50
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783167	0	43	-1.0	-44.95	355.74	6.23	-38.72
CC1=C(Br)SC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300010783168	1	33	-1.0	-52.86	311.96	2.20	-50.66
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783169	0	39	-1.0	-38.52	335.25	5.62	-32.90
CC(C)C[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010783170	0	38	-1.0	-44.52	347.42	3.27	-41.25
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783171	0	39	-1.0	-52.83	335.39	6.13	-46.70
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783172	0	42	-1.0	-53.03	358.35	6.18	-46.85
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010783173	0	42	-1.0	-43.31	367.05	6.50	-36.81
CC1=NN2C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=NC2=C1Cl	REAL300010783174	0	39	-1.0	-45.06	351.25	4.11	-40.95
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783175	0	40	-1.0	-53.29	336.81	5.62	-47.67
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)NC1=O	REAL300010783176	0	52	-1.0	-53.37	421.13	5.30	-48.07
CC(C)C[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010783178	0	37	-1.0	-49.01	326.81	5.11	-43.90
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010783179	0	45	-1.0	-46.55	375.38	6.13	-40.42
CC(C)C[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010783180	0	38	-1.0	-44.63	342.37	5.46	-39.17
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010783181	0	39	-1.0	-42.50	345.85	5.67	-36.83
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783182	0	40	-1.0	-44.63	343.06	5.87	-38.76
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010783183	0	48	-1.0	-49.59	400.80	5.60	-43.99
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010783184	0	37	-1.0	-61.81	332.32	4.24	-57.57
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783185	0	37	-1.0	-43.40	332.29	5.76	-37.64
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783186	0	37	-1.0	-55.14	326.30	5.47	-49.67
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010783187	0	37	-1.0	-42.07	325.72	5.08	-36.99
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783188	0	45	-1.0	-46.57	395.06	2.05	-44.52
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010783189	0	33	-1.0	-44.64	310.58	3.67	-40.97
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010783190	0	45	-1.0	-44.93	376.51	5.25	-39.68
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010783191	0	37	-1.0	-40.54	347.44	6.06	-34.48
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010783192	0	42	-1.0	-47.38	352.72	2.42	-44.96
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783193	0	33	-1.0	-39.30	318.16	3.60	-35.70
CCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])N=C1C	REAL300010783194	0	40	-1.0	-54.18	331.61	4.88	-49.30
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300010783195	0	39	-1.0	-42.43	343.48	3.16	-39.27
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010783196	0	37	-1.0	-58.52	360.47	1.37	-57.15
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010783197	0	42	-1.0	-45.51	348.35	5.03	-40.48
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010783198	0	44	-1.0	-44.19	363.90	5.24	-38.95
CC1=C(C)SC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783199	0	37	-1.0	-43.84	326.40	4.74	-39.10
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783200	0	41	-1.0	-43.85	349.72	4.11	-39.74
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010783201	0	43	-1.0	-47.32	381.53	4.22	-43.10
CC(C)C[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010783202	0	45	-1.0	-58.57	370.97	11.42	-47.15
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010783203	0	37	-1.0	-44.32	326.56	5.50	-38.82
CC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010783204	0	39	-1.0	-41.35	351.43	5.43	-35.92
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010783205	0	45	-1.0	-44.32	399.37	3.36	-40.96
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300010783206	0	47	-1.0	-44.76	393.35	7.00	-37.76
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010783207	0	38	-1.0	-44.44	352.43	5.77	-38.67
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010783208	0	43	-1.0	-45.65	355.79	8.44	-37.21
CC(C)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010783209	0	43	-1.0	-43.52	341.19	2.61	-40.91
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010783210	0	37	-1.0	-44.02	318.79	2.98	-41.04
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010783211	0	42	-1.0	-52.92	347.46	6.21	-46.71
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010783212	0	40	-1.0	-48.47	337.82	6.11	-42.36
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010783213	0	47	-1.0	-57.20	387.86	5.74	-51.46
CC(C)C[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010783214	0	46	-1.0	-41.87	367.26	1.27	-40.60
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010783215	0	40	-1.0	-41.14	363.25	2.49	-38.65
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783216	0	43	-1.0	-44.69	378.06	6.02	-38.67
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783217	0	41	-1.0	-44.10	337.52	4.39	-39.71
CCC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010783218	0	43	-1.0	-43.71	372.82	4.67	-39.04
CC(C)C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010783219	0	51	-1.0	-58.65	394.68	5.86	-52.79
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783220	0	47	-1.0	-45.55	404.54	5.98	-39.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010783221	0	35	-1.0	-51.03	325.49	5.18	-45.85
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783222	0	38	-1.0	-38.08	332.04	5.13	-32.95
CC(C)C[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010783223	0	41	-1.0	-57.54	335.25	4.88	-52.66
CC(C)C[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010783224	0	39	-1.0	-47.11	339.60	4.38	-42.73
CC(C)C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010783225	0	54	-1.0	-44.55	411.34	5.90	-38.65
CC(C)C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010783226	0	48	-1.0	-39.52	381.30	4.39	-35.13
CC(C)C[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010783227	0	45	-1.0	-41.03	386.35	5.04	-35.99
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783228	0	37	-1.0	-47.47	306.81	4.62	-42.85
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300010783229	0	40	-1.0	-44.45	344.03	1.98	-42.47
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010783230	0	36	-1.0	-42.54	330.50	3.71	-38.83
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010783231	1	36	-1.0	-46.59	332.58	2.20	-44.39
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783232	0	40	-1.0	-44.75	356.19	5.09	-39.66
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784001	0	40	-1.0	-40.59	342.07	2.76	-37.83
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784002	0	40	-1.0	-41.11	356.55	6.31	-34.80
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784003	0	39	-1.0	-45.40	328.28	3.89	-41.51
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784004	0	40	-1.0	-49.61	345.75	5.86	-43.75
CC(C)C[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010784005	0	39	-1.0	-46.43	329.16	4.86	-41.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010784006	0	34	-1.0	-40.44	309.67	5.44	-35.00
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784007	0	40	-1.0	-51.06	339.07	3.66	-47.40
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010784008	0	45	-1.0	-44.75	391.27	5.39	-39.36
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=NC=CC=C12	REAL300010784009	0	42	-1.0	-51.01	336.58	5.99	-45.02
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010784010	1	30	-1.0	-38.42	296.68	2.75	-35.67
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC(C)=N1	REAL300010784011	0	39	-1.0	-44.50	333.40	3.81	-40.69
CC(C)C[C@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010784012	0	36	-1.0	-42.27	304.84	2.77	-39.50
CC(C)C[C@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010784013	0	36	-1.0	-42.44	331.02	2.90	-39.54
CC(C)C[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010784014	0	41	-1.0	-56.96	329.20	7.52	-49.44
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010784015	0	36	-1.0	-47.47	316.82	4.34	-43.13
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010784016	0	36	-1.0	-50.04	311.00	3.82	-46.22
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C(Cl)S1	REAL300010784017	0	34	-1.0	-38.14	314.24	4.59	-33.55
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010784018	0	36	-1.0	-43.39	321.14	3.31	-40.08
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010784019	0	41	-1.0	-45.59	351.86	4.73	-40.86
CC(C)C[C@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010784020	0	51	-1.0	-58.46	361.19	9.25	-49.21
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010784021	0	47	-1.0	-45.46	368.95	6.43	-39.03
CC1=CC=C(O)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010784022	0	38	-1.0	-46.63	324.29	2.78	-43.85
CC(C)C[C@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010784023	1	39	-1.0	-46.55	345.54	3.43	-43.12
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010784024	0	34	-1.0	-52.33	303.93	6.47	-45.86
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010784025	0	28	-1.0	-48.87	274.20	4.60	-44.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010784026	0	28	-1.0	-48.81	263.71	4.46	-44.35
COC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784027	0	34	-1.0	-60.60	301.34	5.86	-54.74
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784028	0	37	-1.0	-50.09	332.25	5.61	-44.48
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010784029	0	28	-1.0	-47.12	276.47	4.79	-42.33
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784030	0	34	-1.0	-46.39	308.39	4.73	-41.66
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010784031	0	44	-1.0	-53.13	383.98	1.59	-51.54
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784032	0	45	-1.0	-52.41	392.37	3.74	-48.67
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784033	0	39	-1.0	-52.89	351.94	1.98	-50.91
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784034	0	38	-1.0	-53.28	337.52	3.04	-50.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010784035	0	30	-1.0	-47.67	286.78	4.93	-42.74
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010784036	0	28	-1.0	-48.77	270.49	5.10	-43.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010784037	0	28	-1.0	-45.25	282.63	4.97	-40.28
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010784038	0	28	-1.0	-44.24	291.82	5.71	-38.53
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784039	0	32	-1.0	-50.69	302.78	3.94	-46.75
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784040	0	39	-1.0	-54.84	333.86	2.81	-52.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010784041	0	28	-1.0	-45.79	288.47	5.09	-40.70
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010784042	0	34	-1.0	-45.71	332.81	6.08	-39.63
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC(C(=O)OC)=C1	REAL300010784043	0	40	-1.0	-53.32	364.53	5.36	-47.96
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784044	0	40	-1.0	-61.21	355.55	6.40	-54.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010784045	0	31	-1.0	-48.17	298.40	5.90	-42.27
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010784046	0	31	-1.0	-45.72	292.38	5.17	-40.55
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1NC(C)=O	REAL300010784047	0	39	-1.0	-59.77	336.67	2.30	-57.47
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010784048	0	32	-1.0	-46.38	301.60	3.81	-42.57
CC1=C(C)C(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1C	REAL300010784049	0	43	-1.0	-49.58	322.85	6.88	-42.70
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010784050	0	37	-1.0	-49.31	317.82	4.00	-45.31
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784051	0	33	-1.0	-56.93	297.10	5.18	-51.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010784052	0	25	-1.0	-47.78	268.62	3.78	-44.00
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1Cl	REAL300010784053	0	34	-1.0	-45.01	304.42	6.21	-38.80
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784054	0	32	-1.0	-49.56	298.80	4.56	-45.00
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784055	0	46	-1.0	-46.81	349.32	7.60	-39.21
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010784056	0	44	-1.0	-48.64	356.85	7.88	-40.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010784057	0	31	-1.0	-47.01	294.35	5.02	-41.99
COC1=CC=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784058	0	36	-1.0	-52.48	306.97	3.23	-49.25
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784059	0	36	-1.0	-50.56	311.60	3.19	-47.37
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010784060	0	38	-1.0	-52.39	352.86	3.61	-48.78
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784061	0	35	-1.0	-53.89	329.60	2.23	-51.66
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784062	0	38	-1.0	-52.48	317.72	3.36	-49.12
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010784063	0	25	-1.0	-45.72	271.50	4.02	-41.70
CC(C)CCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784064	0	43	-1.0	-49.21	359.08	7.53	-41.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010784065	0	38	-1.0	-49.37	327.04	7.39	-41.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010784066	0	31	-1.0	-48.14	298.98	5.32	-42.82
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010784067	0	28	-1.0	-44.32	287.25	5.60	-38.72
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784068	0	43	-1.0	-47.57	343.30	6.77	-40.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010784069	0	28	-1.0	-46.63	282.30	4.63	-42.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010784070	0	31	-1.0	-49.44	294.37	4.97	-44.47
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010784071	0	28	-1.0	-43.52	282.18	4.63	-38.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010784072	0	31	-1.0	-48.34	308.38	5.47	-42.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010784073	0	31	-1.0	-48.91	297.21	5.03	-43.88
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010784074	0	31	-1.0	-48.13	288.07	5.46	-42.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010784075	0	39	-1.0	-50.77	358.36	7.37	-43.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010784076	0	28	-1.0	-45.18	270.10	4.53	-40.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784077	0	34	-1.0	-48.14	305.73	4.60	-43.54
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010784078	0	31	-1.0	-45.21	315.04	5.68	-39.53
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010784079	0	28	-1.0	-47.76	279.89	4.65	-43.11
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)C=C1	REAL300010784080	0	43	-1.0	-49.72	373.79	6.16	-43.56
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784081	0	35	-1.0	-51.65	323.03	3.50	-48.15
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010784082	0	44	-1.0	-52.52	363.09	7.39	-45.13
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1Cl	REAL300010784083	0	31	-1.0	-48.90	289.19	5.70	-43.20
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010784084	0	31	-1.0	-46.92	308.40	5.70	-41.22
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010784085	0	38	-1.0	-52.80	322.64	5.77	-47.03
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(N)=O	REAL300010784086	0	35	-1.0	-47.63	303.47	1.43	-46.20
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(N)=O	REAL300010784087	0	36	-1.0	-51.66	314.68	1.37	-50.29
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010784088	0	46	-1.0	-52.16	392.74	4.01	-48.15
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784089	0	33	-1.0	-47.49	290.01	5.20	-42.29
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784090	0	35	-1.0	-61.87	311.64	2.84	-59.03
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784091	0	33	-1.0	-48.95	292.12	5.38	-43.57
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784092	0	34	-1.0	-48.02	326.53	5.22	-42.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010784093	0	27	-1.0	-51.46	272.18	2.78	-48.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010784094	0	37	-1.0	-62.05	340.65	2.23	-59.82
CC(=O)NC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1F	REAL300010784095	0	35	-1.0	-50.80	314.89	2.99	-47.81
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C21	REAL300010784096	0	42	-1.0	-65.97	346.64	5.65	-60.32
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1C	REAL300010784097	0	38	-1.0	-48.83	307.30	4.42	-44.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010784098	0	28	-1.0	-47.72	267.38	4.37	-43.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010784099	0	39	-1.0	-50.20	338.33	3.57	-46.63
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010784100	0	31	-1.0	-50.26	299.57	5.43	-44.83
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010784101	0	28	-1.0	-46.98	289.00	5.05	-41.93
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784102	0	41	-1.0	-57.68	359.02	3.82	-53.86
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784103	0	42	-1.0	-56.11	359.41	2.94	-53.17
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784104	0	36	-1.0	-52.38	315.94	6.56	-45.82
COCCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784105	0	38	-1.0	-49.71	332.18	4.53	-45.18
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784106	0	44	-1.0	-49.16	367.53	6.35	-42.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010784107	0	42	-1.0	-48.42	349.06	6.25	-42.17
CC(C)COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784108	0	41	-1.0	-49.41	348.56	5.74	-43.67
CCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784109	0	38	-1.0	-49.43	328.46	5.04	-44.39
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784110	0	32	-1.0	-50.72	298.40	3.83	-46.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010784111	0	32	-1.0	-49.32	308.15	4.10	-45.22
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1OC(C)C	REAL300010784112	0	41	-1.0	-47.35	342.23	5.57	-41.78
COCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784113	0	39	-1.0	-52.08	340.59	3.52	-48.56
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784114	0	39	-1.0	-62.53	343.63	3.65	-58.88
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010784115	0	43	-1.0	-53.77	361.73	3.52	-50.25
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Br)=C1	REAL300010784116	0	31	-1.0	-50.73	282.40	4.97	-45.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010784117	0	34	-1.0	-58.19	320.95	1.85	-56.34
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784118	0	34	-1.0	-56.39	317.57	6.26	-50.13
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784119	0	34	-1.0	-47.94	331.10	5.33	-42.61
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784120	0	32	-1.0	-51.95	292.38	4.50	-47.45
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010784121	0	32	-1.0	-46.04	304.85	5.10	-40.94
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784122	0	45	-1.0	-52.66	393.64	3.20	-49.46
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1OC	REAL300010784123	0	38	-1.0	-53.85	334.95	4.69	-49.16
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784124	0	37	-1.0	-49.14	323.68	5.18	-43.96
CN(CCC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010784125	0	38	-1.0	-55.95	328.27	-0.27	-56.22
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010784126	0	37	-1.0	-61.75	321.55	4.05	-57.70
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010784127	0	37	-1.0	-52.12	320.66	5.23	-46.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010784128	0	41	-1.0	-55.87	357.51	7.02	-48.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010784129	0	36	-1.0	-63.86	321.48	3.47	-60.39
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1Cl	REAL300010784130	0	35	-1.0	-51.32	329.66	3.73	-47.59
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010784131	0	35	-1.0	-56.88	319.97	5.33	-51.55
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1F	REAL300010784132	0	34	-1.0	-56.06	317.51	4.68	-51.38
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300010784133	0	32	-1.0	-52.35	302.49	4.07	-48.28
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010784134	0	38	-1.0	-52.18	343.64	6.04	-46.14
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(Br)O1	REAL300010784135	0	31	-1.0	-45.17	306.93	3.20	-41.97
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C(Br)S1	REAL300010784136	0	28	-1.0	-44.79	278.03	4.33	-40.46
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010784137	0	29	-1.0	-48.65	289.09	4.79	-43.86
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CCC(=O)[O-])=C1C	REAL300010784138	0	36	-1.0	-59.80	293.61	6.77	-53.03
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784139	0	34	-1.0	-51.93	314.95	4.98	-46.95
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784140	0	37	-1.0	-56.36	322.57	2.00	-54.36
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010784141	0	32	-1.0	-50.78	303.92	5.97	-44.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010784142	0	29	-1.0	-43.94	289.11	4.79	-39.15
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784143	0	44	-1.0	-54.47	366.83	5.74	-48.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010784144	0	39	-1.0	-63.12	340.94	3.96	-59.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010784145	0	40	-1.0	-52.80	364.02	1.91	-50.89
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784146	0	36	-1.0	-53.41	332.23	0.19	-53.22
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784147	0	38	-1.0	-57.97	350.82	3.00	-54.97
COC(=O)C1=C(C)OC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784148	0	34	-1.0	-49.93	312.90	3.53	-46.40
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010784149	0	30	-1.0	-60.98	277.18	5.65	-55.33
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010784150	0	31	-1.0	-49.76	311.68	5.83	-43.93
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C(C)N1	REAL300010784151	0	41	-1.0	-54.66	345.62	4.57	-50.09
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010784152	0	28	-1.0	-48.95	268.79	4.81	-44.14
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S2)=CS1	REAL300010784153	0	34	-1.0	-50.52	334.46	4.62	-45.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010784154	0	48	-1.0	-49.36	390.19	7.64	-41.72
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010784155	0	38	-1.0	-58.46	350.14	3.56	-54.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010784156	0	28	-1.0	-48.45	280.67	5.07	-43.38
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784157	0	37	-1.0	-57.04	316.61	5.19	-51.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010784158	0	30	-1.0	-54.00	290.98	6.27	-47.73
COC1=CC(F)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784159	0	36	-1.0	-51.67	313.98	3.17	-48.50
COC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784160	0	39	-1.0	-49.05	320.40	3.67	-45.38
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010784161	0	30	-1.0	-51.60	291.97	6.06	-45.54
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010784162	0	31	-1.0	-56.48	293.98	4.96	-51.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010784163	0	29	-1.0	-46.43	282.86	4.62	-41.81
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Br)=C1	REAL300010784164	0	34	-1.0	-47.02	318.41	5.11	-41.91
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784165	0	31	-1.0	-45.19	292.38	5.18	-40.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010784166	0	32	-1.0	-47.55	298.55	1.31	-46.24
COC(=O)CN1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=N1	REAL300010784167	0	34	-1.0	-59.90	314.36	2.82	-57.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010784168	0	34	-1.0	-49.23	302.93	6.43	-42.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010784169	0	33	-1.0	-47.10	309.90	6.05	-41.05
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784170	0	37	-1.0	-47.58	352.96	6.26	-41.32
CC1=C(Br)SC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784171	0	28	-1.0	-47.94	288.22	4.38	-43.56
CC1=C(Br)C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784172	0	33	-1.0	-49.28	320.37	5.83	-43.45
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC(F)=C1F	REAL300010784173	0	34	-1.0	-47.27	320.64	4.80	-42.47
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010784174	0	46	-1.0	-47.82	342.05	5.74	-42.08
CC1=NC2=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CC=C2C=C1	REAL300010784175	0	36	-1.0	-59.09	307.62	5.59	-53.50
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010784176	0	39	-1.0	-51.36	332.17	2.59	-48.77
CC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1Br	REAL300010784177	0	31	-1.0	-50.03	288.07	5.37	-44.66
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784178	0	34	-1.0	-56.08	314.46	5.26	-50.82
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010784179	0	36	-1.0	-48.55	313.06	1.81	-46.74
COC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010784180	0	34	-1.0	-47.66	308.40	4.73	-42.93
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784181	0	34	-1.0	-51.05	300.85	5.55	-45.50
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010784182	0	34	-1.0	-45.55	323.94	5.11	-40.44
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010784183	0	41	-1.0	-52.51	344.49	6.70	-45.81
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784184	0	38	-1.0	-52.47	319.50	5.48	-46.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010784185	0	33	-1.0	-56.37	303.29	4.24	-52.13
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010784186	0	35	-1.0	-52.61	315.58	5.17	-47.44
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010784187	0	42	-1.0	-50.08	371.07	6.07	-44.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010784188	0	30	-1.0	-53.71	297.30	5.11	-48.60
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784189	0	42	-1.0	-52.11	362.44	4.48	-47.63
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784190	0	44	-1.0	-49.27	371.46	6.61	-42.66
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010784191	0	30	-1.0	-59.71	288.17	6.17	-53.54
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1F	REAL300010784192	0	34	-1.0	-46.79	312.21	4.66	-42.13
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(Cl)C=C1Cl	REAL300010784193	0	34	-1.0	-47.44	328.52	5.40	-42.04
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784194	0	38	-1.0	-53.50	332.17	4.58	-48.92
COC(=O)C1=CSC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784195	0	31	-1.0	-48.91	303.06	3.72	-45.19
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784196	0	40	-1.0	-50.38	332.91	5.63	-44.75
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1C	REAL300010784197	0	37	-1.0	-46.58	323.70	5.16	-41.42
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784198	0	34	-1.0	-52.99	310.03	4.61	-48.38
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010784199	0	34	-1.0	-53.57	301.11	5.82	-47.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010784200	0	27	-1.0	-45.18	269.25	2.78	-42.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010784201	0	32	-1.0	-46.35	312.00	5.48	-40.87
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784202	0	42	-1.0	-49.72	373.36	2.41	-47.31
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010784203	0	28	-1.0	-47.39	279.89	4.64	-42.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010784204	0	35	-1.0	-57.06	317.57	1.85	-55.21
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784205	0	31	-1.0	-47.41	287.50	5.37	-42.04
COC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010784206	0	32	-1.0	-45.98	302.80	3.95	-42.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010784207	0	39	-1.0	-49.23	332.48	5.32	-43.91
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010784208	0	36	-1.0	-51.46	331.82	0.76	-50.70
CCC(=O)NCC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1OC	REAL300010784209	0	45	-1.0	-50.96	383.79	3.14	-47.82
COC1=CC=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784210	0	32	-1.0	-50.42	290.47	3.60	-46.82
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784211	0	37	-1.0	-52.41	335.05	2.40	-50.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010784212	0	30	-1.0	-46.08	301.18	3.90	-42.18
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784213	0	33	-1.0	-55.77	300.63	4.71	-51.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010784214	0	29	-1.0	-46.95	297.74	5.03	-41.92
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784215	0	35	-1.0	-50.47	324.65	4.87	-45.60
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010784216	0	33	-1.0	-47.66	305.69	-0.47	-48.13
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010784217	0	42	-1.0	-49.13	365.90	5.94	-43.19
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784218	0	33	-1.0	-55.12	314.95	4.52	-50.60
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010784219	0	36	-1.0	-58.03	316.37	5.27	-52.76
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784220	0	44	-1.0	-58.36	392.07	2.69	-55.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010784221	0	38	-1.0	-53.50	335.26	4.97	-48.53
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010784222	0	33	-1.0	-55.59	301.12	4.16	-51.43
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1	REAL300010784223	0	38	-1.0	-48.57	313.18	4.70	-43.87
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784224	0	36	-1.0	-59.62	329.49	0.15	-59.47
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784225	0	37	-1.0	-57.88	325.18	5.85	-52.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010784226	0	32	-1.0	-49.45	287.27	4.20	-45.25
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784227	0	40	-1.0	-49.81	353.75	6.40	-43.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010784228	0	46	-1.0	-49.84	389.99	3.97	-45.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010784229	0	34	-1.0	-49.78	308.19	3.63	-46.15
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010784230	0	34	-1.0	-47.97	315.54	5.75	-42.22
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784231	0	39	-1.0	-48.79	320.30	5.64	-43.15
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010784232	0	27	-1.0	-44.96	273.52	2.92	-42.04
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010784233	0	34	-1.0	-51.94	292.29	3.72	-48.22
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784234	0	31	-1.0	-50.20	283.07	5.16	-45.04
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010784235	0	36	-1.0	-49.29	312.69	3.17	-46.12
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010784236	0	44	-1.0	-56.94	370.75	4.95	-51.99
COC1=CC(Br)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784237	0	36	-1.0	-48.63	322.40	3.68	-44.95
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OCC	REAL300010784238	0	42	-1.0	-47.90	355.31	5.03	-42.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010784239	0	34	-1.0	-50.64	301.59	3.05	-47.59
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010784240	0	33	-1.0	-53.99	309.80	-1.02	-55.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010784241	0	39	-1.0	-51.49	330.68	5.10	-46.39
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C21	REAL300010784242	0	42	-1.0	-61.34	344.76	5.58	-55.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1C	REAL300010784243	0	36	-1.0	-46.81	306.42	5.66	-41.15
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784244	0	34	-1.0	-50.39	310.39	4.68	-45.71
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C21	REAL300010784245	0	39	-1.0	-54.83	334.27	5.11	-49.72
CNC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784246	0	35	-1.0	-55.09	312.05	2.30	-52.79
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2CC1C	REAL300010784247	0	42	-1.0	-52.19	349.66	5.62	-46.57
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CS1	REAL300010784248	0	31	-1.0	-57.56	296.73	4.42	-53.14
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784249	0	31	-1.0	-48.55	302.89	3.82	-44.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010784250	0	32	-1.0	-50.56	309.53	5.16	-45.40
CCOC(=O)C1=CNN=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784251	0	34	-1.0	-59.87	309.14	2.55	-57.32
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010784252	0	34	-1.0	-54.76	311.58	1.05	-53.71
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010784253	0	34	-1.0	-51.10	303.61	1.21	-49.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010784254	0	34	-1.0	-49.16	312.01	1.59	-47.57
CC1=CC2=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C2N=C1	REAL300010784255	0	36	-1.0	-53.54	310.53	5.79	-47.75
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010784256	0	34	-1.0	-56.77	303.72	5.05	-51.72
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784257	0	32	-1.0	-48.97	294.24	4.45	-44.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010784258	0	32	-1.0	-52.52	294.01	4.41	-48.11
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010784259	0	33	-1.0	-59.23	307.12	-1.06	-60.29
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784260	0	34	-1.0	-57.36	307.67	4.64	-52.72
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010784261	0	40	-1.0	-49.63	352.89	1.55	-48.08
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010784262	0	33	-1.0	-52.47	306.48	5.48	-46.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010784263	0	34	-1.0	-57.70	310.53	0.44	-57.26
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010784264	0	34	-1.0	-56.31	316.32	1.54	-54.77
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010784265	0	35	-1.0	-52.48	320.64	3.32	-49.16
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010784266	0	36	-1.0	-50.25	318.04	5.46	-44.79
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CN=C12	REAL300010784267	0	36	-1.0	-51.73	303.76	4.95	-46.78
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010784268	0	34	-1.0	-55.71	309.14	4.02	-51.69
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010784269	0	33	-1.0	-47.94	300.68	5.48	-42.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784270	0	36	-1.0	-59.99	313.48	7.17	-52.82
CCOC(=O)C1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1	REAL300010784271	0	42	-1.0	-49.24	349.53	4.78	-44.46
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784272	0	32	-1.0	-45.72	314.95	5.19	-40.53
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010784273	0	32	-1.0	-48.76	298.87	3.77	-44.99
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784274	0	39	-1.0	-50.40	348.38	1.98	-48.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010784275	0	30	-1.0	-56.63	292.16	6.44	-50.19
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010784276	0	40	-1.0	-50.66	339.41	3.31	-47.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010784277	0	38	-1.0	-51.55	320.73	7.74	-43.81
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784278	0	37	-1.0	-57.34	329.52	5.56	-51.78
CCOC(=O)N1CCC(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300010784279	0	42	-1.0	-52.39	346.51	4.05	-48.34
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010784280	0	28	-1.0	-47.10	276.91	4.64	-42.46
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784281	0	35	-1.0	-57.93	311.96	2.90	-55.03
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784282	0	33	-1.0	-47.79	290.09	5.14	-42.65
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784283	0	35	-1.0	-49.89	319.35	5.44	-44.45
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010784284	0	34	-1.0	-52.31	299.50	3.22	-49.09
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784285	0	43	-1.0	-48.50	338.08	6.80	-41.70
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010784286	0	28	-1.0	-47.10	284.79	4.95	-42.15
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010784287	0	28	-1.0	-48.64	276.97	4.85	-43.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010784288	0	31	-1.0	-50.57	291.95	5.00	-45.57
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010784289	0	31	-1.0	-53.49	283.29	5.58	-47.91
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010784290	0	31	-1.0	-48.58	304.78	5.39	-43.19
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010784291	0	31	-1.0	-48.22	299.31	5.34	-42.88
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)=CO1	REAL300010784292	0	37	-1.0	-55.09	329.25	3.04	-52.05
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010784293	0	27	-1.0	-43.82	280.03	3.06	-40.76
COC1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784294	0	32	-1.0	-51.37	289.71	3.62	-47.75
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C2S1	REAL300010784295	0	37	-1.0	-56.74	338.76	6.71	-50.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010784296	0	36	-1.0	-52.29	321.02	3.50	-48.79
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784297	0	37	-1.0	-54.78	332.57	5.47	-49.31
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=N2)C=C1	REAL300010784298	0	38	-1.0	-49.95	337.59	5.83	-44.12
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C21	REAL300010784299	0	39	-1.0	-68.52	334.19	5.11	-63.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010784300	0	29	-1.0	-53.52	286.27	4.85	-48.67
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(=O)N(C)C	REAL300010784301	0	42	-1.0	-57.43	356.53	3.48	-53.95
CC1CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC(Cl)=C2O1	REAL300010784302	0	36	-1.0	-50.67	328.80	5.17	-45.50
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010784303	0	33	-1.0	-45.72	297.09	5.16	-40.56
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010784304	0	42	-1.0	-49.46	370.54	6.64	-42.82
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=N1	REAL300010784305	0	39	-1.0	-56.05	342.75	4.81	-51.24
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(F)C=C1Br	REAL300010784306	0	34	-1.0	-48.30	326.28	5.10	-43.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010784307	0	30	-1.0	-50.51	287.01	3.55	-46.96
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784308	0	38	-1.0	-54.57	323.24	4.26	-50.31
CC(=O)NC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1C	REAL300010784309	0	38	-1.0	-55.64	327.47	3.78	-51.86
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010784310	0	40	-1.0	-51.42	329.23	4.61	-46.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010784311	0	34	-1.0	-50.89	304.24	3.04	-47.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010784312	0	37	-1.0	-50.02	328.00	5.71	-44.31
COC1=CC(OC)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784313	0	36	-1.0	-51.90	313.99	2.67	-49.23
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784314	0	36	-1.0	-44.68	301.32	5.93	-38.75
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(C)O1	REAL300010784315	0	34	-1.0	-46.38	306.30	3.41	-42.97
COC(=O)C1=NSC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784316	0	30	-1.0	-56.50	290.12	2.82	-53.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010784317	0	36	-1.0	-55.51	314.63	2.52	-52.99
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN1C	REAL300010784318	0	35	-1.0	-48.21	314.62	4.07	-44.14
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784319	0	39	-1.0	-52.51	335.48	5.83	-46.68
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010784320	0	31	-1.0	-47.21	299.09	5.29	-41.92
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Br)=C1	REAL300010784321	0	37	-1.0	-46.67	340.27	6.04	-40.63
CCOC(=O)C1CCCN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784322	0	39	-1.0	-55.87	333.09	4.54	-51.33
CNC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN1C	REAL300010784323	0	36	-1.0	-50.44	317.41	1.62	-48.82
COC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1	REAL300010784324	0	38	-1.0	-46.39	302.60	4.57	-41.82
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010784325	0	34	-1.0	-48.92	314.37	1.70	-47.22
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010784326	0	36	-1.0	-52.78	318.34	3.45	-49.33
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784327	0	37	-1.0	-52.86	333.08	5.47	-47.39
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010784328	0	39	-1.0	-50.91	328.38	4.12	-46.79
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784329	0	37	-1.0	-51.34	331.30	5.39	-45.95
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])O1	REAL300010784330	0	34	-1.0	-51.31	316.42	3.79	-47.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010784331	0	39	-1.0	-50.98	339.24	8.18	-42.80
COC(=O)COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784332	0	38	-1.0	-55.74	341.47	4.94	-50.80
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784333	0	41	-1.0	-51.71	362.42	5.09	-46.62
COC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784334	0	38	-1.0	-50.73	311.35	4.57	-46.16
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010784335	0	31	-1.0	-51.89	283.60	5.62	-46.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010784336	0	30	-1.0	-53.76	295.54	6.38	-47.38
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784337	0	33	-1.0	-60.97	280.02	6.18	-54.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010784338	0	30	-1.0	-47.17	289.43	4.99	-42.18
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010784339	0	25	-1.0	-46.70	261.54	3.51	-43.19
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010784340	0	36	-1.0	-51.24	298.23	5.16	-46.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010784341	0	36	-1.0	-48.31	314.97	3.15	-45.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010784342	0	27	-1.0	-47.78	277.01	3.09	-44.69
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010784343	0	30	-1.0	-49.65	283.52	4.64	-45.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010784344	0	30	-1.0	-47.80	297.29	5.10	-42.70
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784345	0	37	-1.0	-56.28	335.95	2.53	-53.75
CCN1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010784346	0	33	-1.0	-50.67	298.81	4.59	-46.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010784347	0	30	-1.0	-60.62	289.81	5.46	-55.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010784348	0	30	-1.0	-45.20	290.24	4.76	-40.44
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010784349	0	35	-1.0	-50.34	323.80	4.67	-45.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010784350	0	30	-1.0	-56.30	296.72	6.55	-49.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010784351	0	42	-1.0	-49.76	364.14	7.26	-42.50
CN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010784352	0	43	-1.0	-55.58	333.73	6.42	-49.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010784353	0	36	-1.0	-61.00	328.83	0.67	-60.33
CCOC(=O)N1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300010784354	0	41	-1.0	-49.71	342.25	2.86	-46.85
COC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010784355	0	37	-1.0	-51.63	330.93	5.16	-46.47
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010784356	0	38	-1.0	-49.47	340.99	5.63	-43.84
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784357	0	50	-1.0	-46.12	388.43	6.85	-39.27
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784358	0	34	-1.0	-50.99	315.73	4.96	-46.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010784359	0	36	-1.0	-53.84	329.18	0.73	-53.11
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010784360	0	34	-1.0	-50.53	317.98	1.53	-49.00
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784361	0	35	-1.0	-49.72	317.01	5.12	-44.60
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C21	REAL300010784362	0	40	-1.0	-50.54	345.74	5.59	-44.95
CC1=CN(C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2F)N=C1	REAL300010784363	0	38	-1.0	-48.63	337.49	6.01	-42.62
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784364	0	35	-1.0	-52.22	332.85	3.27	-48.95
CCS(=O)(=O)NCCS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784365	0	35	-1.0	-57.21	316.58	-1.24	-58.45
CC1=CC(Cl)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784366	0	33	-1.0	-50.93	305.27	5.57	-45.36
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010784367	0	34	-1.0	-51.25	307.74	5.37	-45.88
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010784368	0	25	-1.0	-45.64	276.13	4.12	-41.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010784369	0	40	-1.0	-50.17	342.55	5.84	-44.33
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010784370	0	28	-1.0	-49.75	276.60	4.59	-45.16
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010784371	0	34	-1.0	-44.68	307.30	5.50	-39.18
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010784372	0	34	-1.0	-53.98	327.85	4.83	-49.15
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C12	REAL300010784373	0	36	-1.0	-48.92	321.34	3.80	-45.12
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784374	0	35	-1.0	-50.58	321.39	4.61	-45.97
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010784375	0	31	-1.0	-46.45	303.11	5.39	-41.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010784376	0	37	-1.0	-51.27	337.16	6.87	-44.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010784377	0	30	-1.0	-47.31	289.20	4.98	-42.33
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784378	0	34	-1.0	-56.66	307.25	5.80	-50.86
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010784379	0	40	-1.0	-57.47	349.45	2.48	-54.99
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN=C2S1	REAL300010784380	0	42	-1.0	-49.34	380.03	5.64	-43.70
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010784381	0	35	-1.0	-50.21	324.26	4.60	-45.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010784382	0	28	-1.0	-48.44	281.53	4.95	-43.49
COC1=CC(OC)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784383	0	36	-1.0	-51.53	327.27	3.93	-47.60
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010784384	0	36	-1.0	-47.35	324.69	1.48	-45.87
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784385	0	37	-1.0	-50.52	337.59	5.88	-44.64
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(Br)C=C1F	REAL300010784386	0	34	-1.0	-46.85	322.96	5.16	-41.69
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1F	REAL300010784387	0	37	-1.0	-46.43	334.07	5.58	-40.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010784388	0	36	-1.0	-58.25	318.86	5.11	-53.14
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010784389	0	31	-1.0	-49.08	310.65	6.00	-43.08
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010784390	0	34	-1.0	-52.74	318.50	6.79	-45.95
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010784391	0	31	-1.0	-45.82	301.57	5.74	-40.08
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010784392	0	34	-1.0	-50.33	296.49	6.72	-43.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010784393	0	34	-1.0	-51.74	306.25	6.57	-45.17
COC1=CC(Br)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784394	0	32	-1.0	-47.91	309.22	4.32	-43.59
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C2O1	REAL300010784395	0	42	-1.0	-53.06	368.50	6.29	-46.77
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010784396	0	34	-1.0	-52.50	317.99	1.53	-50.97
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010784397	0	41	-1.0	-55.08	360.29	5.56	-49.52
CN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010784398	0	39	-1.0	-55.36	352.73	1.08	-54.28
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010784399	0	29	-1.0	-47.57	280.85	4.61	-42.96
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1N(C)C	REAL300010784400	0	39	-1.0	-48.84	327.48	4.63	-44.21
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784401	0	33	-1.0	-45.06	302.38	5.53	-39.53
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010784402	0	31	-1.0	-58.28	295.56	4.86	-53.42
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784403	0	34	-1.0	-56.86	316.26	6.25	-50.61
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784404	0	40	-1.0	-48.60	324.26	4.37	-44.23
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010784405	0	34	-1.0	-61.79	313.58	1.49	-60.30
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010784406	0	44	-1.0	-50.68	372.44	1.67	-49.01
CCOC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300010784407	0	42	-1.0	-49.87	346.37	4.67	-45.20
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784408	0	36	-1.0	-55.51	313.22	5.58	-49.93
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010784409	0	43	-1.0	-50.27	374.80	3.11	-47.16
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784410	0	38	-1.0	-57.67	332.27	3.72	-53.95
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010784411	0	31	-1.0	-48.24	298.53	5.28	-42.96
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784412	0	37	-1.0	-51.83	321.02	5.78	-46.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784413	0	47	-1.0	-56.70	377.48	8.05	-48.65
CN(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010784414	0	31	-1.0	-51.35	305.17	5.70	-45.65
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784415	0	35	-1.0	-55.67	325.41	3.49	-52.18
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784416	0	32	-1.0	-48.03	306.85	4.22	-43.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784417	0	40	-1.0	-55.22	334.68	2.59	-52.63
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CS1	REAL300010784418	0	31	-1.0	-55.10	300.39	3.67	-51.43
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784419	0	37	-1.0	-56.54	339.88	6.75	-49.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010784420	0	39	-1.0	-49.52	361.03	7.37	-42.15
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1C	REAL300010784421	0	37	-1.0	-51.36	318.66	5.38	-45.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010784422	0	30	-1.0	-44.84	305.13	5.32	-39.52
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784423	0	32	-1.0	-45.52	307.36	4.78	-40.74
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784424	0	40	-1.0	-48.49	330.26	4.54	-43.95
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)=C1	REAL300010784425	0	42	-1.0	-49.44	365.72	7.54	-41.90
CN(CCC(=O)[O-])S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010784426	0	42	-1.0	-51.29	379.34	2.98	-48.31
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010784427	0	31	-1.0	-54.27	286.76	1.56	-52.71
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010784428	0	36	-1.0	-50.56	317.87	4.48	-46.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010784429	0	28	-1.0	-46.88	283.40	5.12	-41.76
COC(=O)C1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	REAL300010784430	0	39	-1.0	-49.05	326.49	3.82	-45.23
COC1=C(C)C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784431	0	38	-1.0	-49.09	326.24	4.86	-44.23
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(C(=O)OC)S1	REAL300010784432	0	37	-1.0	-55.91	352.77	5.27	-50.64
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010784433	0	28	-1.0	-45.13	284.58	4.07	-41.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010784434	0	41	-1.0	-51.06	375.19	6.01	-45.05
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010784435	0	37	-1.0	-54.51	331.46	5.87	-48.64
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010784436	0	45	-1.0	-54.19	389.85	3.70	-50.49
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010784437	0	34	-1.0	-49.75	321.44	4.76	-44.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010784438	0	34	-1.0	-53.79	338.17	5.28	-48.51
CC1=CC(Br)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784440	0	28	-1.0	-49.52	289.19	4.51	-45.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010784441	0	33	-1.0	-55.05	312.89	4.79	-50.26
CC1=C(Br)SC(S(=O)(=O)N(C)CCC(=O)[O-])=N1	REAL300010784442	0	27	-1.0	-48.28	283.17	2.40	-45.88
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784443	0	33	-1.0	-45.40	294.44	5.18	-40.22
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010784444	0	32	-1.0	-49.47	305.60	2.85	-46.62
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010784445	0	33	-1.0	-52.18	294.54	5.79	-46.39
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010784446	0	36	-1.0	-51.13	317.65	5.91	-45.22
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010784447	0	36	-1.0	-51.33	326.20	6.18	-45.15
CC1=NN2C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=NC2=C1Cl	REAL300010784448	0	33	-1.0	-48.58	315.30	4.00	-44.58
CCCCCCN1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C(=O)NC1=O	REAL300010784449	0	46	-1.0	-61.63	387.24	4.74	-56.89
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010784450	0	28	-1.0	-44.26	282.03	4.53	-39.73
CN(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(=C32)C=C1	REAL300010784451	0	39	-1.0	-51.96	334.26	5.73	-46.23
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010784452	0	32	-1.0	-51.02	302.63	5.15	-45.87
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010784453	0	33	-1.0	-45.43	308.07	5.39	-40.04
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784454	0	34	-1.0	-56.76	305.93	5.81	-50.95
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(OC)=C1	REAL300010784455	0	46	-1.0	-54.76	393.80	2.36	-52.40
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(OC)=C1	REAL300010784456	0	43	-1.0	-54.99	372.30	1.57	-53.42
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784457	1	43	-1.0	-50.85	363.87	1.20	-49.65
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784458	0	42	-1.0	-50.31	374.79	2.44	-47.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010784459	0	42	-1.0	-47.39	358.76	5.19	-42.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010784460	0	31	-1.0	-66.55	283.40	3.55	-63.00
CC1=CC=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784461	0	31	-1.0	-50.62	282.40	4.97	-45.65
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784462	0	39	-1.0	-50.48	353.29	1.65	-48.83
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010784463	0	27	-1.0	-50.98	268.18	3.25	-47.73
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CC=C12	REAL300010784464	0	39	-1.0	-49.98	335.08	4.76	-45.22
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010784465	0	38	-1.0	-48.30	348.34	8.02	-40.28
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010784466	0	31	-1.0	-45.62	309.93	5.81	-39.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010784467	0	36	-1.0	-65.46	324.11	2.59	-62.87
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010784468	0	28	-1.0	-43.64	279.57	5.29	-38.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010784469	0	27	-1.0	-44.80	273.81	2.99	-41.81
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=N1	REAL300010784470	0	33	-1.0	-49.52	305.75	2.90	-46.62
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010784471	0	31	-1.0	-53.54	317.28	0.98	-52.56
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010784472	0	47	-1.0	-57.29	409.85	5.04	-52.25
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784473	0	38	-1.0	-49.67	324.88	4.87	-44.80
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784474	0	42	-1.0	-56.52	390.32	1.69	-54.83
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010784475	0	37	-1.0	-56.42	345.68	4.00	-52.42
CC(=O)NC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784476	0	38	-1.0	-51.09	336.94	4.10	-46.99
CC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010784477	0	33	-1.0	-47.72	311.94	5.10	-42.62
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010784478	0	39	-1.0	-48.59	358.22	2.92	-45.67
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)CC1	REAL300010784479	0	41	-1.0	-52.51	353.95	6.65	-45.86
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010784480	0	32	-1.0	-56.70	311.49	5.49	-51.21
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010784481	0	37	-1.0	-59.21	321.23	7.83	-51.38
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010784482	0	36	-1.0	-56.70	300.23	5.54	-51.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010784483	0	34	-1.0	-55.27	305.30	5.50	-49.77
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010784484	0	41	-1.0	-60.21	340.67	5.03	-55.18
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010784485	0	34	-1.0	-47.16	323.62	2.14	-45.02
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784486	0	37	-1.0	-47.95	338.07	5.71	-42.24
CCC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010784487	0	37	-1.0	-52.22	328.06	4.13	-48.09
CN(CCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010784488	0	45	-1.0	-57.93	366.29	5.93	-52.00
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784489	0	41	-1.0	-50.11	362.60	5.74	-44.37
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010784490	0	29	-1.0	-46.53	282.09	4.76	-41.77
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784491	0	32	-1.0	-46.73	304.52	4.60	-42.13
CN(CCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010784492	0	48	-1.0	-56.64	369.10	5.59	-51.05
CN(CCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010784493	0	45	-1.0	-54.27	382.76	6.35	-47.92
CN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010784494	0	42	-1.0	-52.56	343.94	4.17	-48.39
CN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010784495	0	39	-1.0	-46.16	348.63	4.65	-41.51
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010784496	0	30	-1.0	-48.64	289.74	3.30	-45.34
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])SC=N1	REAL300010784497	0	30	-1.0	-49.76	293.64	1.81	-47.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784498	0	34	-1.0	-48.29	316.21	4.78	-43.51
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010785001	0	37	-1.0	-53.83	312.03	6.96	-46.87
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785002	0	32	-1.0	-47.40	303.12	4.98	-42.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010785003	0	35	-1.0	-52.37	313.54	4.39	-47.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010785004	0	42	-1.0	-48.00	357.50	5.49	-42.51
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010785005	0	28	-1.0	-51.26	277.33	4.51	-46.75
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CCC(=O)[O-])O1	REAL300010785006	0	34	-1.0	-58.61	318.63	0.36	-58.25
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010785007	0	38	-1.0	-54.62	334.91	5.38	-49.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010785008	0	34	-1.0	-53.31	326.45	1.47	-51.84
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010785009	0	32	-1.0	-47.38	308.31	5.86	-41.52
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010785010	0	32	-1.0	-46.11	308.30	5.87	-40.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010785011	0	30	-1.0	-47.94	283.83	3.38	-44.56
CC1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010785012	0	37	-1.0	-55.47	331.06	3.03	-52.44
CN(CCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010785013	0	45	-1.0	-50.61	331.51	6.97	-43.64
CN(CCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300010785014	0	36	-1.0	-59.00	323.22	0.83	-58.17
CCOC(=O)C1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C2C=CC=CN12	REAL300010785015	0	40	-1.0	-59.65	357.58	5.76	-53.89
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010785016	0	32	-1.0	-50.73	300.72	3.06	-47.67
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C2C=C1	REAL300010785017	0	37	-1.0	-53.22	336.42	5.94	-47.28
CN(CCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010785018	0	38	-1.0	-51.73	337.80	6.98	-44.75
COC(=O)C1CCCCN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785019	0	39	-1.0	-48.42	308.24	4.61	-43.81
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010785020	0	50	-1.0	-48.10	382.46	8.16	-39.94
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010785021	0	31	-1.0	-55.85	298.31	4.79	-51.06
COC1=CC=C(C=C(C)S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010785022	0	39	-1.0	-48.27	330.38	5.04	-43.23
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=NN1	REAL300010785023	0	34	-1.0	-50.69	315.21	1.87	-48.82
COC1=CSC(S(=O)(=O)N(C)CCC(=O)[O-])=C1OC	REAL300010785024	0	33	-1.0	-48.44	302.19	1.96	-46.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785025	0	31	-1.0	-49.17	309.57	3.34	-45.83
CN(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010785026	0	39	-1.0	-51.19	334.87	5.96	-45.23
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785027	0	32	-1.0	-48.15	301.75	5.19	-42.96
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010785028	0	32	-1.0	-53.67	305.93	4.98	-48.69
COC1=CC(F)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010785029	0	32	-1.0	-50.22	289.56	3.52	-46.70
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010785030	0	32	-1.0	-47.00	298.37	3.63	-43.37
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010785031	0	31	-1.0	-48.74	281.80	5.26	-43.48
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010785032	0	37	-1.0	-49.15	333.88	4.54	-44.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010785033	0	25	-1.0	-43.48	278.02	4.09	-39.39
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785034	0	41	-1.0	-52.72	346.04	6.48	-46.24
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010785035	0	45	-1.0	-49.72	371.21	5.90	-43.82
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010785036	0	31	-1.0	-45.17	311.25	5.49	-39.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010785037	0	33	-1.0	-52.09	307.07	4.66	-47.43
CN(CCC(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300010785038	0	25	-1.0	-45.99	267.73	3.97	-42.02
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010785039	0	39	-1.0	-53.46	345.44	6.97	-46.49
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010785040	0	34	-1.0	-58.46	294.83	6.01	-52.45
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010785041	0	33	-1.0	-54.83	309.89	2.65	-52.18
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010785042	0	29	-1.0	-53.01	292.59	3.02	-49.99
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785043	0	39	-1.0	-53.51	336.22	5.59	-47.92
CCN1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300010785044	0	38	-1.0	-49.12	325.03	4.61	-44.51
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=NSN=C2C=C1	REAL300010785045	0	32	-1.0	-58.58	288.26	3.19	-55.39
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010785046	0	34	-1.0	-47.10	315.46	6.75	-40.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010785047	0	38	-1.0	-48.97	345.94	7.99	-40.98
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C(Cl)S1	REAL300010785048	0	31	-1.0	-53.67	313.46	5.03	-48.64
CCC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010785049	0	34	-1.0	-45.59	311.92	5.86	-39.73
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785050	0	41	-1.0	-47.38	337.68	5.10	-42.28
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785051	0	42	-1.0	-52.36	354.08	4.43	-47.93
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010785052	0	34	-1.0	-49.75	307.01	6.65	-43.10
CN(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010785053	0	36	-1.0	-49.45	298.01	1.52	-47.93
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010785054	0	34	-1.0	-49.70	319.85	3.89	-45.81
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785055	0	42	-1.0	-55.82	367.14	4.46	-51.36
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010785056	0	43	-1.0	-49.34	357.50	4.40	-44.94
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785057	0	31	-1.0	-46.57	291.97	1.82	-44.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010785058	0	27	-1.0	-46.45	282.96	2.01	-44.44
CN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010785059	0	38	-1.0	-50.61	317.44	1.88	-48.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010785060	0	31	-1.0	-60.03	304.48	3.87	-56.16
CN(CCC(=O)[O-])S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010785061	0	26	-1.0	-47.94	267.17	1.96	-45.98
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010785062	0	32	-1.0	-59.92	303.45	2.08	-57.84
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010785063	0	25	-1.0	-47.77	275.17	4.25	-43.52
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785064	0	32	-1.0	-49.56	298.80	4.56	-45.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010785065	0	30	-1.0	-49.97	290.91	3.15	-46.82
COC1=NC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1Cl	REAL300010785066	0	31	-1.0	-51.91	287.39	1.10	-50.81
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010785067	0	37	-1.0	-55.02	338.21	3.05	-51.97
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785068	0	35	-1.0	-56.35	312.32	1.94	-54.41
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010785069	0	32	-1.0	-47.56	317.98	6.19	-41.37
CN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010785070	0	33	-1.0	-51.40	311.40	6.23	-45.17
CN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010785071	0	27	-1.0	-48.91	274.78	2.98	-45.93
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010785072	0	39	-1.0	-49.16	327.41	4.46	-44.70
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CN=C12	REAL300010785073	0	36	-1.0	-51.73	303.76	4.95	-46.78
COC(=O)C1=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010785074	0	36	-1.0	-47.48	321.79	3.43	-44.05
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010785075	0	31	-1.0	-59.19	296.16	6.32	-52.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010785076	0	35	-1.0	-52.87	311.28	5.11	-47.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010785077	0	35	-1.0	-50.09	314.87	6.26	-43.83
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=C1NCCC2	REAL300010785078	0	40	-1.0	-50.16	325.16	4.95	-45.21
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010785079	0	42	-1.0	-49.37	363.81	7.64	-41.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010785080	0	35	-1.0	-49.42	314.40	6.22	-43.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010785081	0	25	-1.0	-50.14	256.04	3.37	-46.77
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010785082	0	32	-1.0	-47.78	300.18	4.35	-43.43
CC1=CC(Br)=NC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785083	0	30	-1.0	-44.91	279.07	3.20	-41.71
CC1=CC=C(I)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785084	0	31	-1.0	-49.93	289.58	5.63	-44.30
COC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785085	0	37	-1.0	-57.11	321.96	5.88	-51.23
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010785086	0	39	-1.0	-50.98	339.24	8.18	-42.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010785087	0	31	-1.0	-52.10	287.48	4.83	-47.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010785088	0	27	-1.0	-45.18	269.25	2.78	-42.40
CN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010785089	0	30	-1.0	-54.54	280.28	3.41	-51.13
CN(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300010785090	0	31	-1.0	-47.16	286.42	3.77	-43.39
CN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010785091	0	36	-1.0	-52.77	309.25	-0.26	-53.03
CC1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Br	REAL300010785092	0	30	-1.0	-51.72	290.60	3.30	-48.42
CN(CCC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010785093	0	27	-1.0	-49.14	282.93	3.47	-45.67
CN(CCC(=O)[O-])S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010785094	0	32	-1.0	-61.19	302.90	3.33	-57.86
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010785095	0	32	-1.0	-46.16	303.74	5.77	-40.39
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010785096	0	37	-1.0	-59.81	332.98	3.55	-56.26
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010785097	0	35	-1.0	-57.17	310.80	6.43	-50.74
COC1=CC=C(I)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785098	0	32	-1.0	-49.61	295.38	4.04	-45.57
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300010785099	0	31	-1.0	-47.14	295.25	5.40	-41.74
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010785100	0	32	-1.0	-48.52	301.26	3.76	-44.76
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)C=C1	REAL300010785101	0	51	-1.0	-49.48	424.36	9.19	-40.29
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C(F)F)=C1	REAL300010785102	0	35	-1.0	-50.46	307.77	4.62	-45.84
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010785103	0	41	-1.0	-53.91	356.82	5.61	-48.30
COC(=O)C1CC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2C1	REAL300010785104	0	41	-1.0	-51.91	354.30	6.59	-45.32
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785105	0	34	-1.0	-46.79	314.35	2.32	-44.47
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785106	0	34	-1.0	-53.34	322.08	6.30	-47.04
COC(=O)C1=CC=NC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785107	0	33	-1.0	-55.65	295.85	3.88	-51.77
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010785108	0	34	-1.0	-57.18	298.27	5.12	-52.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1I	REAL300010785109	0	28	-1.0	-48.20	267.64	4.90	-43.30
COC1=CC=C(I)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785110	0	32	-1.0	-49.61	295.38	4.04	-45.57
COC(=O)C1=NC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2C=C1	REAL300010785111	0	39	-1.0	-52.20	349.46	4.99	-47.21
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010785112	0	36	-1.0	-58.41	307.01	5.65	-52.76
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=NS1	REAL300010785113	0	24	-1.0	-45.24	257.59	2.38	-42.86
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010785114	0	30	-1.0	-50.27	291.99	2.52	-47.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010785115	0	35	-1.0	-47.81	322.43	4.84	-42.97
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785116	0	41	-1.0	-53.27	338.73	6.14	-47.13
CN(CCC(=O)[O-])S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010785117	1	33	-1.0	-50.13	304.29	3.15	-46.98
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300010785118	0	33	-1.0	-45.14	298.71	3.44	-41.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010785119	0	34	-1.0	-51.39	312.40	4.79	-46.60
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010785120	0	34	-1.0	-42.29	307.61	5.01	-37.28
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C	REAL300010785121	0	46	-1.0	-54.42	352.87	6.79	-47.63
COC(=O)CC1(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785122	0	43	-1.0	-55.66	355.92	4.70	-50.96
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785123	0	40	-1.0	-62.44	334.64	5.66	-56.78
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785124	0	43	-1.0	-51.53	367.02	5.74	-45.79
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010785125	0	34	-1.0	-56.84	310.69	4.94	-51.90
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785126	0	40	-1.0	-51.82	345.86	4.89	-46.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010785127	0	46	-1.0	-53.75	367.17	6.51	-47.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300010785128	0	43	-1.0	-54.13	351.45	6.09	-48.04
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785129	0	46	-1.0	-54.02	369.21	6.72	-47.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010785130	0	45	-1.0	-55.41	385.90	2.14	-53.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010785131	0	38	-1.0	-56.23	326.83	0.97	-55.26
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785132	0	44	-1.0	-57.37	372.50	3.16	-54.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010785133	0	36	-1.0	-50.54	323.48	5.16	-45.38
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010785134	0	34	-1.0	-56.57	310.99	5.37	-51.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010785135	0	31	-1.0	-51.82	299.69	3.77	-48.05
CCCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785136	0	43	-1.0	-54.01	355.31	6.39	-47.62
COC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785137	0	38	-1.0	-59.13	317.17	4.47	-54.66
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010785138	0	34	-1.0	-52.25	316.70	5.07	-47.18
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300010785139	0	38	-1.0	-55.10	340.55	4.09	-51.01
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785140	0	45	-1.0	-52.59	375.55	3.19	-49.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010785141	0	34	-1.0	-42.66	306.61	4.89	-37.77
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010785142	0	34	-1.0	-49.13	324.32	5.20	-43.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010785143	0	34	-1.0	-57.55	295.30	4.49	-53.06
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010785144	0	46	-1.0	-57.25	400.35	5.48	-51.77
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785145	0	46	-1.0	-65.73	387.36	6.28	-59.45
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010785146	1	34	-1.0	-60.85	297.73	4.37	-56.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010785147	0	33	-1.0	-48.14	302.26	2.78	-45.36
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010785148	0	34	-1.0	-50.51	316.28	4.90	-45.61
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010785149	0	37	-1.0	-54.02	321.22	5.78	-48.24
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010785150	0	37	-1.0	-50.87	330.35	5.37	-45.50
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1NC(C)=O	REAL300010785151	0	45	-1.0	-67.76	375.16	2.46	-65.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785152	0	38	-1.0	-51.38	337.13	3.95	-47.43
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1C	REAL300010785153	0	49	-1.0	-55.54	367.80	7.42	-48.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010785154	0	43	-1.0	-55.91	353.91	4.10	-51.81
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785155	0	39	-1.0	-59.85	334.39	5.36	-54.49
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010785156	0	31	-1.0	-51.80	304.33	3.88	-47.92
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010785157	0	40	-1.0	-52.55	347.10	6.56	-45.99
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785158	0	38	-1.0	-43.40	342.09	4.78	-38.62
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785159	0	52	-1.0	-53.12	396.92	8.19	-44.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010785160	0	50	-1.0	-53.82	393.05	7.96	-45.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010785161	0	37	-1.0	-50.52	329.97	5.15	-45.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010785162	0	44	-1.0	-54.24	353.14	6.64	-47.60
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785163	0	42	-1.0	-47.56	350.32	3.46	-44.10
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010785164	0	42	-1.0	-54.80	349.13	3.35	-51.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785165	0	44	-1.0	-53.35	388.08	3.76	-49.59
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010785166	0	41	-1.0	-55.26	335.93	6.06	-49.20
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785167	0	41	-1.0	-57.94	365.76	2.36	-55.58
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010785168	0	42	-1.0	-54.70	348.24	6.67	-48.03
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010785169	0	34	-1.0	-54.65	306.24	4.44	-50.21
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785170	0	44	-1.0	-70.17	355.88	3.68	-66.49
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010785171	0	31	-1.0	-37.32	314.78	4.49	-32.83
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785172	0	49	-1.0	-53.95	394.38	7.68	-46.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010785173	0	40	-1.0	-57.60	332.88	6.56	-51.04
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010785174	0	44	-1.0	-54.49	365.11	7.59	-46.90
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010785175	0	37	-1.0	-51.65	334.23	5.45	-46.20
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785176	0	37	-1.0	-41.46	313.52	5.14	-36.32
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785177	0	34	-1.0	-50.46	327.77	5.88	-44.58
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785178	0	49	-1.0	-54.01	381.53	6.95	-47.06
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785179	0	37	-1.0	-51.30	326.42	5.29	-46.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010785180	0	34	-1.0	-46.97	309.64	4.31	-42.66
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785181	0	37	-1.0	-59.98	309.64	4.71	-55.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010785182	1	34	-1.0	-39.56	327.49	5.10	-34.46
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010785183	0	37	-1.0	-54.34	338.61	5.37	-48.97
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010785184	0	34	-1.0	-39.40	327.38	5.10	-34.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010785185	0	34	-1.0	-49.17	306.92	4.24	-44.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010785186	0	35	-1.0	-64.54	298.54	2.88	-61.66
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010785187	0	37	-1.0	-51.05	317.37	4.83	-46.22
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785188	0	37	-1.0	-52.41	335.42	5.22	-47.19
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010785189	0	39	-1.0	-51.46	332.45	4.98	-46.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010785190	0	37	-1.0	-39.59	320.28	5.81	-33.78
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010785191	0	45	-1.0	-54.15	395.85	7.57	-46.58
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010785192	0	34	-1.0	-59.97	304.06	4.53	-55.44
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010785193	0	34	-1.0	-39.64	317.13	5.16	-34.48
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785194	0	40	-1.0	-42.31	351.34	4.84	-37.47
CC1=CC=C(F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785195	0	37	-1.0	-55.66	320.70	5.04	-50.62
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785196	0	38	-1.0	-55.68	326.11	3.52	-52.16
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785197	0	37	-1.0	-51.20	317.68	4.89	-46.31
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010785198	1	34	-1.0	-53.78	304.04	4.43	-49.35
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010785199	0	34	-1.0	-51.20	317.86	4.85	-46.35
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2)C=C1	REAL300010785200	0	49	-1.0	-52.76	408.58	6.29	-46.47
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785201	0	41	-1.0	-55.28	360.90	3.71	-51.57
CC(C)C[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300010785202	0	45	-1.0	-40.99	345.40	4.62	-36.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010785203	0	50	-1.0	-47.85	400.86	7.51	-40.34
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010785204	0	38	-1.0	-61.16	335.09	5.26	-55.90
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010785205	0	37	-1.0	-56.80	329.15	5.93	-50.87
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010785206	0	37	-1.0	-56.51	345.92	5.87	-50.64
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010785207	0	44	-1.0	-56.49	357.00	5.70	-50.79
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(N)=O	REAL300010785208	0	41	-1.0	-53.18	341.16	1.61	-51.57
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(N)=O	REAL300010785209	0	42	-1.0	-55.02	352.44	1.50	-53.52
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785210	0	39	-1.0	-50.56	334.76	5.78	-44.78
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785211	0	41	-1.0	-59.61	355.41	3.24	-56.37
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785212	0	39	-1.0	-50.19	318.29	5.63	-44.56
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010785213	0	34	-1.0	-57.87	307.08	3.61	-54.26
CC1=CC(F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785214	0	37	-1.0	-51.19	318.47	4.87	-46.32
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785215	0	40	-1.0	-51.85	362.61	5.32	-46.53
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010785216	0	33	-1.0	-53.48	299.91	3.83	-49.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010785217	0	43	-1.0	-67.14	375.95	2.39	-64.75
CC(=O)NC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010785218	0	41	-1.0	-63.78	352.56	3.16	-60.62
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C21	REAL300010785219	0	48	-1.0	-73.16	383.80	5.76	-67.40
CC(C)C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010785220	0	39	-1.0	-70.26	339.97	0.22	-70.04
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1C	REAL300010785221	0	44	-1.0	-55.12	340.92	5.36	-49.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010785222	0	34	-1.0	-39.40	313.79	5.07	-34.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010785223	0	45	-1.0	-52.89	373.73	3.65	-49.24
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010785224	0	37	-1.0	-55.50	335.66	5.55	-49.95
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010785225	0	34	-1.0	-51.12	327.23	5.23	-45.89
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785226	0	47	-1.0	-63.04	394.60	3.97	-59.07
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785227	0	48	-1.0	-62.80	393.19	3.27	-59.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785228	0	42	-1.0	-60.49	351.67	6.60	-53.89
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785229	0	46	-1.0	-54.29	371.70	6.81	-47.48
COCCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785230	0	44	-1.0	-54.41	367.73	4.66	-49.75
COCCN(CCOC)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785231	0	46	-1.0	-52.18	357.08	1.14	-51.04
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785232	0	37	-1.0	-41.10	323.85	5.60	-35.50
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785233	0	50	-1.0	-53.46	402.49	6.45	-47.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010785234	0	48	-1.0	-52.67	385.22	6.34	-46.33
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785235	0	47	-1.0	-53.38	383.29	5.87	-47.51
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785236	0	44	-1.0	-53.54	363.43	5.15	-48.39
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785237	0	38	-1.0	-54.89	335.92	4.01	-50.88
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010785238	0	38	-1.0	-53.29	345.60	4.28	-49.01
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785239	0	41	-1.0	-53.27	340.46	4.21	-49.06
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300010785240	0	47	-1.0	-53.10	380.25	5.76	-47.34
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010785241	0	41	-1.0	-44.07	336.55	4.35	-39.72
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785242	0	45	-1.0	-55.81	375.93	3.67	-52.14
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010785243	0	37	-1.0	-57.17	319.56	4.90	-52.27
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785244	0	45	-1.0	-59.21	381.85	3.82	-55.39
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010785245	0	49	-1.0	-53.28	395.01	3.59	-49.69
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Br)=C1	REAL300010785246	0	37	-1.0	-43.80	328.21	5.88	-37.92
CC(C)C[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010785247	0	40	-1.0	-62.66	356.91	2.55	-60.11
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785248	0	40	-1.0	-63.95	340.35	6.19	-57.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010785249	0	39	-1.0	-53.45	331.76	4.56	-48.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785250	0	38	-1.0	-57.38	326.63	4.59	-52.79
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785251	0	38	-1.0	-38.95	325.27	5.40	-33.55
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010785252	0	35	-1.0	-51.72	320.62	4.76	-46.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010785253	0	38	-1.0	-51.36	340.42	5.68	-45.68
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1OC	REAL300010785254	0	44	-1.0	-57.35	372.92	4.88	-52.47
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785255	0	43	-1.0	-53.17	361.37	5.36	-47.81
COC(=O)CCN(C)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785256	0	41	-1.0	-54.05	337.83	3.51	-50.54
CC(C)C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010785257	0	44	-1.0	-41.56	361.19	0.01	-41.55
CC(C)C[C@@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300010785258	0	43	-1.0	-52.97	337.69	2.11	-50.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010785259	0	43	-1.0	-65.14	359.58	4.24	-60.90
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010785260	0	43	-1.0	-56.91	364.37	5.47	-51.44
CCN1N=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C	REAL300010785261	0	43	-1.0	-51.04	347.04	3.88	-47.16
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300010785262	0	40	-1.0	-54.83	336.48	3.22	-51.61
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010785263	0	43	-1.0	-57.29	355.84	5.33	-51.96
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300010785264	0	40	-1.0	-62.06	338.21	4.84	-57.22
CC(C)C[C@@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300010785265	0	40	-1.0	-59.54	328.56	3.39	-56.15
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010785266	0	46	-1.0	-57.56	333.76	6.41	-51.15
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010785267	0	42	-1.0	-60.20	356.77	3.55	-56.65
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010785269	0	41	-1.0	-58.84	356.94	5.39	-53.45
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010785270	0	40	-1.0	-61.10	350.98	4.73	-56.37
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Cl)=C1Cl	REAL300010785271	0	38	-1.0	-43.64	344.27	5.04	-38.60
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010785272	0	44	-1.0	-50.05	381.32	6.25	-43.80
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(Br)O1	REAL300010785273	0	37	-1.0	-40.32	351.03	3.73	-36.59
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C(Br)S1	REAL300010785274	0	34	-1.0	-39.44	322.39	4.80	-34.64
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1	REAL300010785275	0	38	-1.0	-60.90	335.13	2.55	-58.35
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010785276	0	35	-1.0	-52.42	327.39	4.95	-47.47
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C	REAL300010785277	0	42	-1.0	-57.94	342.58	7.03	-50.91
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785278	0	40	-1.0	-55.67	350.18	5.12	-50.55
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785279	0	43	-1.0	-65.99	359.49	2.25	-63.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010785280	0	38	-1.0	-39.47	334.56	6.13	-33.34
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010785281	0	35	-1.0	-53.48	326.63	4.95	-48.53
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785282	0	50	-1.0	-53.43	402.80	5.90	-47.53
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010785283	0	45	-1.0	-59.42	378.46	4.12	-55.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010785284	0	46	-1.0	-55.25	399.42	2.00	-53.25
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785285	0	42	-1.0	-56.13	367.77	0.32	-55.81
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785286	0	44	-1.0	-63.55	387.38	3.10	-60.45
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])O1	REAL300010785287	0	37	-1.0	-53.73	332.53	3.11	-50.62
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785288	0	40	-1.0	-52.60	351.12	3.76	-48.84
CC1=NC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785289	0	36	-1.0	-52.22	316.53	2.79	-49.43
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785290	1	36	-1.0	-67.62	319.13	5.86	-61.76
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010785291	0	37	-1.0	-55.00	347.71	5.88	-49.12
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C)N1	REAL300010785292	0	47	-1.0	-57.96	384.61	4.75	-53.21
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010785293	0	34	-1.0	-56.90	306.14	4.94	-51.96
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S2)=CS1	REAL300010785294	0	40	-1.0	-54.11	370.06	4.70	-49.41
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010785295	0	54	-1.0	-52.27	425.42	7.79	-44.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010785296	0	44	-1.0	-57.45	388.11	3.76	-53.69
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010785297	0	34	-1.0	-51.03	318.64	5.28	-45.75
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785298	0	43	-1.0	-45.91	361.85	5.73	-40.18
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785299	0	36	-1.0	-60.97	313.16	6.25	-54.72
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010785300	0	42	-1.0	-56.85	346.94	3.26	-53.59
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010785301	0	45	-1.0	-57.20	365.08	4.31	-52.89
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785302	1	36	-1.0	-52.05	340.79	6.89	-45.16
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010785303	0	37	-1.0	-58.57	328.63	4.92	-53.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010785304	0	35	-1.0	-51.98	306.52	4.73	-47.25
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010785305	0	35	-1.0	-52.07	317.00	5.15	-46.92
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300010785306	0	37	-1.0	-51.35	330.46	5.38	-45.97
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785307	0	37	-1.0	-42.97	314.71	5.27	-37.70
COC(=O)CN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785308	0	40	-1.0	-63.17	351.18	2.89	-60.28
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010785309	0	40	-1.0	-53.21	343.02	6.76	-46.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010785310	0	39	-1.0	-51.11	333.22	6.01	-45.10
CC1=C(Br)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785311	0	34	-1.0	-51.51	323.58	4.49	-47.02
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010785312	0	38	-1.0	-61.87	332.79	5.30	-56.57
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC(F)=C1F	REAL300010785313	0	40	-1.0	-49.23	356.02	4.89	-44.34
CC(C)C[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010785314	0	52	-1.0	-44.14	375.87	5.98	-38.16
CC1=NC2=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CC=C2C=C1	REAL300010785315	0	42	-1.0	-52.42	354.02	5.58	-46.84
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010785316	0	45	-1.0	-54.92	368.60	2.61	-52.31
CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Br	REAL300010785317	0	37	-1.0	-54.23	315.55	5.73	-48.50
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785318	0	40	-1.0	-57.08	339.58	5.94	-51.14
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010785319	0	42	-1.0	-51.62	349.24	1.86	-49.76
COC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010785320	0	40	-1.0	-49.79	346.42	4.92	-44.87
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785321	0	40	-1.0	-40.77	345.86	6.08	-34.69
COCCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785322	0	41	-1.0	-54.68	351.03	1.72	-52.96
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010785323	0	47	-1.0	-56.42	379.14	6.59	-49.83
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785324	0	44	-1.0	-47.48	362.26	6.15	-41.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010785325	0	39	-1.0	-70.63	339.61	4.32	-66.31
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010785326	0	41	-1.0	-52.23	352.45	5.26	-46.97
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785327	0	36	-1.0	-47.57	335.25	5.31	-42.26
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010785328	0	35	-1.0	-55.91	307.55	4.80	-51.11
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785329	0	48	-1.0	-55.82	397.17	4.61	-51.21
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785330	0	50	-1.0	-53.29	406.80	6.76	-46.53
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785331	0	36	-1.0	-66.23	327.99	6.45	-59.78
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010785332	0	40	-1.0	-53.95	349.97	4.80	-49.15
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010785333	0	40	-1.0	-50.17	369.00	5.64	-44.53
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785334	0	44	-1.0	-58.33	366.44	5.48	-52.85
COC(=O)C1=CSC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785335	0	37	-1.0	-52.69	338.67	3.83	-48.86
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785336	0	46	-1.0	-45.37	375.80	6.18	-39.19
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1C	REAL300010785337	0	43	-1.0	-51.88	361.15	5.35	-46.53
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785338	0	40	-1.0	-45.44	353.02	5.04	-40.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010785339	0	44	-1.0	-56.11	342.37	6.61	-49.50
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010785340	0	40	-1.0	-59.97	338.63	5.99	-53.98
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010785341	0	33	-1.0	-49.06	307.22	2.91	-46.15
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785342	0	38	-1.0	-52.35	347.51	5.61	-46.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010785343	0	34	-1.0	-51.39	318.10	4.81	-46.58
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010785344	0	41	-1.0	-65.58	355.32	1.99	-63.59
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785345	0	37	-1.0	-41.98	327.57	5.77	-36.21
COC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010785346	0	38	-1.0	-50.83	341.01	4.12	-46.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010785347	0	45	-1.0	-53.77	368.11	5.38	-48.39
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010785348	0	42	-1.0	-56.31	369.25	0.95	-55.36
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1OC	REAL300010785349	0	51	-1.0	-60.43	421.80	3.34	-57.09
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785350	0	38	-1.0	-44.08	340.19	4.39	-39.69
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785351	0	43	-1.0	-58.00	373.02	2.60	-55.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010785352	0	36	-1.0	-50.06	339.36	4.07	-45.99
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785353	0	39	-1.0	-60.95	336.49	4.92	-56.03
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010785354	0	35	-1.0	-49.93	332.53	5.15	-44.78
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300010785355	0	41	-1.0	-54.50	362.10	5.04	-49.46
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010785356	0	39	-1.0	-49.64	341.11	-0.47	-50.11
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010785357	0	48	-1.0	-52.71	403.40	6.10	-46.61
COC(=O)CC1(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785358	0	43	-1.0	-55.66	355.92	4.70	-50.96
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785359	0	39	-1.0	-60.27	336.93	4.38	-55.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010785360	0	39	-1.0	-54.27	326.27	3.44	-50.83
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010785361	0	42	-1.0	-62.14	353.89	5.44	-56.70
CC(C)C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010785362	0	40	-1.0	-62.64	327.08	0.35	-62.29
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010785363	0	44	-1.0	-54.13	371.26	5.10	-49.03
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010785364	0	39	-1.0	-54.83	339.48	4.34	-50.49
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010785365	0	44	-1.0	-54.13	347.32	5.59	-48.54
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785366	0	42	-1.0	-61.69	367.27	0.29	-61.40
CC(C)C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010785367	0	36	-1.0	-62.43	317.97	-0.59	-63.02
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785368	0	43	-1.0	-51.01	362.50	6.45	-44.56
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010785369	0	38	-1.0	-55.58	327.15	4.77	-50.81
CSC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785370	0	38	-1.0	-52.81	330.71	5.14	-47.67
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785371	0	46	-1.0	-51.45	389.21	6.53	-44.92
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785372	0	40	-1.0	-59.03	353.48	5.88	-53.15
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785373	0	45	-1.0	-39.45	368.79	6.16	-33.29
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010785374	0	33	-1.0	-53.24	307.62	3.03	-50.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010785375	0	40	-1.0	-48.25	333.96	4.40	-43.85
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010785376	0	39	-1.0	-55.39	316.18	4.12	-51.27
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785377	0	37	-1.0	-41.03	328.42	5.70	-35.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010785378	0	42	-1.0	-55.00	350.33	3.30	-51.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010785379	0	50	-1.0	-57.07	406.06	5.12	-51.95
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OCC	REAL300010785380	0	48	-1.0	-54.68	393.28	5.22	-49.46
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010785381	0	40	-1.0	-53.61	341.72	3.31	-50.30
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785382	0	40	-1.0	-51.25	325.21	3.01	-48.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010785383	0	39	-1.0	-56.83	345.11	-0.87	-57.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010785384	0	45	-1.0	-63.55	368.39	5.25	-58.30
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010785385	0	48	-1.0	-64.70	382.62	5.72	-58.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C	REAL300010785386	0	42	-1.0	-59.30	351.62	6.15	-53.15
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785387	0	40	-1.0	-51.85	345.03	4.81	-47.04
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010785388	0	45	-1.0	-58.72	371.01	5.27	-53.45
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785389	0	41	-1.0	-54.54	347.08	2.40	-52.14
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010785390	0	38	-1.0	-54.68	325.59	0.93	-53.75
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2CC1C	REAL300010785391	0	48	-1.0	-63.26	385.63	5.72	-57.54
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CS1	REAL300010785392	0	37	-1.0	-46.91	333.70	4.74	-42.17
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785393	0	37	-1.0	-51.69	338.69	3.96	-47.73
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785394	0	38	-1.0	-53.32	347.54	5.35	-47.97
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785395	0	40	-1.0	-66.88	342.99	3.04	-63.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010785396	0	40	-1.0	-58.26	346.95	1.14	-57.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010785397	0	40	-1.0	-55.93	341.29	1.36	-54.57
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010785398	0	40	-1.0	-53.85	352.18	1.84	-52.01
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C2N=C1	REAL300010785399	0	42	-1.0	-52.82	356.35	5.66	-47.16
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010785400	0	40	-1.0	-65.16	326.48	5.00	-60.16
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785401	0	38	-1.0	-54.31	334.02	4.57	-49.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010785402	0	38	-1.0	-58.41	333.94	4.99	-53.42
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010785403	0	39	-1.0	-57.19	344.89	-0.92	-58.11
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785404	0	40	-1.0	-55.24	345.43	4.78	-50.46
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010785405	0	46	-1.0	-61.24	399.88	2.02	-59.22
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010785406	0	39	-1.0	-57.06	342.58	5.59	-51.47
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010785407	0	37	-1.0	-55.92	320.77	4.99	-50.93
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Cl)=C1	REAL300010785408	0	37	-1.0	-56.97	316.71	5.16	-51.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010785409	0	40	-1.0	-62.10	345.88	0.54	-61.56
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010785410	0	40	-1.0	-59.04	351.03	1.67	-57.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010785411	0	41	-1.0	-55.93	356.48	3.38	-52.55
CC(C)C[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010785412	0	42	-1.0	-55.84	354.22	6.17	-49.67
CC1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785413	0	37	-1.0	-40.36	313.49	5.13	-35.23
CC(C)C[C@@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010785414	0	43	-1.0	-41.16	344.78	5.49	-35.67
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CN=C12	REAL300010785415	0	42	-1.0	-54.76	343.69	5.23	-49.53
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010785416	0	40	-1.0	-52.78	345.20	4.10	-48.68
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010785417	0	39	-1.0	-54.98	338.07	5.63	-49.35
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785418	0	42	-1.0	-67.88	333.23	6.81	-61.07
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1	REAL300010785419	0	48	-1.0	-35.46	352.47	4.72	-30.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010785420	0	38	-1.0	-49.91	336.65	3.92	-45.99
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010785421	0	45	-1.0	-55.97	385.92	2.15	-53.82
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010785422	0	34	-1.0	-52.36	301.80	4.52	-47.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785423	0	36	-1.0	-56.60	324.95	6.31	-50.29
CC(C)C[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010785424	0	46	-1.0	-66.89	377.19	3.51	-63.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010785425	0	44	-1.0	-59.60	348.54	7.97	-51.63
CC(C)C[C@@H](NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300010785426	0	45	-1.0	-53.11	346.71	4.32	-48.79
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785427	0	43	-1.0	-54.67	367.50	5.76	-48.91
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785428	0	48	-1.0	-59.31	377.62	4.86	-54.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010785429	0	34	-1.0	-50.87	307.59	4.70	-46.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010785430	0	34	-1.0	-50.67	312.15	4.81	-45.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010785431	0	36	-1.0	-49.63	319.37	4.83	-44.80
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010785432	0	40	-1.0	-55.44	336.97	6.43	-49.01
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785433	0	41	-1.0	-58.54	346.71	3.01	-55.53
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785434	0	39	-1.0	-40.83	332.73	5.68	-35.15
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785435	0	38	-1.0	-53.18	319.77	3.44	-49.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785436	0	36	-1.0	-60.72	308.40	5.74	-54.98
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785437	0	41	-1.0	-56.81	352.88	5.79	-51.02
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785438	0	41	-1.0	-53.75	341.69	4.37	-49.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010785439	0	34	-1.0	-50.36	305.96	4.45	-45.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010785440	0	34	-1.0	-49.21	303.67	4.32	-44.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010785441	0	40	-1.0	-53.71	335.34	3.33	-50.38
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010785442	0	43	-1.0	-53.84	341.47	6.53	-47.31
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785443	0	49	-1.0	-44.23	383.30	7.39	-36.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010785444	0	34	-1.0	-51.31	323.02	5.13	-46.18
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010785445	0	34	-1.0	-52.10	303.80	4.27	-47.83
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010785446	0	34	-1.0	-52.73	311.99	5.01	-47.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785447	0	37	-1.0	-51.03	329.15	5.15	-45.88
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010785448	0	37	-1.0	-60.17	305.01	5.34	-54.83
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785449	0	37	-1.0	-52.22	343.00	5.58	-46.64
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010785450	0	34	-1.0	-51.49	307.83	4.68	-46.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010785451	0	37	-1.0	-52.90	335.27	6.04	-46.86
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785452	0	39	-1.0	-53.69	333.26	4.62	-49.07
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010785453	0	34	-1.0	-51.07	313.44	4.74	-46.33
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785454	0	39	-1.0	-59.75	333.42	4.60	-55.15
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2)=CO1	REAL300010785455	0	43	-1.0	-55.56	366.73	3.22	-52.34
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010785456	0	33	-1.0	-46.52	317.99	3.26	-43.26
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010785457	0	37	-1.0	-56.95	322.94	4.69	-52.26
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785458	0	38	-1.0	-55.83	324.90	3.75	-52.08
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010785459	0	43	-1.0	-56.50	377.46	6.58	-49.92
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785460	0	43	-1.0	-59.86	367.31	5.59	-54.27
CC(C)C[C@@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010785461	0	41	-1.0	-56.48	328.20	5.89	-50.59
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N2)C=C1	REAL300010785462	0	44	-1.0	-52.13	373.87	5.92	-46.21
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C21	REAL300010785463	0	45	-1.0	-74.95	371.35	5.29	-69.66
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010785464	0	35	-1.0	-66.71	313.43	4.40	-62.31
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785465	0	38	-1.0	-58.14	319.09	5.15	-52.99
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010785466	0	48	-1.0	-57.42	391.91	4.02	-53.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010785467	0	42	-1.0	-50.70	365.06	5.28	-45.42
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010785468	0	39	-1.0	-49.15	334.87	5.32	-43.83
COC(=O)C1=COC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785469	0	37	-1.0	-54.24	333.08	3.04	-51.20
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785470	0	45	-1.0	-58.38	379.70	4.87	-53.51
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010785471	0	36	-1.0	-51.86	322.45	3.64	-48.22
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785472	0	44	-1.0	-63.98	358.33	4.38	-59.60
COC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])SC=C1	REAL300010785473	0	35	-1.0	-59.45	310.67	3.20	-56.25
CC(=O)NC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1C	REAL300010785474	0	44	-1.0	-62.66	365.28	3.94	-58.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010785475	0	46	-1.0	-56.30	364.60	4.71	-51.59
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN=C1Cl	REAL300010785476	0	36	-1.0	-48.10	321.56	3.39	-44.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010785477	0	40	-1.0	-54.77	342.53	3.19	-51.58
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010785478	0	43	-1.0	-54.98	363.71	5.80	-49.18
CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C#N	REAL300010785479	0	38	-1.0	-50.06	327.99	5.27	-44.79
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785480	0	42	-1.0	-56.11	349.83	2.78	-53.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010785481	0	40	-1.0	-58.22	339.43	5.49	-52.73
CCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1CC	REAL300010785482	0	46	-1.0	-55.30	368.37	6.73	-48.57
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785483	0	42	-1.0	-47.78	347.39	6.42	-41.36
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C)O1	REAL300010785484	0	40	-1.0	-55.49	342.04	4.12	-51.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010785485	0	35	-1.0	-46.45	303.13	1.44	-45.01
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785486	0	36	-1.0	-60.70	310.77	2.86	-57.84
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC(C)=C1F	REAL300010785487	0	40	-1.0	-50.90	337.61	5.47	-45.43
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010785488	0	42	-1.0	-60.87	350.78	2.62	-58.25
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010785489	0	41	-1.0	-54.52	352.36	4.21	-50.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010785490	0	34	-1.0	-48.96	313.55	4.74	-44.22
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010785491	0	33	-1.0	-49.29	302.65	2.80	-46.49
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010785492	0	45	-1.0	-56.59	373.01	5.95	-50.64
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010785493	0	37	-1.0	-56.99	336.60	5.46	-51.53
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010785494	0	39	-1.0	-54.89	333.14	0.27	-54.62
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785495	0	37	-1.0	-52.57	313.63	5.77	-46.80
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785496	0	45	-1.0	-62.98	361.80	4.78	-58.20
CNC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010785497	0	42	-1.0	-55.02	355.31	1.73	-53.29
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010785498	0	44	-1.0	-52.94	349.97	5.12	-47.82
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010785499	0	42	-1.0	-43.65	360.27	4.41	-39.24
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785500	0	43	-1.0	-59.04	369.17	5.59	-53.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010785501	0	45	-1.0	-56.39	366.64	4.28	-52.11
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785502	0	43	-1.0	-64.75	369.07	5.52	-59.23
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])O1	REAL300010785503	0	40	-1.0	-53.75	355.04	4.06	-49.69
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010785504	0	45	-1.0	-54.78	374.75	8.24	-46.54
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785505	0	44	-1.0	-59.65	376.81	5.10	-54.55
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785506	0	47	-1.0	-55.91	397.15	5.22	-50.69
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785507	0	44	-1.0	-56.31	355.19	5.12	-51.19
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010785508	0	38	-1.0	-57.02	329.00	4.49	-52.53
CCOC(=O)CCCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785509	0	42	-1.0	-62.33	353.65	4.39	-57.94
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010785510	0	37	-1.0	-57.37	325.61	6.20	-51.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785511	0	36	-1.0	-60.56	317.72	6.35	-54.21
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785512	0	39	-1.0	-59.20	325.53	6.43	-52.77
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010785513	0	36	-1.0	-37.93	335.59	5.68	-32.25
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010785514	0	31	-1.0	-56.51	295.04	3.52	-52.99
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010785515	0	38	-1.0	-42.64	328.23	4.64	-38.00
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010785516	0	42	-1.0	-55.48	335.45	5.25	-50.23
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010785517	0	36	-1.0	-56.13	326.08	3.56	-52.57
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010785518	0	42	-1.0	-45.86	357.88	3.58	-42.28
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010785519	0	39	-1.0	-56.67	327.82	4.76	-51.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010785520	0	33	-1.0	-40.75	324.32	3.67	-37.08
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010785521	0	36	-1.0	-41.06	328.60	5.10	-35.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010785522	0	36	-1.0	-49.69	334.81	5.28	-44.41
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785523	0	43	-1.0	-61.05	373.59	2.91	-58.14
CCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010785524	0	39	-1.0	-53.85	341.02	5.01	-48.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785525	0	36	-1.0	-49.11	324.06	6.04	-43.07
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785526	0	36	-1.0	-51.95	325.30	4.86	-47.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785527	0	41	-1.0	-55.56	361.26	4.83	-50.73
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785528	0	36	-1.0	-56.39	329.50	6.41	-49.98
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010785529	0	48	-1.0	-53.80	402.22	7.45	-46.35
CC(C)C[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010785530	0	49	-1.0	-64.08	367.73	6.63	-57.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010785531	0	42	-1.0	-59.37	376.63	0.98	-58.39
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785532	0	42	-1.0	-59.40	354.04	5.45	-53.95
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785533	0	47	-1.0	-43.76	376.48	3.16	-40.60
COC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010785534	0	43	-1.0	-57.33	361.86	5.09	-52.24
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010785535	0	44	-1.0	-56.72	377.27	5.67	-51.05
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785536	0	56	-1.0	-41.96	431.24	7.28	-34.68
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010785537	0	42	-1.0	-61.01	364.40	0.88	-60.13
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010785538	0	37	-1.0	-58.27	320.41	4.97	-53.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010785539	0	40	-1.0	-62.97	356.24	1.69	-61.28
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(F)C=C1F	REAL300010785540	0	37	-1.0	-41.75	324.95	5.08	-36.67
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785541	0	41	-1.0	-44.47	360.44	5.36	-39.11
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010785542	0	46	-1.0	-54.69	381.77	5.69	-49.00
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2F)N=C1	REAL300010785543	0	44	-1.0	-53.27	375.01	6.18	-47.09
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785544	0	41	-1.0	-56.79	351.35	2.94	-53.85
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785545	0	41	-1.0	-60.07	354.60	-1.04	-61.11
CC1=CC(F)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785546	0	37	-1.0	-42.30	325.14	5.11	-37.19
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785547	0	39	-1.0	-51.04	340.98	5.74	-45.30
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010785548	0	40	-1.0	-52.00	339.68	5.78	-46.22
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010785549	0	31	-1.0	-48.26	310.22	4.83	-43.43
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010785550	0	46	-1.0	-56.65	386.89	6.23	-50.42
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010785551	0	34	-1.0	-61.41	294.16	4.10	-57.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010785552	0	34	-1.0	-53.81	321.13	4.99	-48.82
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300010785553	0	40	-1.0	-51.03	345.08	5.65	-45.38
CC(C)C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010785554	0	40	-1.0	-55.48	350.90	5.60	-49.88
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C12	REAL300010785555	0	42	-1.0	-52.82	356.69	3.78	-49.04
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785556	0	41	-1.0	-58.28	359.64	4.79	-53.49
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010785557	0	37	-1.0	-54.32	341.36	5.55	-48.77
CC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C12	REAL300010785558	0	38	-1.0	-52.94	330.21	1.05	-51.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010785559	0	43	-1.0	-56.54	372.08	6.98	-49.56
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010785560	0	36	-1.0	-56.13	326.08	3.56	-52.57
CC(C)C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010785561	0	36	-1.0	-39.74	338.94	5.76	-33.98
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785562	0	40	-1.0	-63.99	330.05	5.75	-58.24
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010785563	0	37	-1.0	-55.85	327.99	5.37	-50.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010785564	0	46	-1.0	-69.73	386.89	2.66	-67.07
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785565	0	41	-1.0	-55.36	360.36	4.71	-50.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010785566	0	34	-1.0	-52.54	316.57	5.12	-47.42
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010785567	0	42	-1.0	-49.24	360.04	1.47	-47.77
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010785568	0	43	-1.0	-53.97	372.28	5.76	-48.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010785569	0	42	-1.0	-57.27	352.81	4.89	-52.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010785570	0	37	-1.0	-52.67	346.80	6.10	-46.57
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010785571	0	40	-1.0	-58.24	360.65	7.11	-51.13
CC(C)C[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010785572	0	37	-1.0	-57.91	341.76	6.08	-51.83
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010785573	0	40	-1.0	-59.64	335.83	6.86	-52.78
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010785574	0	40	-1.0	-47.32	352.38	7.24	-40.08
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C2O1	REAL300010785575	0	48	-1.0	-56.19	404.15	6.36	-49.83
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010785576	0	40	-1.0	-57.13	355.95	1.73	-55.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010785577	0	47	-1.0	-60.72	398.55	5.72	-55.00
CC(C)C[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010785578	0	45	-1.0	-59.87	390.24	1.25	-58.62
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010785579	1	35	-1.0	-54.42	318.77	4.82	-49.60
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1N(C)C	REAL300010785580	0	45	-1.0	-53.10	365.85	4.85	-48.25
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010785581	0	34	-1.0	-49.20	307.91	3.05	-46.15
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785582	0	39	-1.0	-55.92	345.93	5.97	-49.95
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010785583	0	34	-1.0	-58.10	307.22	3.80	-54.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010785584	0	37	-1.0	-57.18	326.61	5.15	-52.03
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785585	0	40	-1.0	-55.71	349.96	6.16	-49.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785586	0	46	-1.0	-52.07	369.33	4.62	-47.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010785587	0	39	-1.0	-53.67	326.54	3.99	-49.68
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010785588	0	40	-1.0	-59.15	351.80	1.69	-57.46
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785589	0	48	-1.0	-56.77	383.06	4.81	-51.96
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785590	0	42	-1.0	-66.14	344.33	5.81	-60.33
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010785591	0	37	-1.0	-71.46	321.80	3.46	-68.00
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785592	0	44	-1.0	-58.39	367.83	3.87	-54.52
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010785593	0	37	-1.0	-57.56	336.55	5.47	-52.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785594	0	35	-1.0	-56.93	304.58	4.80	-52.13
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785595	0	43	-1.0	-60.33	358.87	6.02	-54.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010785596	0	34	-1.0	-52.54	301.81	4.52	-48.02
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785597	0	53	-1.0	-66.15	419.24	7.67	-58.48
CC(C)C[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010785598	0	37	-1.0	-56.85	341.65	5.77	-51.08
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785599	0	41	-1.0	-61.68	358.84	3.53	-58.15
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010785600	0	42	-1.0	-53.32	347.28	4.76	-48.56
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785601	0	38	-1.0	-41.39	349.41	5.17	-36.22
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785602	0	46	-1.0	-60.40	367.97	2.85	-57.55
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CS1	REAL300010785603	0	37	-1.0	-59.15	338.44	3.86	-55.29
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785604	0	43	-1.0	-44.71	376.37	6.82	-37.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010785605	0	45	-1.0	-53.38	396.59	7.51	-45.87
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1C	REAL300010785606	0	43	-1.0	-46.90	358.67	5.77	-41.13
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785607	0	36	-1.0	-51.37	339.93	5.44	-45.93
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785608	0	38	-1.0	-49.31	349.21	4.99	-44.32
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785609	0	46	-1.0	-55.20	367.96	4.59	-50.61
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785610	0	36	-1.0	-51.26	318.87	4.79	-46.47
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2)=C1	REAL300010785611	0	48	-1.0	-52.32	401.03	7.69	-44.63
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785612	0	41	-1.0	-47.58	344.49	4.88	-42.70
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010785613	0	38	-1.0	-57.64	335.10	5.27	-52.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010785614	0	37	-1.0	-52.18	322.07	1.65	-50.53
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010785615	0	42	-1.0	-55.46	353.95	4.58	-50.88
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010785616	0	34	-1.0	-50.56	318.64	5.28	-45.28
COC(=O)C1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785617	0	45	-1.0	-54.33	359.75	3.77	-50.56
COC1=C(C)C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785618	0	44	-1.0	-52.84	364.43	5.07	-47.77
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010785619	0	43	-1.0	-61.73	372.99	5.12	-56.61
COCC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785620	0	41	-1.0	-55.58	345.72	3.85	-51.73
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010785621	0	34	-1.0	-55.91	321.89	4.13	-51.78
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010785622	0	43	-1.0	-57.66	369.33	6.06	-51.60
CC(C)C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010785623	0	40	-1.0	-56.35	344.40	5.57	-50.78
CC(C)C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010785624	0	40	-1.0	-54.78	360.99	6.10	-48.68
CC(C)C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010785625	0	37	-1.0	-54.17	329.19	2.37	-51.80
CC1=NC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2O1	REAL300010785626	0	39	-1.0	-52.88	334.48	1.83	-51.05
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785627	0	46	-1.0	-54.09	346.29	7.32	-46.77
CC1=CC(Br)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785629	0	34	-1.0	-54.49	309.24	4.54	-49.95
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010785630	0	39	-1.0	-48.47	358.30	5.27	-43.20
CC1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785631	0	43	-1.0	-57.80	353.16	6.09	-51.71
CC1=C(Br)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=N1	REAL300010785632	1	33	-1.0	-48.23	318.49	2.38	-45.85
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785633	0	39	-1.0	-46.21	334.24	5.46	-40.75
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010785634	0	38	-1.0	-52.49	343.55	3.04	-49.45
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785635	0	39	-1.0	-66.90	334.68	6.06	-60.84
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785636	0	42	-1.0	-67.24	355.50	6.10	-61.14
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010785637	0	42	-1.0	-58.27	364.33	6.34	-51.93
CC1=NN2C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=NC2=C1Cl	REAL300010785638	0	39	-1.0	-48.87	345.07	3.73	-45.14
CCCN1C=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785639	0	40	-1.0	-62.86	340.98	5.20	-57.66
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)NC1=O	REAL300010785640	0	52	-1.0	-52.33	430.62	5.12	-47.21
CC(C)C[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010785642	0	37	-1.0	-60.02	325.24	4.95	-55.07
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010785643	0	45	-1.0	-55.90	379.49	6.29	-49.61
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010785644	0	38	-1.0	-59.47	340.68	5.34	-54.13
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010785645	0	39	-1.0	-47.19	343.70	5.46	-41.73
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785646	0	40	-1.0	-55.59	339.61	5.71	-49.88
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010785647	0	48	-1.0	-53.20	396.54	5.36	-47.84
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010785648	0	37	-1.0	-72.02	331.74	4.16	-67.86
CC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785649	0	37	-1.0	-52.61	313.23	5.02	-47.59
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785650	0	37	-1.0	-54.19	317.62	5.68	-48.51
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010785651	0	37	-1.0	-54.57	326.48	4.99	-49.58
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785652	0	45	-1.0	-55.45	391.06	1.79	-53.66
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010785653	0	33	-1.0	-55.00	305.81	3.40	-51.60
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010785654	0	45	-1.0	-52.31	378.65	5.25	-47.06
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010785655	0	37	-1.0	-53.15	348.19	5.96	-47.19
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010785656	0	42	-1.0	-74.71	362.53	2.99	-71.72
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785657	0	33	-1.0	-47.90	307.40	3.09	-44.81
CCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])N=C1C	REAL300010785658	0	40	-1.0	-60.98	332.75	4.76	-56.22
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785659	0	39	-1.0	-51.73	341.86	2.91	-48.82
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010785660	0	37	-1.0	-49.67	360.59	1.45	-48.22
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010785661	0	42	-1.0	-54.44	344.11	4.78	-49.66
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010785662	0	44	-1.0	-53.70	360.64	5.06	-48.64
CC1=C(C)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785663	0	37	-1.0	-55.13	322.79	4.51	-50.62
COCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785664	0	41	-1.0	-54.86	346.04	3.92	-50.94
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010785665	0	43	-1.0	-63.78	380.80	4.07	-59.71
CC(C)C[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010785666	0	45	-1.0	-60.90	369.72	11.37	-49.53
CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010785667	0	37	-1.0	-43.33	318.42	5.79	-37.54
CC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010785668	0	39	-1.0	-49.65	347.05	5.16	-44.49
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010785669	0	45	-1.0	-53.84	396.24	3.09	-50.75
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300010785670	0	47	-1.0	-55.38	389.19	6.81	-48.57
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010785671	0	38	-1.0	-55.30	349.53	5.67	-49.63
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010785672	0	43	-1.0	-67.24	359.73	7.97	-59.27
CC(C)C[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010785673	0	43	-1.0	-51.83	336.72	2.38	-49.45
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010785674	0	37	-1.0	-55.14	317.31	2.83	-52.31
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010785675	0	42	-1.0	-67.23	342.89	6.02	-61.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010785676	0	40	-1.0	-42.64	337.30	6.16	-36.48
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010785677	0	47	-1.0	-66.67	380.86	5.35	-61.32
CC(C)C[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010785678	0	46	-1.0	-57.43	364.17	1.12	-56.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010785679	0	40	-1.0	-50.56	359.49	2.19	-48.37
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785680	0	43	-1.0	-51.63	373.70	5.77	-45.86
COCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785681	0	41	-1.0	-44.52	339.17	4.40	-40.12
CCC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010785682	0	43	-1.0	-56.41	372.74	4.43	-51.98
CC(C)C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010785683	0	51	-1.0	-58.92	396.86	6.49	-52.43
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785684	0	47	-1.0	-54.93	404.51	5.73	-49.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010785685	0	35	-1.0	-50.32	322.26	5.00	-45.32
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785686	0	38	-1.0	-40.92	342.97	5.27	-35.65
CC(C)C[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010785687	0	41	-1.0	-60.98	330.57	4.99	-55.99
CC(C)C[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010785688	0	39	-1.0	-62.62	337.35	4.24	-58.38
CC(C)C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010785689	0	54	-1.0	-56.65	413.18	5.77	-50.88
CC(C)C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010785690	0	48	-1.0	-54.47	380.89	4.29	-50.18
CC(C)C[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010785691	0	45	-1.0	-60.53	388.78	5.04	-55.49
CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010785692	0	37	-1.0	-60.89	308.25	4.69	-56.20
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785693	0	40	-1.0	-51.28	339.92	1.72	-49.56
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010785694	0	36	-1.0	-50.65	325.71	3.34	-47.31
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010785695	1	36	-1.0	-53.49	331.22	1.96	-51.53
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785696	0	40	-1.0	-52.08	351.84	4.85	-47.23
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010786001	0	49	-1.0	-48.06	405.32	1.93	-46.13
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010786002	0	42	-1.0	-58.93	340.97	5.46	-53.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010786003	0	41	-1.0	-60.66	356.22	2.02	-58.64
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010786004	0	34	-1.0	-51.47	313.45	4.74	-46.73
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])SC(Br)=C1	REAL300010786005	0	34	-1.0	-52.55	315.47	4.22	-48.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010786006	0	43	-1.0	-50.07	349.27	5.13	-44.94
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786007	0	44	-1.0	-59.19	356.80	3.48	-55.71
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010786008	0	40	-1.0	-55.70	342.52	5.73	-49.97
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010786009	0	40	-1.0	-58.82	341.43	5.73	-53.09
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010786010	0	40	-1.0	-58.02	348.43	6.02	-52.00
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786011	0	38	-1.0	-51.94	337.98	4.91	-47.03
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)NCCC2	REAL300010786012	0	49	-1.0	-70.02	385.97	3.73	-66.29
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S2)C1	REAL300010786013	0	45	-1.0	-59.63	381.06	4.62	-55.01
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010786014	0	41	-1.0	-55.50	365.56	6.80	-48.70
COC1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010786015	0	43	-1.0	-54.67	339.60	2.27	-52.40
COC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1CCOC1	REAL300010786016	0	45	-1.0	-54.43	355.43	1.89	-52.54
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010786017	0	37	-1.0	-55.11	337.35	5.50	-49.61
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010786018	0	37	-1.0	-55.80	334.11	5.39	-50.41
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010786019	0	34	-1.0	-49.34	328.68	5.26	-44.08
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786020	0	41	-1.0	-59.87	346.78	1.62	-58.25
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786021	0	59	-1.0	-53.20	471.30	9.10	-44.10
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786022	0	49	-1.0	-55.31	400.45	6.47	-48.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010786023	0	34	-1.0	-51.20	317.86	4.85	-46.35
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010786024	0	40	-1.0	-55.58	349.70	4.83	-50.75
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010786025	0	48	-1.0	-57.18	399.02	7.23	-49.95
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010786026	0	48	-1.0	-56.90	408.05	7.48	-49.42
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010786027	0	33	-1.0	-59.74	296.06	3.58	-56.16
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C2)=N1	REAL300010786028	0	46	-1.0	-47.17	385.10	4.18	-42.99
COC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010786029	0	44	-1.0	-55.32	372.68	5.28	-50.04
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010786030	0	46	-1.0	-55.19	374.74	5.55	-49.64
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])N(C)N=C1	REAL300010786031	0	40	-1.0	-58.13	337.35	3.11	-55.02
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010786032	0	42	-1.0	-53.40	371.56	2.96	-50.44
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010786033	0	46	-1.0	-55.55	373.11	7.24	-48.31
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010786034	0	45	-1.0	-54.42	376.10	3.33	-51.09
CCOC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1CC1	REAL300010786035	0	44	-1.0	-58.08	354.64	4.50	-53.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010786036	0	40	-1.0	-45.58	353.35	5.44	-40.14
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(Cl)C=C21	REAL300010786037	0	45	-1.0	-55.93	382.69	6.36	-49.57
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786038	0	47	-1.0	-53.88	380.81	5.84	-48.04
COC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1CCCC1	REAL300010786039	0	47	-1.0	-53.51	364.09	4.42	-49.09
COC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1CCCCC1	REAL300010786040	0	50	-1.0	-53.72	380.70	4.95	-48.77
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010786041	0	37	-1.0	-51.68	330.96	3.72	-47.96
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010786042	0	53	-1.0	-54.18	422.59	7.20	-46.98
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010786043	0	37	-1.0	-64.54	343.12	4.07	-60.47
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786044	0	38	-1.0	-53.97	323.69	4.13	-49.84
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010786045	0	42	-1.0	-55.40	345.06	6.73	-48.67
CC(C)C[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010786046	0	41	-1.0	-50.76	331.58	3.75	-47.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010786047	0	47	-1.0	-51.34	396.02	6.46	-44.88
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])O1	REAL300010786048	0	40	-1.0	-54.04	351.29	3.70	-50.34
CCC1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1CC1CC1	REAL300010786049	0	47	-1.0	-63.09	392.41	6.39	-56.70
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2C1	REAL300010786050	0	45	-1.0	-63.48	375.84	4.75	-58.73
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010786051	0	37	-1.0	-47.39	332.52	2.85	-44.54
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010786052	0	45	-1.0	-56.60	391.02	8.25	-48.35
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786053	0	37	-1.0	-46.62	328.18	5.45	-41.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010786054	0	44	-1.0	-59.76	347.29	7.95	-51.81
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786055	0	40	-1.0	-57.57	352.35	6.10	-51.47
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786056	0	41	-1.0	-59.16	358.92	4.83	-54.33
CC(C)C[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010786057	0	40	-1.0	-58.13	346.12	5.74	-52.39
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1F	REAL300010786058	0	37	-1.0	-46.41	320.63	5.47	-40.94
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010786059	0	33	-1.0	-56.30	305.38	2.52	-53.78
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010786060	0	43	-1.0	-51.32	355.56	3.12	-48.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010786061	0	40	-1.0	-51.40	355.65	2.85	-48.55
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010786062	0	41	-1.0	-60.23	366.18	3.43	-56.80
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])OC=C1	REAL300010786063	1	37	-1.0	-60.60	318.70	3.99	-56.61
CCC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C)C=C1OC	REAL300010786064	0	47	-1.0	-55.80	376.42	5.72	-50.08
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010786065	0	40	-1.0	-49.95	361.62	6.02	-43.93
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786066	0	42	-1.0	-59.14	359.79	5.20	-53.94
CC(C)C[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010786067	1	36	-1.0	-66.29	315.60	2.98	-63.31
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786068	0	37	-1.0	-46.91	337.30	5.87	-41.04
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010786069	0	43	-1.0	-60.31	340.09	7.11	-53.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010786070	0	41	-1.0	-53.08	362.70	4.80	-48.28
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010786071	0	38	-1.0	-62.37	324.37	5.46	-56.91
CC1=CC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C2NC1=O	REAL300010786072	0	43	-1.0	-54.42	361.67	3.86	-50.56
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010786073	0	39	-1.0	-59.22	334.90	2.61	-56.61
CC1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010786074	0	43	-1.0	-62.15	365.06	6.21	-55.94
CC(C)C[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010786075	0	34	-1.0	-50.92	300.48	2.04	-48.88
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010786076	0	39	-1.0	-42.54	347.26	5.74	-36.80
CC(C)C[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010786077	0	40	-1.0	-48.97	336.08	5.32	-43.65
CC(C)C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010786079	1	50	-1.0	-57.00	389.73	1.02	-55.98
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010786080	0	34	-1.0	-49.91	304.13	2.47	-47.44
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786081	0	38	-1.0	-61.37	325.81	5.17	-56.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010786082	0	43	-1.0	-51.63	360.41	2.64	-48.99
CCCCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=N1	REAL300010786083	0	46	-1.0	-46.56	381.02	5.06	-41.50
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(OC)C=C1F	REAL300010786084	0	44	-1.0	-54.03	369.97	4.96	-49.07
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786085	0	44	-1.0	-67.78	353.06	4.98	-62.80
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786086	0	38	-1.0	-53.44	327.97	4.19	-49.25
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010786087	0	50	-1.0	-54.37	400.24	6.39	-47.98
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010786088	0	46	-1.0	-50.62	368.87	6.38	-44.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010786089	0	35	-1.0	-50.54	318.09	4.64	-45.90
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010786090	0	37	-1.0	-53.57	334.63	5.40	-48.17
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010786091	0	53	-1.0	-56.62	415.86	8.71	-47.91
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010786092	0	38	-1.0	-62.13	315.75	4.28	-57.85
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010786093	0	31	-1.0	-59.10	288.16	2.91	-56.19
CC(C)C[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010786094	0	42	-1.0	-55.89	358.85	5.03	-50.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010786095	0	33	-1.0	-40.83	319.73	3.56	-37.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010786096	0	33	-1.0	-56.36	300.78	2.45	-53.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010786097	0	33	-1.0	-45.23	301.97	2.49	-42.74
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786098	0	37	-1.0	-43.67	342.33	2.17	-41.50
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010786099	0	39	-1.0	-53.31	345.77	4.99	-48.32
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010786100	0	36	-1.0	-50.62	330.12	4.01	-46.61
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010786101	0	44	-1.0	-47.03	381.74	5.61	-41.42
CC(C)C[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010786102	0	38	-1.0	-70.22	326.68	1.62	-68.60
CC(C)C[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010786103	0	37	-1.0	-53.73	331.98	5.02	-48.71
CC(C)C[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010786104	0	33	-1.0	-57.87	318.73	2.51	-55.36
CCS(=O)(CC)=NS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786105	0	40	-1.0	-70.02	340.20	1.94	-68.08
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010786106	0	36	-1.0	-55.02	325.40	5.54	-49.48
CC(C)C[C@@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010786107	0	42	-1.0	-45.19	338.92	3.95	-41.24
CCN1CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1=O	REAL300010786108	0	41	-1.0	-58.73	328.88	3.34	-55.39
CCOC(=O)C1(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CCC1	REAL300010786109	0	43	-1.0	-55.12	343.71	4.81	-50.31
CC(C)C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010786110	0	45	-1.0	-61.89	375.67	0.80	-61.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010786111	0	35	-1.0	-48.40	336.09	3.31	-45.09
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786112	0	43	-1.0	-59.04	369.17	5.59	-53.45
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010786113	1	37	-1.0	-53.85	333.60	5.68	-48.17
CC(C)C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010786114	0	37	-1.0	-42.45	322.60	2.87	-39.58
CC(C)C[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010786115	0	44	-1.0	-50.42	348.19	4.14	-46.28
CC(C)C[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010786116	0	31	-1.0	-51.46	292.79	4.16	-47.30
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010786117	0	46	-1.0	-57.23	358.80	4.24	-52.99
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010786118	0	44	-1.0	-54.11	358.94	4.43	-49.68
CC(C)C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010786119	0	37	-1.0	-45.51	322.26	3.20	-42.31
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010786120	0	34	-1.0	-56.38	305.59	2.53	-53.85
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010786121	0	36	-1.0	-49.30	325.96	3.28	-46.02
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786122	0	41	-1.0	-58.17	349.08	4.36	-53.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010786123	0	48	-1.0	-51.95	397.38	5.43	-46.52
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010786124	1	35	-1.0	-39.27	306.42	2.31	-36.96
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786125	0	44	-1.0	-53.91	368.12	6.96	-46.95
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786126	0	37	-1.0	-65.91	317.16	2.29	-63.62
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786127	0	37	-1.0	-46.77	337.30	5.87	-40.90
CCC1=NN(C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786128	0	40	-1.0	-53.17	337.36	3.17	-50.00
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010786129	0	39	-1.0	-61.45	338.37	4.72	-56.73
CC(C)C[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010786130	0	43	-1.0	-74.78	358.17	2.38	-72.40
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010786131	0	56	-1.0	-52.47	444.16	7.98	-44.49
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C#N)=C1	REAL300010786132	0	38	-1.0	-57.07	323.11	5.35	-51.72
CC1=CC=CC(C#N)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786133	0	38	-1.0	-67.77	322.58	5.33	-62.44
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010786134	0	37	-1.0	-52.86	326.96	5.04	-47.82
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010786135	0	45	-1.0	-58.16	370.94	4.63	-53.53
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010786136	0	38	-1.0	-53.20	341.85	5.96	-47.24
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(C)(C)C	REAL300010786137	0	56	-1.0	-54.56	435.21	7.88	-46.68
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1CC	REAL300010786138	0	50	-1.0	-53.93	405.07	6.63	-47.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010786139	0	41	-1.0	-59.80	354.91	6.11	-53.69
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786140	0	40	-1.0	-49.92	336.78	6.38	-43.54
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786141	0	48	-1.0	-55.32	394.21	4.03	-51.29
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010786142	0	37	-1.0	-54.64	345.64	5.90	-48.74
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010786143	0	37	-1.0	-55.18	337.27	5.49	-49.69
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010786144	0	44	-1.0	-62.27	372.36	6.11	-56.16
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786145	0	40	-1.0	-54.83	349.99	6.18	-48.65
CC1=CN=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786146	0	36	-1.0	-45.45	324.45	3.70	-41.75
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010786147	0	38	-1.0	-56.91	335.18	4.26	-52.65
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786148	0	44	-1.0	-56.33	365.08	6.45	-49.88
CC(C)C[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010786149	0	46	-1.0	-56.08	355.13	5.62	-50.46
CCOC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])N(C)N=C1	REAL300010786150	0	43	-1.0	-58.57	358.77	3.96	-54.61
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010786151	0	38	-1.0	-54.29	339.41	5.90	-48.39
CC(C)C[C@@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010786152	0	39	-1.0	-60.35	329.95	4.32	-56.03
CC(C)C[C@@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010786153	0	43	-1.0	-57.98	357.60	6.46	-51.52
CC(C)C[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010786154	0	39	-1.0	-58.26	319.71	1.62	-56.64
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010786155	0	38	-1.0	-59.42	332.22	-0.30	-59.72
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786156	0	43	-1.0	-56.79	344.32	6.73	-50.06
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC	REAL300010786157	0	46	-1.0	-58.49	396.79	5.80	-52.69
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786158	0	47	-1.0	-58.30	393.31	4.95	-53.35
CC(C)C[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010786159	0	43	-1.0	-61.53	352.60	4.88	-56.65
CC(C)C[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010786160	0	34	-1.0	-43.74	303.98	4.50	-39.24
COC(=O)C1=CC=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786161	0	39	-1.0	-58.93	333.52	3.94	-54.99
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010786162	0	40	-1.0	-55.06	342.28	5.77	-49.29
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786163	0	50	-1.0	-55.54	401.95	6.78	-48.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010786164	0	39	-1.0	-55.84	319.08	4.33	-51.51
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010786165	0	54	-1.0	-60.29	416.87	6.58	-53.71
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786166	0	41	-1.0	-52.20	349.74	4.72	-47.48
CC(C)C[C@@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010786167	0	32	-1.0	-42.71	302.47	3.65	-39.06
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010786168	0	48	-1.0	-54.83	386.22	4.20	-50.63
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010786169	0	49	-1.0	-65.50	401.78	6.81	-58.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C21	REAL300010786170	0	48	-1.0	-75.66	392.03	6.10	-69.56
COC1=NC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786171	0	37	-1.0	-47.71	320.78	1.60	-46.11
CCC1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010786172	0	45	-1.0	-54.10	345.09	4.36	-49.74
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010786174	0	41	-1.0	-54.57	341.65	3.82	-50.75
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010786175	0	41	-1.0	-49.65	333.43	4.10	-45.55
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010786176	0	44	-1.0	-49.33	349.84	4.86	-44.47
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010786177	0	46	-1.0	-47.41	385.53	7.23	-40.18
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786178	0	47	-1.0	-48.95	395.54	6.14	-42.81
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786179	0	44	-1.0	-58.86	362.86	4.90	-53.96
CC(C)C[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010786180	0	45	-1.0	-48.39	368.37	2.32	-46.07
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010786181	0	40	-1.0	-53.19	357.60	5.07	-48.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010786182	0	40	-1.0	-53.42	341.36	1.35	-52.07
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010786183	1	31	-1.0	-53.65	287.03	3.28	-50.37
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010786184	0	41	-1.0	-56.92	327.29	3.95	-52.97
COC1=C(F)C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010786185	0	38	-1.0	-48.52	336.27	3.69	-44.83
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010786186	0	38	-1.0	-42.49	334.12	3.77	-38.72
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010786187	0	59	-1.0	-53.85	465.34	8.78	-45.07
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010786188	0	50	-1.0	-57.26	394.41	6.17	-51.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010786189	0	44	-1.0	-44.97	365.14	6.18	-38.79
CC1=CSC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786190	0	37	-1.0	-52.50	313.60	4.79	-47.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010786191	0	42	-1.0	-46.81	345.21	4.82	-41.99
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010786192	0	42	-1.0	-51.77	360.13	3.86	-47.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010786193	0	42	-1.0	-56.30	359.10	6.39	-49.91
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786194	0	38	-1.0	-55.80	325.46	4.78	-51.02
CC1=C(Br)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C)S1	REAL300010786195	0	37	-1.0	-54.63	333.03	5.47	-49.16
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Br)=C1	REAL300010786196	0	37	-1.0	-55.44	336.23	6.16	-49.28
CCC1=CN=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786197	0	39	-1.0	-53.28	328.83	3.72	-49.56
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=N1	REAL300010786198	0	39	-1.0	-50.67	341.88	3.03	-47.64
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C21	REAL300010786199	0	51	-1.0	-72.06	398.84	6.11	-65.95
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010786200	0	40	-1.0	-58.20	340.61	4.65	-53.55
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C21	REAL300010786201	0	48	-1.0	-64.54	389.88	5.78	-58.76
CC(C)C[C@@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010786202	0	31	-1.0	-55.53	286.56	4.06	-51.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010786203	0	34	-1.0	-47.73	313.40	2.27	-45.46
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010786204	0	36	-1.0	-48.72	324.60	3.21	-45.51
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786205	0	39	-1.0	-62.54	328.33	3.56	-58.98
CC(C)C[C@@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010786206	0	43	-1.0	-53.77	331.12	3.96	-49.81
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010786207	0	38	-1.0	-59.09	336.71	4.92	-54.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010786208	0	35	-1.0	-49.93	305.16	2.94	-46.99
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010786209	0	37	-1.0	-65.14	338.56	3.97	-61.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010786210	0	37	-1.0	-55.96	329.38	5.59	-50.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010786211	0	41	-1.0	-48.15	340.20	4.16	-43.99
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1F	REAL300010786212	0	43	-1.0	-50.39	342.45	6.33	-44.06
COC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010786213	0	42	-1.0	-56.46	350.98	3.98	-52.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010786214	0	43	-1.0	-58.80	359.00	1.36	-57.44
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010786215	0	35	-1.0	-53.08	330.91	5.05	-48.03
CC(C)C[C@@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010786216	0	37	-1.0	-57.53	311.57	4.00	-53.53
COC1=CC=C(F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010786217	0	42	-1.0	-59.27	348.96	4.47	-54.80
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786218	1	37	-1.0	-51.18	352.56	3.70	-47.48
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010786219	0	47	-1.0	-47.89	381.40	5.18	-42.71
CC(C)C[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010786220	0	38	-1.0	-55.60	340.15	5.98	-49.62
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010786221	0	41	-1.0	-47.61	348.32	4.24	-43.37
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010786223	0	38	-1.0	-54.03	329.83	3.70	-50.33
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010786224	0	38	-1.0	-64.22	336.90	4.29	-59.93
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010786225	0	37	-1.0	-59.42	319.27	3.34	-56.08
CC(C)C[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010786226	0	39	-1.0	-55.55	335.30	3.15	-52.40
CC(C)C[C@@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010786227	0	37	-1.0	-57.53	311.57	4.00	-53.53
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300010786229	0	40	-1.0	-55.61	344.78	6.12	-49.49
CC(C)C[C@@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010786230	0	45	-1.0	-54.03	342.66	4.46	-49.57
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010786231	0	40	-1.0	-50.01	361.45	5.37	-44.64
CC(C)C[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010786232	0	37	-1.0	-45.69	328.61	4.76	-40.93
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010786233	0	44	-1.0	-47.40	364.00	4.68	-42.72
CC(C)C[C@@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010786234	0	42	-1.0	-53.22	350.23	4.18	-49.04
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010786235	0	52	-1.0	-57.53	403.65	8.06	-49.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010786236	0	40	-1.0	-51.00	362.31	6.04	-44.96
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010786237	0	31	-1.0	-53.51	288.27	3.56	-49.95
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010786238	0	44	-1.0	-51.62	361.89	4.64	-46.98
CC(C)C[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010786239	0	38	-1.0	-56.33	327.89	5.40	-50.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010786240	0	45	-1.0	-45.14	393.39	7.18	-37.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010786241	0	47	-1.0	-60.99	380.46	2.53	-58.46
COC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010786242	0	43	-1.0	-72.38	354.51	5.48	-66.90
CCCC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786243	0	43	-1.0	-54.55	355.49	6.37	-48.18
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786244	0	40	-1.0	-46.98	345.07	2.75	-44.23
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010786245	0	35	-1.0	-41.62	315.98	4.58	-37.04
CC(C)C[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010786246	0	41	-1.0	-51.38	335.93	3.59	-47.79
CC(C)C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010786247	0	38	-1.0	-47.85	347.30	5.51	-42.34
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010786248	0	46	-1.0	-55.93	391.83	7.07	-48.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010786249	0	43	-1.0	-44.65	334.14	4.38	-40.27
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010786250	0	43	-1.0	-52.02	356.37	3.84	-48.18
CC(C)C[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010786251	0	41	-1.0	-51.52	338.99	3.13	-48.39
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010786252	0	39	-1.0	-47.24	341.39	3.97	-43.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010786253	0	37	-1.0	-49.38	336.32	5.26	-44.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010786254	0	37	-1.0	-55.27	319.20	4.98	-50.29
CC(C)C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010786255	0	34	-1.0	-53.08	311.96	4.64	-48.44
CC(C)C[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010786256	0	34	-1.0	-48.45	322.67	4.29	-44.16
CC(C)C[C@@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010786257	0	39	-1.0	-51.09	316.39	3.25	-47.84
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786258	0	44	-1.0	-57.37	372.50	3.16	-54.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010786259	0	31	-1.0	-52.77	298.07	3.07	-49.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010786260	0	37	-1.0	-47.46	343.00	5.59	-41.87
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010786261	0	37	-1.0	-53.25	310.60	5.39	-47.86
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786262	0	45	-1.0	-59.15	375.67	6.19	-52.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010786263	0	45	-1.0	-56.49	362.18	7.33	-49.16
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010786264	0	44	-1.0	-55.07	370.63	5.83	-49.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010786265	0	40	-1.0	-52.07	356.34	5.29	-46.78
CC(C)C[C@@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010786266	0	40	-1.0	-52.47	330.77	4.54	-47.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010786267	0	39	-1.0	-51.52	339.29	4.86	-46.66
CC(C)C[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010786268	0	41	-1.0	-62.46	343.55	2.51	-59.95
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010786269	0	34	-1.0	-52.54	316.57	5.12	-47.42
CC(C)C[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010786270	0	34	-1.0	-41.59	309.22	4.60	-36.99
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010786271	0	41	-1.0	-53.82	340.07	6.29	-47.53
COC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CS1	REAL300010786272	0	35	-1.0	-44.75	317.30	2.81	-41.94
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010786273	0	37	-1.0	-40.15	319.56	5.78	-34.37
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786274	0	40	-1.0	-51.15	356.26	4.50	-46.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010786275	0	41	-1.0	-45.60	347.38	6.48	-39.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010786276	0	44	-1.0	-51.27	343.40	4.71	-46.56
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786277	0	43	-1.0	-49.83	349.94	3.99	-45.84
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786278	0	43	-1.0	-58.88	361.62	1.66	-57.22
CC(C)C[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010786279	0	37	-1.0	-58.75	345.07	0.70	-58.05
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786280	0	43	-1.0	-58.88	361.62	1.66	-57.22
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010786281	0	35	-1.0	-54.88	317.09	4.57	-50.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010786282	0	37	-1.0	-60.17	305.01	5.34	-54.83
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786283	0	46	-1.0	-69.54	367.12	7.89	-61.65
CC(C)C[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010786284	0	48	-1.0	-41.17	354.66	5.47	-35.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010786285	0	34	-1.0	-53.04	317.54	3.58	-49.46
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786286	0	38	-1.0	-51.90	323.44	4.40	-47.50
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010786287	0	48	-1.0	-54.47	391.50	3.27	-51.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010786288	0	40	-1.0	-52.40	343.63	5.68	-46.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010786289	0	38	-1.0	-53.44	329.66	3.73	-49.71
CC(C)C[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010786290	0	49	-1.0	-54.56	383.68	6.73	-47.83
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010786291	0	35	-1.0	-53.00	314.25	2.61	-50.39
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=NC=CC=C12	REAL300010786292	0	45	-1.0	-62.25	358.49	6.25	-56.00
CC(C)C[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010786293	0	42	-1.0	-52.65	342.24	4.05	-48.60
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010786294	0	37	-1.0	-54.67	323.96	2.81	-51.86
CCOCC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786295	0	44	-1.0	-55.63	367.58	4.81	-50.82
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786296	0	43	-1.0	-44.25	367.38	6.36	-37.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010786297	0	44	-1.0	-50.93	371.04	5.34	-45.59
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010786298	0	47	-1.0	-54.06	377.83	5.02	-49.04
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010786299	0	45	-1.0	-52.37	379.56	7.02	-45.35
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010786300	0	37	-1.0	-58.36	301.22	5.56	-52.80
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786301	0	46	-1.0	-62.23	381.67	6.93	-55.30
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC(C)=C1Br	REAL300010786302	0	40	-1.0	-51.26	348.92	5.91	-45.35
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010786303	0	39	-1.0	-52.91	349.75	5.57	-47.34
CC(C)C[C@@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010786304	0	33	-1.0	-58.30	314.99	2.44	-55.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010786305	0	35	-1.0	-64.28	308.54	4.36	-59.92
CC(C)C[C@@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010786306	0	38	-1.0	-58.50	329.70	3.69	-54.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010786307	1	35	-1.0	-39.27	306.42	2.31	-36.96
CC(C)C[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010786308	0	40	-1.0	-51.10	366.79	5.64	-45.46
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010786309	0	33	-1.0	-46.59	308.31	2.77	-43.82
CC(C)C[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010786310	0	46	-1.0	-59.05	374.69	1.93	-57.12
CCN1N=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010786311	0	37	-1.0	-42.68	333.89	3.21	-39.47
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010786312	0	38	-1.0	-54.13	343.43	5.98	-48.15
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C2	REAL300010786313	0	40	-1.0	-52.30	375.53	5.37	-46.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010786315	0	36	-1.0	-44.12	332.99	3.49	-40.63
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010786316	0	39	-1.0	-62.06	349.91	5.44	-56.62
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010786317	0	39	-1.0	-57.90	345.38	5.18	-52.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010786318	0	36	-1.0	-44.12	332.99	3.49	-40.63
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010786319	0	43	-1.0	-58.11	346.50	6.88	-51.23
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786320	0	38	-1.0	-62.54	340.94	5.11	-57.43
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010786321	0	41	-1.0	-56.47	348.51	4.49	-51.98
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010786322	0	48	-1.0	-53.02	394.49	5.63	-47.39
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010786323	0	34	-1.0	-56.35	310.72	4.55	-51.80
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])O1	REAL300010786324	0	40	-1.0	-61.07	357.30	0.65	-60.42
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010786325	0	44	-1.0	-54.80	362.14	5.51	-49.29
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010786326	0	40	-1.0	-57.78	354.45	2.53	-55.25
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010786327	0	38	-1.0	-53.52	331.57	5.54	-47.98
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010786328	0	38	-1.0	-53.10	346.42	6.05	-47.05
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010786329	0	38	-1.0	-52.92	346.45	6.09	-46.83
CC(C)C[C@@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010786330	0	39	-1.0	-62.56	333.66	-1.84	-64.40
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010786331	0	37	-1.0	-57.00	302.97	4.32	-52.68
CC(C)C[C@@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010786332	0	40	-1.0	-38.20	321.37	5.09	-33.11
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010786333	0	36	-1.0	-53.10	321.76	3.56	-49.54
CC(C)C[C@@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010786334	0	42	-1.0	-54.01	345.04	1.37	-52.64
CC1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010786335	0	43	-1.0	-59.42	367.53	3.77	-55.65
CC(C)C[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010786336	0	51	-1.0	-58.03	367.86	7.05	-50.98
CC(C)C[C@@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010786337	0	44	-1.0	-58.96	351.16	3.66	-55.30
CC(C)C[C@@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010786338	0	37	-1.0	-63.72	321.74	-0.11	-63.83
CC(C)C[C@@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010786339	0	42	-1.0	-54.00	329.24	4.63	-49.37
CC(C)C[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010786340	0	42	-1.0	-65.75	361.47	1.00	-64.75
CC(C)C[C@@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010786341	0	47	-1.0	-57.76	365.25	4.55	-53.21
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C2C=CC=CN12	REAL300010786342	0	46	-1.0	-62.46	383.28	6.72	-55.74
CC(C)C[C@@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010786343	0	44	-1.0	-55.73	361.52	6.47	-49.26
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010786344	0	38	-1.0	-58.85	338.47	3.19	-55.66
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C2C=C1	REAL300010786345	0	43	-1.0	-57.88	371.61	5.87	-52.01
CC(C)C[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010786346	0	44	-1.0	-57.52	372.42	7.02	-50.50
CC(C)C[C@@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010786347	0	43	-1.0	-61.50	343.23	1.69	-59.81
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786348	0	43	-1.0	-63.37	363.38	5.02	-58.35
CC(C)C[C@@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010786349	0	47	-1.0	-55.99	357.99	6.19	-49.80
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010786350	0	38	-1.0	-54.92	334.78	5.51	-49.41
COC(=O)C1CCCCN1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786351	0	45	-1.0	-45.86	343.88	5.14	-40.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010786352	0	56	-1.0	-55.74	420.92	8.34	-47.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010786353	0	37	-1.0	-57.57	336.57	4.96	-52.61
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786354	0	45	-1.0	-54.62	360.23	5.54	-49.08
CC1=CC=CC(CNS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786355	0	42	-1.0	-51.20	351.33	4.02	-47.18
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=NN1	REAL300010786356	0	40	-1.0	-53.85	345.19	2.51	-51.34
COC1=CSC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010786357	0	39	-1.0	-55.88	346.55	2.78	-53.10
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786358	1	37	-1.0	-51.25	348.49	3.59	-47.66
CC(C)C[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010786359	0	46	-1.0	-45.66	354.88	4.84	-40.82
CC(C)C[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010786360	0	45	-1.0	-54.11	363.87	6.53	-47.58
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786361	0	38	-1.0	-55.33	339.65	5.36	-49.97
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010786362	0	38	-1.0	-53.82	342.27	5.16	-48.66
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010786363	0	38	-1.0	-56.36	327.40	3.72	-52.64
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010786364	0	38	-1.0	-56.74	335.75	3.79	-52.95
CC(C)C[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010786365	0	40	-1.0	-52.30	333.71	4.06	-48.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010786366	0	37	-1.0	-53.64	319.91	5.69	-47.95
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010786367	0	43	-1.0	-51.69	369.28	4.64	-47.05
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010786368	0	31	-1.0	-47.50	315.45	4.27	-43.23
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010786369	0	34	-1.0	-50.60	302.03	2.35	-48.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786370	0	47	-1.0	-51.62	380.97	6.35	-45.27
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010786371	0	51	-1.0	-53.16	408.71	6.05	-47.11
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010786372	0	37	-1.0	-52.67	345.37	5.43	-47.24
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010786373	0	39	-1.0	-56.04	343.31	4.80	-51.24
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786374	0	42	-1.0	-44.81	314.60	4.05	-40.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010786375	0	45	-1.0	-58.15	379.93	6.99	-51.16
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010786376	0	40	-1.0	-47.17	327.07	6.20	-40.97
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786377	0	37	-1.0	-65.91	317.16	2.29	-63.62
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010786378	0	39	-1.0	-52.46	346.28	2.75	-49.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010786379	0	35	-1.0	-58.45	324.10	2.95	-55.50
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786380	0	36	-1.0	-45.09	304.39	3.84	-41.25
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786381	0	45	-1.0	-54.38	374.64	5.81	-48.57
CCN1C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C2CC2)=N1	REAL300010786382	0	44	-1.0	-56.35	353.69	4.95	-51.40
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010786383	0	38	-1.0	-65.01	329.04	3.54	-61.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010786384	0	40	-1.0	-53.18	353.80	6.94	-46.24
CC(=O)OC1CCN(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C1	REAL300010786385	0	42	-1.0	-55.23	347.29	3.24	-51.99
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010786386	0	44	-1.0	-53.20	381.57	8.06	-45.14
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C(Cl)S1	REAL300010786387	0	37	-1.0	-59.25	333.81	4.95	-54.30
CCC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010786388	0	40	-1.0	-50.74	349.69	6.00	-44.74
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786389	0	47	-1.0	-49.92	369.43	5.30	-44.62
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010786390	0	31	-1.0	-50.16	299.30	3.69	-46.47
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786391	0	48	-1.0	-45.83	397.30	4.66	-41.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010786392	0	40	-1.0	-54.69	347.32	6.89	-47.80
CC(C)C[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010786393	0	42	-1.0	-50.58	339.69	1.77	-48.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010786394	0	41	-1.0	-42.62	331.32	6.31	-36.31
CC(C)C[C@@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010786395	0	45	-1.0	-53.94	341.91	4.04	-49.90
CC(C)C[C@@H](NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010786396	0	43	-1.0	-55.56	338.08	0.55	-55.01
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786397	0	48	-1.0	-65.07	396.57	4.72	-60.35
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010786398	0	49	-1.0	-53.45	392.53	4.50	-48.95
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786399	0	37	-1.0	-43.67	337.76	2.06	-41.61
COC1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010786400	0	40	-1.0	-50.24	337.78	1.57	-48.67
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010786401	0	43	-1.0	-55.84	358.92	4.18	-51.66
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786402	0	43	-1.0	-53.04	354.64	3.92	-49.12
CC(C)C[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010786403	0	33	-1.0	-54.03	310.73	3.08	-50.95
CC(C)C[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010786404	0	44	-1.0	-46.18	341.63	1.47	-44.71
COCC1=CC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=NO1	REAL300010786405	0	40	-1.0	-56.73	344.95	2.08	-54.65
CC(C)C[C@@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010786406	0	32	-1.0	-56.03	300.54	3.55	-52.48
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010786407	0	37	-1.0	-64.54	343.12	4.07	-60.47
CC(C)C[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010786408	1	32	-1.0	-52.83	305.36	2.17	-50.66
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010786409	0	38	-1.0	-64.96	338.90	2.20	-62.76
CC1=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(C)S1	REAL300010786410	0	40	-1.0	-52.57	328.71	5.38	-47.19
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010786411	0	33	-1.0	-60.12	292.25	3.45	-56.67
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786412	0	38	-1.0	-43.40	342.09	4.78	-38.62
COC1=CC=NC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786413	0	37	-1.0	-46.03	318.61	2.32	-43.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010786414	0	36	-1.0	-54.88	317.70	4.22	-50.66
COC1=NC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010786415	0	37	-1.0	-55.74	322.19	1.22	-54.52
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010786416	0	43	-1.0	-56.93	372.78	3.23	-53.70
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786417	0	41	-1.0	-56.86	343.48	2.93	-53.93
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010786418	0	38	-1.0	-51.91	356.35	6.41	-45.50
CC(C)C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010786419	0	39	-1.0	-40.75	342.45	6.45	-34.30
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010786420	1	33	-1.0	-56.44	314.52	3.28	-53.16
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010786421	0	45	-1.0	-53.54	362.76	4.53	-49.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010786422	0	40	-1.0	-44.49	335.73	3.58	-40.91
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CN=C12	REAL300010786423	0	42	-1.0	-54.76	343.69	5.23	-49.53
COC(=O)C1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010786424	0	42	-1.0	-49.37	356.68	3.51	-45.86
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010786425	0	37	-1.0	-63.98	317.03	6.08	-57.90
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010786426	0	41	-1.0	-49.60	340.05	4.39	-45.21
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010786427	0	41	-1.0	-53.73	346.34	5.40	-48.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010786428	0	36	-1.0	-57.21	314.27	3.79	-53.42
CC(C)C[C@@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010786429	0	39	-1.0	-58.06	322.89	4.46	-53.60
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=NN1C(C)C	REAL300010786430	0	43	-1.0	-57.69	352.27	3.93	-53.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010786431	0	41	-1.0	-55.38	350.49	6.32	-49.06
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010786432	0	36	-1.0	-51.56	318.24	3.13	-48.43
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010786433	0	34	-1.0	-50.87	307.59	4.70	-46.17
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=C1NCCC2	REAL300010786434	0	46	-1.0	-55.09	357.53	5.04	-50.05
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010786435	0	48	-1.0	-52.71	399.47	7.70	-45.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010786436	0	41	-1.0	-55.66	352.71	6.41	-49.25
CC(C)C[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010786437	0	31	-1.0	-51.46	292.79	4.16	-47.30
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010786438	0	38	-1.0	-58.94	332.16	4.81	-54.13
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786439	0	36	-1.0	-45.14	308.96	3.91	-41.23
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010786440	0	39	-1.0	-63.21	321.16	5.19	-58.02
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786441	0	43	-1.0	-62.11	359.81	6.02	-56.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010786442	0	45	-1.0	-54.78	374.75	8.24	-46.54
CC1=CN=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010786443	0	39	-1.0	-60.38	326.95	3.96	-56.42
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010786444	0	37	-1.0	-45.61	330.40	5.25	-40.36
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010786445	0	33	-1.0	-49.06	307.22	2.91	-46.15
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010786446	0	36	-1.0	-61.31	305.98	4.05	-57.26
CC(C)C[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010786447	0	37	-1.0	-50.93	306.17	3.92	-47.01
CC(C)C[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010786448	0	42	-1.0	-60.07	338.39	-0.28	-60.35
CC(C)C[C@@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010786449	0	41	-1.0	-52.90	322.36	2.28	-50.62
CC(C)C[C@@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010786450	0	40	-1.0	-57.73	326.47	3.55	-54.18
CC1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010786451	0	36	-1.0	-53.66	314.13	4.19	-49.47
CC(C)C[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010786452	1	33	-1.0	-53.06	312.49	4.09	-48.97
CC(C)C[C@@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010786453	0	38	-1.0	-64.57	336.44	3.50	-61.07
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010786454	0	38	-1.0	-53.52	331.57	5.54	-47.98
CC(C)C[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010786455	0	38	-1.0	-53.09	341.89	5.99	-47.10
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010786456	0	43	-1.0	-61.35	370.96	3.76	-57.59
COC1=CC=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786457	0	37	-1.0	-57.54	308.36	2.54	-55.00
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010786458	0	41	-1.0	-47.07	343.81	6.47	-40.60
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Cl)=C1Cl	REAL300010786459	0	37	-1.0	-56.90	328.58	5.48	-51.42
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010786460	0	38	-1.0	-49.84	345.52	4.18	-45.66
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C(F)F)=C1	REAL300010786461	0	41	-1.0	-61.84	328.99	4.50	-57.34
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC	REAL300010786462	0	47	-1.0	-57.47	394.50	5.74	-51.73
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2C1	REAL300010786463	0	47	-1.0	-57.06	389.95	6.64	-50.42
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])N=C1	REAL300010786464	0	37	-1.0	-53.85	316.63	1.54	-52.31
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786465	0	40	-1.0	-42.95	360.14	2.56	-40.39
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786466	0	40	-1.0	-57.96	345.78	6.20	-51.76
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786467	0	39	-1.0	-45.89	330.19	3.96	-41.93
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786468	0	40	-1.0	-67.01	339.74	5.84	-61.17
CC(C)C[C@@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010786469	0	39	-1.0	-53.80	328.86	4.64	-49.16
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010786470	0	34	-1.0	-40.97	311.89	5.50	-35.47
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786471	0	40	-1.0	-65.15	329.20	3.91	-61.24
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010786472	0	45	-1.0	-52.24	387.40	5.18	-47.06
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=NC=CC=C12	REAL300010786473	0	42	-1.0	-66.15	341.39	6.10	-60.05
CC(C)C[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010786474	1	30	-1.0	-48.34	295.56	2.62	-45.72
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC(C)=N1	REAL300010786475	0	39	-1.0	-51.10	328.92	3.61	-47.49
CC(C)C[C@@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010786476	0	36	-1.0	-50.61	306.20	2.62	-47.99
CC(C)C[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010786477	0	36	-1.0	-51.53	327.23	2.67	-48.86
CC(C)C[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010786478	0	41	-1.0	-56.57	329.85	7.50	-49.07
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010786479	0	36	-1.0	-56.04	321.85	3.80	-52.24
CC(C)C[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010786480	0	36	-1.0	-66.82	301.68	4.03	-62.79
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C(Cl)S1	REAL300010786481	0	34	-1.0	-39.40	317.76	4.68	-34.72
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010786482	0	36	-1.0	-62.01	314.01	3.85	-58.16
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010786483	0	41	-1.0	-59.14	354.05	5.31	-53.83
CC(C)C[C@@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010786484	0	51	-1.0	-58.84	361.60	9.27	-49.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786485	0	47	-1.0	-46.50	378.02	6.76	-39.74
CC1=CC=C(O)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786486	0	38	-1.0	-46.43	323.44	2.75	-43.68
CC(C)C[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010786487	1	39	-1.0	-60.93	340.58	3.18	-57.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010786488	0	35	-1.0	-62.76	307.94	7.46	-55.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010786489	0	29	-1.0	-43.15	270.13	4.67	-38.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010786490	0	29	-1.0	-59.39	264.59	5.43	-53.96
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010786491	0	41	-1.0	-48.41	307.22	6.53	-41.88
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786492	0	35	-1.0	-58.96	294.78	5.70	-53.26
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786493	0	38	-1.0	-45.17	325.46	5.64	-39.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010786494	0	29	-1.0	-56.67	278.49	5.60	-51.07
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010786495	0	35	-1.0	-65.45	310.88	5.74	-59.71
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786496	0	41	-1.0	-48.72	325.12	6.37	-42.35
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786497	0	41	-1.0	-48.42	327.47	6.64	-41.78
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786498	0	46	-1.0	-51.86	385.59	3.77	-48.09
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786499	0	40	-1.0	-48.98	345.14	2.00	-46.98
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786500	0	39	-1.0	-50.71	331.00	3.06	-47.65
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010786501	0	31	-1.0	-51.15	290.17	5.99	-45.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010786502	0	29	-1.0	-45.63	267.29	5.25	-40.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010786503	0	29	-1.0	-54.06	283.23	5.94	-48.12
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010786504	0	33	-1.0	-60.10	305.28	4.96	-55.14
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786505	0	40	-1.0	-80.31	335.15	3.74	-76.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010786506	0	29	-1.0	-52.72	270.45	5.02	-47.70
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010786507	0	29	-1.0	-54.22	288.82	6.02	-48.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010786508	0	35	-1.0	-53.42	333.11	7.00	-46.42
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786509	0	41	-1.0	-62.25	364.88	6.29	-55.96
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786510	0	41	-1.0	-71.99	356.91	7.29	-64.70
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010786511	0	29	-1.0	-55.43	274.63	5.42	-50.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010786512	0	32	-1.0	-62.36	302.98	6.51	-55.85
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010786513	0	32	-1.0	-44.99	288.32	5.23	-39.76
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1NC(C)=O	REAL300010786514	0	40	-1.0	-67.98	340.28	3.30	-64.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010786515	0	33	-1.0	-44.80	294.77	3.84	-40.96
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300010786516	0	44	-1.0	-61.37	327.65	7.53	-53.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010786517	0	38	-1.0	-61.76	318.19	4.93	-56.83
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010786518	0	34	-1.0	-41.07	293.05	5.23	-35.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010786519	0	26	-1.0	-45.39	265.58	3.91	-41.48
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010786520	0	35	-1.0	-56.03	310.73	7.26	-48.77
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786521	0	33	-1.0	-63.44	300.11	5.47	-57.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786522	0	47	-1.0	-58.75	354.06	8.63	-50.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010786523	0	45	-1.0	-48.54	350.66	7.86	-40.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010786524	0	32	-1.0	-45.08	291.30	5.13	-39.95
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010786525	0	39	-1.0	-60.98	318.08	7.48	-53.50
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786526	0	37	-1.0	-67.59	308.27	4.15	-63.44
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010786527	0	37	-1.0	-60.52	314.09	4.20	-56.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010786528	0	39	-1.0	-50.18	346.02	3.63	-46.55
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786529	0	36	-1.0	-51.93	326.30	2.36	-49.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010786530	0	37	-1.0	-60.14	309.84	7.39	-52.75
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786531	0	39	-1.0	-51.10	318.13	3.57	-47.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010786532	0	26	-1.0	-55.19	273.37	4.59	-50.60
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786533	0	44	-1.0	-47.88	352.22	7.55	-40.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010786534	0	35	-1.0	-66.18	290.77	6.91	-59.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010786535	0	39	-1.0	-50.19	322.98	7.46	-42.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010786536	0	32	-1.0	-53.15	300.68	6.31	-46.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010786537	0	29	-1.0	-41.05	283.92	5.75	-35.30
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786538	0	44	-1.0	-48.41	339.22	6.84	-41.57
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786539	0	32	-1.0	-59.76	290.83	6.11	-53.65
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010786540	0	29	-1.0	-51.29	274.37	5.18	-46.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010786541	0	29	-1.0	-53.89	284.87	5.56	-48.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010786542	0	32	-1.0	-59.25	296.94	5.92	-53.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010786543	0	29	-1.0	-53.68	283.57	5.58	-48.10
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010786544	0	29	-1.0	-53.89	269.27	5.04	-48.85
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010786545	0	32	-1.0	-56.72	299.68	6.05	-50.67
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010786546	0	34	-1.0	-68.98	290.52	6.00	-62.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010786547	0	32	-1.0	-62.37	292.64	6.05	-56.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010786548	0	40	-1.0	-50.40	355.10	7.49	-42.91
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010786549	0	29	-1.0	-58.35	274.91	5.12	-53.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010786550	0	29	-1.0	-53.67	270.95	5.50	-48.17
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786551	0	35	-1.0	-56.80	308.61	5.53	-51.27
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786552	0	33	-1.0	-60.87	291.09	4.37	-56.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010786553	0	29	-1.0	-52.81	282.37	5.66	-47.15
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300010786554	0	44	-1.0	-47.76	366.97	6.19	-41.57
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786555	0	36	-1.0	-61.89	325.25	4.51	-57.38
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010786556	0	45	-1.0	-62.16	358.63	7.97	-54.19
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010786557	0	32	-1.0	-46.42	285.93	5.83	-40.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010786558	0	32	-1.0	-46.75	308.51	5.90	-40.85
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010786559	0	39	-1.0	-62.50	318.80	6.42	-56.08
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010786560	0	36	-1.0	-57.46	305.95	2.44	-55.02
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010786561	0	37	-1.0	-60.55	317.19	2.37	-58.18
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786562	0	34	-1.0	-55.90	292.65	6.00	-49.90
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010786563	0	36	-1.0	-63.42	312.82	3.86	-59.56
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786564	0	34	-1.0	-44.93	284.34	5.14	-39.79
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786565	0	35	-1.0	-60.35	326.89	6.16	-54.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010786566	0	28	-1.0	-55.46	272.52	3.71	-51.75
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786567	0	38	-1.0	-64.52	333.83	2.24	-62.28
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010786568	0	36	-1.0	-69.81	316.55	4.01	-65.80
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010786569	0	43	-1.0	-79.21	346.98	6.58	-72.63
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300010786570	0	39	-1.0	-61.25	308.40	5.41	-55.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010786571	0	29	-1.0	-57.74	271.48	5.36	-52.38
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010786572	0	40	-1.0	-59.20	338.67	4.50	-54.70
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010786573	0	32	-1.0	-61.20	300.09	6.40	-54.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010786574	0	29	-1.0	-53.07	291.49	6.07	-47.00
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786575	0	43	-1.0	-69.76	362.30	3.87	-65.89
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786576	0	37	-1.0	-54.64	309.69	6.20	-48.44
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786577	0	41	-1.0	-48.77	329.96	6.72	-42.05
COCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786578	0	39	-1.0	-47.93	325.33	4.56	-43.37
COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786579	0	41	-1.0	-67.16	331.56	2.97	-64.19
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786580	0	32	-1.0	-61.58	279.86	6.01	-55.57
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786581	0	45	-1.0	-46.67	360.70	6.37	-40.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010786582	0	43	-1.0	-48.32	343.74	6.25	-42.07
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786583	0	42	-1.0	-46.85	341.74	5.77	-41.08
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786584	0	39	-1.0	-46.84	321.63	5.07	-41.77
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786585	0	33	-1.0	-60.14	300.89	4.85	-55.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010786586	0	33	-1.0	-57.48	310.64	5.12	-52.36
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300010786587	0	42	-1.0	-47.97	338.19	5.64	-42.33
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786588	0	40	-1.0	-48.25	333.81	3.54	-44.71
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786589	0	40	-1.0	-49.30	339.58	3.71	-45.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010786590	0	44	-1.0	-44.16	354.84	3.55	-40.61
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010786591	0	32	-1.0	-58.85	285.96	6.10	-52.75
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786592	0	35	-1.0	-68.17	322.67	2.84	-65.33
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786593	0	35	-1.0	-71.34	319.98	7.15	-64.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010786594	0	34	-1.0	-48.50	289.91	4.44	-44.06
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786595	0	35	-1.0	-56.52	331.44	6.26	-50.26
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786596	0	33	-1.0	-59.54	293.04	5.27	-54.27
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786597	0	33	-1.0	-64.26	306.10	6.01	-58.25
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786598	0	46	-1.0	-55.14	386.84	3.23	-51.91
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300010786599	0	39	-1.0	-62.52	337.46	5.69	-56.83
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010786600	0	38	-1.0	-45.60	319.62	5.24	-40.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010786601	0	38	-1.0	-50.62	317.50	4.12	-46.50
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010786602	0	38	-1.0	-64.19	323.89	5.89	-58.30
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010786603	0	38	-1.0	-60.76	311.64	4.80	-55.96
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786604	0	38	-1.0	-58.26	315.39	5.88	-52.38
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786605	0	41	-1.0	-51.35	305.01	6.85	-44.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010786606	0	42	-1.0	-64.53	353.66	7.67	-56.86
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786607	0	37	-1.0	-62.79	314.88	3.45	-59.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010786608	0	36	-1.0	-60.76	319.31	6.12	-54.64
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1F	REAL300010786609	0	35	-1.0	-56.18	320.13	5.61	-50.57
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010786610	0	33	-1.0	-55.60	305.91	5.12	-50.48
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010786611	0	39	-1.0	-62.62	345.84	6.65	-55.97
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C(Br)S1	REAL300010786612	0	29	-1.0	-58.86	280.12	5.27	-53.59
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1	REAL300010786613	0	33	-1.0	-66.09	298.77	3.36	-62.73
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786614	0	30	-1.0	-53.51	291.58	5.80	-47.71
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010786615	0	37	-1.0	-76.50	307.28	7.26	-69.24
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786616	0	35	-1.0	-62.49	317.17	5.86	-56.63
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786617	0	38	-1.0	-72.09	323.84	3.02	-69.07
N#CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010786618	0	30	-1.0	-57.91	291.59	5.80	-52.11
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786619	0	45	-1.0	-47.79	359.79	5.78	-42.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010786620	0	40	-1.0	-64.12	337.00	4.02	-60.10
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010786621	0	41	-1.0	-52.62	361.51	2.00	-50.62
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300010786622	0	32	-1.0	-53.95	294.90	3.80	-50.15
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786623	0	35	-1.0	-49.58	310.53	4.37	-45.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010786624	0	31	-1.0	-51.30	268.07	5.21	-46.09
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010786625	0	32	-1.0	-60.41	312.26	6.78	-53.63
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C)N1	REAL300010786626	0	42	-1.0	-56.81	344.70	4.67	-52.14
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010786627	0	29	-1.0	-52.24	269.56	5.05	-47.19
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300010786628	0	35	-1.0	-59.26	334.79	5.57	-53.69
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010786629	0	49	-1.0	-46.70	383.37	7.67	-39.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010786630	0	39	-1.0	-47.29	346.09	3.63	-43.66
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010786631	0	29	-1.0	-43.14	276.62	5.15	-37.99
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786632	0	38	-1.0	-56.51	317.46	5.39	-51.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010786633	0	31	-1.0	-51.33	289.14	6.24	-45.09
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010786634	0	37	-1.0	-59.13	316.59	4.10	-55.03
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010786635	0	40	-1.0	-52.81	321.16	3.91	-48.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010786636	0	31	-1.0	-40.78	289.74	6.15	-34.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010786637	0	32	-1.0	-57.54	284.71	4.75	-52.79
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786638	0	30	-1.0	-65.66	285.84	5.09	-60.57
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010786639	0	35	-1.0	-54.78	319.24	6.10	-48.68
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010786640	0	32	-1.0	-59.78	294.86	6.19	-53.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010786641	0	33	-1.0	-57.60	300.25	2.25	-55.35
COC(=O)CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010786642	0	35	-1.0	-67.32	314.72	3.79	-63.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010786643	0	35	-1.0	-58.81	304.85	7.50	-51.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010786644	0	34	-1.0	-59.83	314.49	6.67	-53.16
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786645	0	29	-1.0	-46.44	285.24	4.49	-41.95
CC1=C(Br)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010786646	0	34	-1.0	-56.20	320.18	6.80	-49.40
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300010786647	0	35	-1.0	-53.96	321.00	5.73	-48.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010786648	0	47	-1.0	-59.64	343.65	6.51	-53.13
CC1=NC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300010786649	0	37	-1.0	-69.61	312.09	6.58	-63.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010786650	0	40	-1.0	-57.89	332.53	3.56	-54.33
CC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Br	REAL300010786651	0	32	-1.0	-59.24	281.98	6.04	-53.20
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786652	0	35	-1.0	-70.53	315.49	6.10	-64.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010786653	0	37	-1.0	-59.17	314.15	2.77	-56.40
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010786654	0	35	-1.0	-54.75	310.89	5.74	-49.01
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786655	0	35	-1.0	-49.26	301.62	5.74	-43.52
COCCN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010786656	0	36	-1.0	-60.09	315.07	2.63	-57.46
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010786657	0	35	-1.0	-54.72	326.42	6.12	-48.60
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010786658	0	42	-1.0	-62.14	340.65	7.35	-54.79
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786659	0	39	-1.0	-54.47	322.61	5.67	-48.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010786660	0	34	-1.0	-66.61	303.70	5.16	-61.45
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010786661	0	36	-1.0	-58.01	315.88	6.14	-51.87
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010786662	0	43	-1.0	-59.96	367.28	6.11	-53.85
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010786663	0	31	-1.0	-59.96	299.76	6.12	-53.84
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786664	0	43	-1.0	-48.25	355.61	4.51	-43.74
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786665	0	45	-1.0	-46.61	364.63	6.63	-39.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010786666	0	31	-1.0	-47.19	272.92	5.64	-41.55
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010786667	0	35	-1.0	-55.55	314.69	5.67	-49.88
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010786668	0	35	-1.0	-53.89	328.39	6.39	-47.50
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786669	0	39	-1.0	-71.05	333.46	5.52	-65.53
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786670	0	32	-1.0	-62.96	303.42	4.67	-58.29
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786671	0	41	-1.0	-69.63	336.62	6.54	-63.09
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010786672	0	38	-1.0	-60.43	326.18	6.17	-54.26
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786673	0	35	-1.0	-65.61	311.32	5.56	-60.05
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010786674	0	39	-1.0	-50.56	302.68	6.51	-44.05
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010786675	0	28	-1.0	-54.30	271.69	3.80	-50.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010786676	0	33	-1.0	-46.14	305.16	5.51	-40.63
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786677	0	43	-1.0	-60.42	375.84	3.42	-57.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010786678	0	29	-1.0	-53.01	282.37	5.66	-47.35
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010786679	0	36	-1.0	-79.28	319.98	2.86	-76.42
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786680	0	32	-1.0	-57.19	280.93	6.01	-51.18
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010786681	0	33	-1.0	-55.97	305.28	4.96	-51.01
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010786682	0	40	-1.0	-49.97	326.28	5.30	-44.67
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786683	0	37	-1.0	-62.50	334.32	1.77	-60.73
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300010786684	0	46	-1.0	-61.89	386.26	4.16	-57.73
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786685	0	33	-1.0	-61.16	294.56	4.59	-56.57
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786686	0	38	-1.0	-68.09	337.53	3.41	-64.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010786687	0	31	-1.0	-55.14	303.64	4.90	-50.24
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786688	0	34	-1.0	-70.69	303.18	5.72	-64.97
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786689	0	30	-1.0	-54.64	297.49	6.00	-48.64
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010786690	0	36	-1.0	-56.20	327.12	5.89	-50.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010786691	0	34	-1.0	-58.17	306.04	0.46	-57.71
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300010786692	0	43	-1.0	-57.98	368.36	6.94	-51.04
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010786693	0	38	-1.0	-64.70	322.97	5.31	-59.39
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786694	0	34	-1.0	-51.86	307.89	4.34	-47.52
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010786695	0	37	-1.0	-69.65	319.87	6.21	-63.44
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786696	0	45	-1.0	-59.68	385.24	2.72	-56.96
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010786697	0	39	-1.0	-61.69	334.73	5.91	-55.78
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010786698	0	34	-1.0	-52.55	297.06	4.23	-48.32
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010786699	0	39	-1.0	-60.38	315.75	5.56	-54.82
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786700	0	38	-1.0	-74.52	326.69	6.45	-68.07
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010786701	0	33	-1.0	-62.45	288.57	5.12	-57.33
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786702	0	33	-1.0	-48.66	288.98	5.07	-43.59
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786703	0	41	-1.0	-44.87	346.91	6.43	-38.44
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010786704	0	35	-1.0	-59.65	309.02	4.60	-55.05
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010786705	0	35	-1.0	-65.71	319.03	6.69	-59.02
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786706	0	40	-1.0	-45.72	320.28	6.13	-39.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010786707	0	28	-1.0	-51.79	274.02	3.89	-47.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010786708	0	35	-1.0	-53.43	293.92	3.89	-49.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010786709	0	34	-1.0	-60.63	285.52	5.18	-55.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786710	0	32	-1.0	-61.46	284.43	6.12	-55.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010786711	0	37	-1.0	-60.14	315.18	4.18	-55.96
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786712	0	45	-1.0	-49.20	363.64	4.98	-44.22
COC1=CC(Br)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010786713	0	37	-1.0	-57.71	323.25	4.64	-53.07
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300010786714	0	43	-1.0	-60.41	357.81	6.04	-54.37
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300010786715	0	35	-1.0	-59.11	301.08	3.87	-55.24
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786716	0	34	-1.0	-52.19	303.03	-1.00	-53.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010786717	0	40	-1.0	-61.82	326.11	5.15	-56.67
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010786718	0	43	-1.0	-66.36	348.03	6.59	-59.77
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010786719	0	37	-1.0	-58.44	308.96	6.54	-51.90
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786720	0	35	-1.0	-45.22	303.60	4.71	-40.51
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010786721	0	40	-1.0	-53.36	329.42	5.16	-48.20
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786722	0	36	-1.0	-54.35	305.22	2.33	-52.02
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2CC1C	REAL300010786723	0	43	-1.0	-53.51	343.82	5.63	-47.88
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=CS1	REAL300010786724	0	32	-1.0	-73.34	297.66	5.27	-68.07
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786725	0	32	-1.0	-45.72	299.78	3.97	-41.75
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010786726	0	33	-1.0	-38.10	305.47	5.23	-32.87
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786727	0	35	-1.0	-71.31	308.24	3.37	-67.94
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010786728	0	35	-1.0	-48.37	305.38	1.04	-47.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010786729	0	35	-1.0	-49.04	299.62	1.27	-47.77
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010786730	0	35	-1.0	-58.36	311.83	2.58	-55.78
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300010786731	0	37	-1.0	-68.01	313.56	6.54	-61.47
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010786732	0	35	-1.0	-55.20	301.85	5.04	-50.16
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786733	0	33	-1.0	-59.76	297.14	5.38	-54.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010786734	0	33	-1.0	-59.58	296.73	5.31	-54.27
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786735	0	34	-1.0	-66.71	309.60	-0.05	-66.76
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786736	0	35	-1.0	-45.87	303.73	4.70	-41.17
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010786737	0	41	-1.0	-60.69	364.39	2.84	-57.85
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010786738	0	34	-1.0	-62.42	307.01	6.44	-55.98
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300010786739	0	32	-1.0	-59.11	283.35	5.99	-53.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010786740	0	35	-1.0	-42.93	304.31	0.43	-42.50
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786741	0	35	-1.0	-55.89	309.49	1.57	-54.32
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C1=O	REAL300010786742	0	36	-1.0	-55.46	321.21	4.25	-51.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010786743	0	38	-1.0	-59.84	314.57	5.98	-53.86
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010786744	0	37	-1.0	-61.31	305.64	6.01	-55.30
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010786745	0	35	-1.0	-63.70	309.03	4.94	-58.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010786746	0	34	-1.0	-49.10	296.64	5.55	-43.55
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010786747	0	37	-1.0	-77.09	315.18	7.86	-69.23
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300010786748	0	43	-1.0	-63.88	350.35	5.68	-58.20
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786749	0	33	-1.0	-54.02	315.31	6.17	-47.85
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010786750	0	33	-1.0	-47.85	294.82	3.84	-44.01
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786751	0	40	-1.0	-66.18	350.11	3.03	-63.15
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010786752	0	29	-1.0	-53.97	268.33	5.39	-48.58
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010786753	0	31	-1.0	-53.67	285.26	6.27	-47.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010786754	0	41	-1.0	-48.18	335.28	3.29	-44.89
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010786755	0	39	-1.0	-54.45	320.85	7.88	-46.57
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786756	0	38	-1.0	-45.49	325.44	5.63	-39.86
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010786757	0	29	-1.0	-44.07	270.09	4.67	-39.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010786758	0	31	-1.0	-42.55	276.98	4.72	-37.83
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010786759	0	35	-1.0	-61.31	301.31	7.28	-54.03
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786760	0	36	-1.0	-50.49	304.87	2.94	-47.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786761	0	34	-1.0	-66.62	291.34	6.17	-60.45
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010786762	0	31	-1.0	-58.14	268.54	5.76	-52.38
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786763	0	36	-1.0	-63.33	321.12	6.37	-56.96
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010786764	0	35	-1.0	-62.04	299.85	4.15	-57.89
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786765	0	44	-1.0	-64.13	340.51	7.66	-56.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010786766	0	29	-1.0	-53.22	287.28	5.97	-47.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010786767	0	29	-1.0	-58.48	279.19	5.73	-52.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010786768	0	32	-1.0	-42.03	287.89	5.07	-36.96
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010786769	0	32	-1.0	-68.97	285.35	6.03	-62.94
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010786770	0	32	-1.0	-56.61	307.25	6.41	-50.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010786771	0	32	-1.0	-58.06	301.07	6.33	-51.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010786772	0	29	-1.0	-53.01	277.96	5.56	-47.45
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300010786773	0	38	-1.0	-49.45	325.18	3.12	-46.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010786774	0	28	-1.0	-51.63	282.45	4.07	-47.56
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786775	0	33	-1.0	-61.89	291.93	4.51	-57.38
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010786776	0	38	-1.0	-51.36	324.70	6.55	-44.81
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786777	0	38	-1.0	-52.31	325.75	5.49	-46.82
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300010786778	0	39	-1.0	-60.18	337.28	6.81	-53.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010786779	0	40	-1.0	-71.94	334.63	6.04	-65.90
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786780	0	30	-1.0	-58.16	281.73	5.52	-52.64
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010786781	0	43	-1.0	-59.78	357.56	4.73	-55.05
CC1CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300010786782	0	37	-1.0	-45.09	322.55	5.16	-39.93
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010786783	0	34	-1.0	-43.54	293.05	5.23	-38.31
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010786784	0	43	-1.0	-56.00	370.27	7.59	-48.41
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786785	0	32	-1.0	-48.57	290.91	3.60	-44.97
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010786786	0	40	-1.0	-64.34	343.11	5.77	-58.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010786787	0	31	-1.0	-58.53	287.36	4.47	-54.06
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786788	0	39	-1.0	-52.26	327.03	4.70	-47.56
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010786789	0	39	-1.0	-76.11	330.23	4.79	-71.32
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010786790	0	41	-1.0	-62.95	329.96	5.56	-57.39
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300010786791	0	31	-1.0	-53.34	286.01	4.22	-49.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010786792	0	35	-1.0	-46.01	300.21	3.11	-42.90
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786793	0	38	-1.0	-47.63	321.51	5.75	-41.88
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300010786794	0	37	-1.0	-61.81	314.32	3.60	-58.21
CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300010786795	0	41	-1.0	-50.11	325.85	6.62	-43.49
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786796	0	37	-1.0	-52.27	306.68	6.97	-45.30
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C)O1	REAL300010786797	0	35	-1.0	-62.53	307.44	4.38	-58.15
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786798	0	30	-1.0	-55.70	272.31	2.93	-52.77
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786799	0	31	-1.0	-72.61	291.36	3.54	-69.07
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300010786800	0	35	-1.0	-56.09	302.40	6.33	-49.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010786801	0	37	-1.0	-51.21	308.42	2.50	-48.71
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010786802	0	36	-1.0	-59.75	310.46	4.16	-55.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010786803	0	29	-1.0	-54.55	278.51	5.58	-48.97
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786804	0	40	-1.0	-44.47	331.28	5.88	-38.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010786805	0	32	-1.0	-46.87	299.19	5.49	-41.38
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010786806	0	34	-1.0	-48.89	291.29	0.22	-48.67
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786807	0	32	-1.0	-58.05	281.15	5.85	-52.20
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010786808	0	37	-1.0	-49.13	313.33	1.72	-47.41
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010786809	0	39	-1.0	-57.84	307.28	5.61	-52.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010786810	0	37	-1.0	-63.49	321.72	4.50	-58.99
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010786811	0	40	-1.0	-47.22	324.31	4.18	-43.04
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786812	0	38	-1.0	-49.99	331.41	5.59	-44.40
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300010786813	0	35	-1.0	-53.73	316.77	4.72	-49.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010786814	0	40	-1.0	-51.92	333.05	8.17	-43.75
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786815	0	39	-1.0	-48.38	334.64	4.97	-43.41
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786816	0	42	-1.0	-52.07	355.64	5.12	-46.95
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010786817	0	39	-1.0	-62.05	312.63	5.53	-56.52
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010786818	0	33	-1.0	-62.16	293.73	5.36	-56.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010786819	0	32	-1.0	-65.90	287.73	6.12	-59.78
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010786820	0	31	-1.0	-51.27	293.70	6.35	-44.92
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786821	0	34	-1.0	-46.65	274.81	5.78	-40.87
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010786822	0	31	-1.0	-50.84	292.77	6.10	-44.74
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010786823	0	26	-1.0	-61.77	268.03	4.51	-57.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010786824	0	33	-1.0	-56.23	286.82	5.22	-51.01
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010786825	0	37	-1.0	-51.72	295.25	5.15	-46.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010786826	0	31	-1.0	-61.74	290.50	4.42	-57.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010786827	0	37	-1.0	-59.28	317.85	4.12	-55.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010786828	0	34	-1.0	-62.51	285.66	5.31	-57.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010786829	0	28	-1.0	-52.49	278.45	4.06	-48.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010786830	0	31	-1.0	-51.29	299.76	6.12	-45.17
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786831	0	38	-1.0	-67.13	336.54	3.21	-63.92
CCN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010786832	0	34	-1.0	-75.69	308.15	5.52	-70.17
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010786833	0	31	-1.0	-76.50	287.51	6.25	-70.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010786834	0	31	-1.0	-51.87	289.99	5.73	-46.14
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010786835	0	36	-1.0	-44.93	319.70	4.74	-40.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010786836	0	31	-1.0	-53.53	289.82	6.38	-47.15
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010786837	0	43	-1.0	-48.07	360.04	7.33	-40.74
CC1(C)C2CCC1(CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)C2	REAL300010786838	0	44	-1.0	-70.12	332.10	7.49	-62.63
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010786839	0	37	-1.0	-65.29	334.55	1.53	-63.76
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786840	0	37	-1.0	-62.13	311.92	5.32	-56.81
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010786841	0	42	-1.0	-60.47	344.65	3.70	-56.77
COC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010786842	0	38	-1.0	-49.45	326.97	5.39	-44.06
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010786843	0	39	-1.0	-62.06	341.29	6.58	-55.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786844	0	51	-1.0	-58.89	392.86	7.93	-50.96
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786845	0	35	-1.0	-61.83	319.80	5.96	-55.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786846	0	37	-1.0	-55.96	322.39	0.76	-55.20
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1F	REAL300010786847	0	32	-1.0	-55.02	284.60	5.60	-49.42
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786848	0	36	-1.0	-63.89	318.29	6.03	-57.86
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010786849	0	41	-1.0	-59.77	346.08	6.53	-53.24
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2F)N=C1	REAL300010786850	0	39	-1.0	-64.96	339.98	7.03	-57.93
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786851	0	36	-1.0	-63.61	333.21	4.20	-59.41
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786852	0	36	-1.0	-68.34	318.90	-0.22	-68.56
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786853	0	32	-1.0	-59.05	284.62	5.61	-53.44
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010786854	0	34	-1.0	-59.88	307.83	6.64	-53.24
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010786855	0	35	-1.0	-58.14	310.37	6.21	-51.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010786856	0	26	-1.0	-55.05	278.01	4.69	-50.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010786857	0	41	-1.0	-53.56	348.25	6.24	-47.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010786858	0	29	-1.0	-58.67	277.89	5.54	-53.13
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010786859	0	35	-1.0	-42.71	303.27	5.57	-37.14
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010786860	0	35	-1.0	-64.91	330.30	5.45	-59.46
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C12	REAL300010786861	0	37	-1.0	-56.10	321.69	4.72	-51.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010786862	0	32	-1.0	-61.24	306.59	6.33	-54.91
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C12	REAL300010786863	0	33	-1.0	-58.00	295.11	1.97	-56.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010786864	0	38	-1.0	-48.93	330.35	6.89	-42.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010786865	0	31	-1.0	-61.74	290.50	4.42	-57.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010786866	0	31	-1.0	-60.55	292.80	6.10	-54.45
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786867	0	35	-1.0	-71.44	309.65	6.69	-64.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010786868	0	32	-1.0	-64.74	293.45	6.12	-58.62
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CN=C2S1	REAL300010786869	0	43	-1.0	-54.90	379.79	6.60	-48.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010786870	0	29	-1.0	-58.30	283.77	5.84	-52.46
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010786871	0	37	-1.0	-64.15	330.23	4.85	-59.30
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300010786872	0	37	-1.0	-58.49	324.73	2.48	-56.01
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010786873	0	38	-1.0	-55.29	336.57	6.59	-48.70
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010786874	0	37	-1.0	-56.39	312.70	4.88	-51.51
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010786875	0	32	-1.0	-48.09	307.61	6.11	-41.98
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010786876	0	35	-1.0	-51.58	316.70	6.84	-44.74
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010786877	0	32	-1.0	-57.59	303.53	6.69	-50.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010786878	0	35	-1.0	-51.88	298.69	6.99	-44.89
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010786879	0	35	-1.0	-63.09	307.18	7.57	-55.52
COC1=CC(Br)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786880	0	33	-1.0	-57.17	310.06	5.30	-51.87
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010786881	0	43	-1.0	-50.19	362.30	6.29	-43.90
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786882	0	35	-1.0	-60.22	320.45	2.54	-57.68
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786883	0	42	-1.0	-50.12	356.21	5.62	-44.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010786884	0	40	-1.0	-67.39	355.05	2.10	-65.29
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010786885	0	30	-1.0	-44.06	276.10	4.70	-39.36
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300010786886	0	40	-1.0	-61.12	329.97	5.64	-55.48
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786887	0	34	-1.0	-62.79	305.09	6.38	-56.41
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786888	0	32	-1.0	-75.59	291.75	5.40	-70.19
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786889	0	35	-1.0	-53.59	311.79	6.25	-47.34
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786890	0	41	-1.0	-48.14	325.03	4.50	-43.64
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786891	0	35	-1.0	-68.61	316.06	2.51	-66.10
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010786892	0	45	-1.0	-47.59	368.51	1.72	-45.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786893	0	37	-1.0	-68.86	313.51	6.56	-62.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010786894	0	44	-1.0	-60.45	370.85	3.17	-57.28
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786895	0	39	-1.0	-50.21	325.46	3.75	-46.46
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786896	0	38	-1.0	-71.67	324.73	6.54	-65.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010786897	0	29	-1.0	-58.42	268.86	5.28	-53.14
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786898	0	48	-1.0	-59.77	383.49	6.74	-53.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010786899	0	32	-1.0	-62.75	307.83	6.43	-56.32
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786900	0	36	-1.0	-59.09	327.62	4.49	-54.60
CC1CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010786901	0	37	-1.0	-49.75	305.72	4.65	-45.10
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010786902	0	33	-1.0	-57.46	307.44	5.18	-52.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786903	0	41	-1.0	-63.15	335.28	3.61	-59.54
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CS1	REAL300010786904	0	32	-1.0	-55.01	296.28	3.73	-51.28
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786905	0	38	-1.0	-54.97	333.77	6.72	-48.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010786906	0	40	-1.0	-47.17	355.93	7.48	-39.69
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010786907	0	38	-1.0	-59.16	312.70	5.97	-53.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010786908	0	31	-1.0	-51.59	304.89	6.29	-45.30
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786909	0	33	-1.0	-53.52	305.70	5.69	-47.83
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786910	0	41	-1.0	-61.05	334.12	5.57	-55.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010786911	0	31	-1.0	-57.04	280.75	4.82	-52.22
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300010786912	0	43	-1.0	-49.14	360.60	7.63	-41.51
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010786913	0	32	-1.0	-62.52	287.10	2.49	-60.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010786914	0	29	-1.0	-44.02	276.58	5.15	-38.87
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010786915	0	40	-1.0	-63.60	328.06	4.81	-58.79
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010786916	0	39	-1.0	-58.47	326.67	5.79	-52.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010786917	0	29	-1.0	-54.56	277.26	3.94	-50.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010786918	0	42	-1.0	-54.08	369.92	6.22	-47.86
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010786919	0	35	-1.0	-59.72	323.90	5.38	-54.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010786920	0	35	-1.0	-64.61	340.62	5.90	-58.71
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786921	0	41	-1.0	-58.86	314.23	7.84	-51.02
CC1=CC(Br)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786922	0	29	-1.0	-60.87	289.56	5.44	-55.43
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300010786923	0	28	-1.0	-59.08	284.69	3.19	-55.89
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010786924	0	33	-1.0	-58.05	308.14	3.86	-54.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010786925	0	34	-1.0	-75.61	298.51	6.53	-69.08
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010786926	0	37	-1.0	-73.50	321.06	6.86	-66.64
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010786927	0	37	-1.0	-63.67	330.40	7.01	-56.66
CC1=NN2C=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010786928	0	34	-1.0	-54.79	316.35	4.94	-49.85
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300010786929	0	47	-1.0	-57.81	389.79	5.78	-52.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010786930	0	29	-1.0	-51.88	282.62	5.46	-46.42
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010786931	0	32	-1.0	-66.55	291.41	5.60	-60.95
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC[C@H]4C(=O)[O-])C=CC1=C23	REAL300010786932	0	40	-1.0	-61.57	335.35	6.60	-54.97
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786933	0	33	-1.0	-66.13	306.12	6.09	-60.04
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010786934	0	34	-1.0	-58.94	308.41	6.32	-52.62
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786935	0	35	-1.0	-53.10	301.46	5.81	-47.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300010786936	0	44	-1.0	-69.28	375.12	2.52	-66.76
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786937	1	44	-1.0	-59.41	368.56	2.38	-57.03
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786938	0	43	-1.0	-60.99	377.28	3.45	-57.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010786939	0	43	-1.0	-64.24	361.24	6.20	-58.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010786940	0	32	-1.0	-71.56	284.28	3.72	-67.84
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786941	0	32	-1.0	-59.58	286.01	6.10	-53.48
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786942	0	32	-1.0	-59.91	283.42	5.98	-53.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010786943	0	32	-1.0	-61.46	291.70	5.78	-55.68
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010786944	0	40	-1.0	-61.31	355.78	2.66	-58.65
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010786945	0	28	-1.0	-56.81	273.04	4.35	-52.46
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010786946	0	40	-1.0	-57.93	336.08	5.77	-52.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010786947	0	32	-1.0	-59.58	313.51	6.74	-52.84
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786948	0	37	-1.0	-75.96	330.64	3.19	-72.77
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010786949	0	29	-1.0	-41.92	279.35	5.52	-36.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010786950	0	28	-1.0	-52.75	274.34	3.95	-48.80
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010786951	0	34	-1.0	-54.80	306.10	3.83	-50.97
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(Cl)S1	REAL300010786952	0	32	-1.0	-64.19	319.20	1.55	-62.64
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786953	0	48	-1.0	-52.12	403.30	5.08	-47.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010786954	0	37	-1.0	-59.62	309.07	5.62	-54.00
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786955	0	39	-1.0	-48.69	318.06	4.90	-43.79
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010786956	0	43	-1.0	-51.12	383.77	1.73	-49.39
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786957	0	38	-1.0	-65.04	345.81	4.72	-60.32
O=C([O-])[C@@H]1CCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010786958	0	40	-1.0	-64.76	316.20	10.11	-54.65
CC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010786959	0	32	-1.0	-59.44	279.89	5.93	-53.51
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010786960	0	34	-1.0	-55.68	312.14	6.01	-49.67
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010786961	0	40	-1.0	-48.82	354.13	3.01	-45.81
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300010786962	0	42	-1.0	-49.34	350.91	6.76	-42.58
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786963	0	33	-1.0	-61.87	315.32	6.42	-55.45
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010786964	0	37	-1.0	-59.21	300.78	6.09	-53.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010786965	0	35	-1.0	-70.47	294.64	6.23	-64.24
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010786966	0	42	-1.0	-73.05	342.35	6.09	-66.96
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010786967	0	41	-1.0	-63.75	330.61	1.81	-61.94
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010786968	0	35	-1.0	-54.91	323.98	3.08	-51.83
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786969	0	38	-1.0	-56.31	338.42	6.64	-49.67
CCC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010786970	0	38	-1.0	-54.93	327.26	4.24	-50.69
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786971	0	42	-1.0	-59.06	360.94	6.68	-52.38
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300010786972	0	30	-1.0	-54.73	282.67	5.71	-49.02
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786973	0	33	-1.0	-59.39	305.79	5.53	-53.86
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010786974	0	34	-1.0	-65.41	303.31	5.01	-60.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010786975	0	49	-1.0	-72.83	372.56	6.55	-66.28
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010786976	0	43	-1.0	-60.95	348.54	5.29	-55.66
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010786977	0	40	-1.0	-60.96	354.15	5.82	-55.14
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010786978	0	35	-1.0	-55.18	304.38	2.62	-52.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010786979	0	31	-1.0	-52.50	290.07	4.24	-48.26
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])SC=N1	REAL300010786980	0	31	-1.0	-71.91	292.83	2.99	-68.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786981	0	35	-1.0	-60.04	316.57	5.71	-54.33
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Cl)=N1	REAL300010787001	0	31	-1.0	-56.51	278.63	4.07	-52.44
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787002	0	34	-1.0	-60.03	301.08	5.29	-54.74
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010787003	0	36	-1.0	-59.81	315.63	6.56	-53.25
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787004	0	33	-1.0	-59.68	310.58	6.47	-53.21
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787005	0	31	-1.0	-41.14	290.21	4.51	-36.63
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787006	0	39	-1.0	-73.07	339.53	1.52	-71.55
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300010787007	0	32	-1.0	-54.82	296.21	2.94	-51.88
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787008	0	38	-1.0	-63.90	331.30	5.95	-57.95
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010787009	0	44	-1.0	-62.43	369.12	5.43	-57.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010787010	0	28	-1.0	-59.55	276.54	4.77	-54.78
CC1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787012	0	35	-1.0	-46.64	303.31	5.64	-41.00
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787013	0	32	-1.0	-57.96	285.70	5.95	-52.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010787014	0	33	-1.0	-64.47	287.06	4.89	-59.58
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010787015	0	29	-1.0	-55.16	279.20	5.52	-49.64
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787016	0	37	-1.0	-52.33	300.45	4.99	-47.34
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C	REAL300010787017	0	56	-1.0	-60.26	440.64	9.47	-50.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010787018	0	38	-1.0	-53.47	315.60	5.69	-47.78
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787019	0	43	-1.0	-65.67	371.68	6.13	-59.54
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787020	0	30	-1.0	-59.94	282.70	5.71	-54.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010787021	0	32	-1.0	-62.64	299.32	4.08	-58.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010787022	0	44	-1.0	-85.03	366.22	5.80	-79.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010787023	0	35	-1.0	-57.89	322.55	7.88	-50.01
COC(=O)CCCCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787024	0	40	-1.0	-49.34	336.63	5.07	-44.27
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300010787025	0	34	-1.0	-56.45	299.73	4.12	-52.33
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787026	0	32	-1.0	-57.77	323.56	5.45	-52.32
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787027	0	37	-1.0	-47.17	315.99	2.27	-44.90
COCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789001	0	41	-1.0	-54.17	344.09	3.96	-50.21
COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789002	0	43	-1.0	-52.81	343.27	0.89	-51.92
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789003	0	34	-1.0	-55.89	301.37	4.86	-51.03
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789004	0	47	-1.0	-52.52	379.44	5.77	-46.75
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010789005	0	45	-1.0	-52.83	360.91	5.66	-47.17
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789006	0	44	-1.0	-52.19	359.81	5.19	-47.00
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789007	0	41	-1.0	-52.02	343.77	4.54	-47.48
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789008	0	35	-1.0	-51.66	318.36	3.39	-48.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010789009	0	35	-1.0	-53.53	322.80	3.56	-49.97
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789010	0	38	-1.0	-53.86	320.47	3.56	-50.30
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300010789011	0	44	-1.0	-53.45	356.19	5.06	-48.39
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010789012	0	38	-1.0	-53.83	312.33	3.63	-50.20
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789013	0	42	-1.0	-54.89	352.50	2.94	-51.95
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789014	0	42	-1.0	-59.53	363.58	3.20	-56.33
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010789015	0	46	-1.0	-54.25	373.67	2.94	-51.31
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010789016	0	34	-1.0	-53.14	305.94	4.93	-48.21
CC(C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010789017	0	37	-1.0	-44.31	338.36	1.55	-42.76
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789018	0	37	-1.0	-59.42	329.99	5.43	-53.99
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010789019	0	36	-1.0	-56.65	308.48	3.83	-52.82
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789020	0	37	-1.0	-51.67	343.58	4.70	-46.97
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789021	0	35	-1.0	-57.23	303.64	3.88	-53.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010789022	0	32	-1.0	-41.67	294.63	3.98	-37.69
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010789023	0	35	-1.0	-51.56	328.25	4.73	-46.83
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789024	0	48	-1.0	-59.30	408.95	2.70	-56.60
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1OC	REAL300010789025	0	41	-1.0	-56.81	352.99	4.22	-52.59
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789026	0	40	-1.0	-52.65	337.63	4.66	-47.99
CC(C)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010789027	0	41	-1.0	-60.09	334.73	-1.13	-61.22
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010789028	0	40	-1.0	-59.17	336.20	3.51	-55.66
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300010789029	0	40	-1.0	-56.85	341.42	4.78	-52.07
CCN1N=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300010789030	0	40	-1.0	-51.01	323.78	3.32	-47.69
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789031	0	40	-1.0	-57.49	338.10	4.81	-52.68
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010789032	0	43	-1.0	-56.87	316.13	5.66	-51.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010789033	0	44	-1.0	-58.15	373.34	6.39	-51.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010789034	0	39	-1.0	-53.57	337.40	2.92	-50.65
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010789036	0	38	-1.0	-58.56	336.71	4.81	-53.75
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789037	0	37	-1.0	-50.20	341.46	4.40	-45.80
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010789038	0	35	-1.0	-43.19	321.83	3.84	-39.35
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C1=CC=C(Cl)C=C1	REAL300010789039	0	41	-1.0	-54.91	364.58	5.57	-49.34
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(Br)O1	REAL300010789040	0	34	-1.0	-40.83	327.61	2.95	-37.88
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(Br)S1	REAL300010789041	0	31	-1.0	-52.39	298.96	4.02	-48.37
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1	REAL300010789042	0	35	-1.0	-54.20	316.99	1.89	-52.31
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010789043	0	32	-1.0	-48.41	307.12	4.32	-44.09
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300010789044	0	39	-1.0	-57.88	318.79	6.44	-51.44
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789045	0	37	-1.0	-43.12	336.36	4.74	-38.38
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789046	0	40	-1.0	-65.80	344.07	1.92	-63.88
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010789047	0	35	-1.0	-50.33	312.54	5.44	-44.89
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010789048	0	32	-1.0	-53.44	303.76	4.23	-49.21
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789049	0	47	-1.0	-53.83	383.79	5.28	-48.55
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010789050	0	42	-1.0	-59.83	360.89	3.50	-56.33
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010789051	0	43	-1.0	-55.59	376.56	1.29	-54.30
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789052	0	39	-1.0	-55.72	343.49	-0.36	-56.08
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789053	0	41	-1.0	-63.14	364.37	2.40	-60.74
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300010789054	0	34	-1.0	-54.18	308.30	2.29	-51.89
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789055	0	37	-1.0	-52.27	325.99	2.98	-49.29
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789056	1	33	-1.0	-62.98	295.65	5.19	-57.79
CC(C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010789057	0	34	-1.0	-54.93	323.95	5.20	-49.73
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)N1	REAL300010789058	0	44	-1.0	-57.23	364.76	4.14	-53.09
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010789059	0	31	-1.0	-56.22	286.44	4.34	-51.88
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S2)=CS1	REAL300010789060	0	37	-1.0	-53.58	351.09	4.10	-49.48
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010789061	0	51	-1.0	-52.01	401.44	7.09	-44.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010789062	0	41	-1.0	-57.03	364.12	3.05	-53.98
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010789063	0	31	-1.0	-51.20	295.32	4.55	-46.65
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789064	0	40	-1.0	-62.66	338.05	5.04	-57.62
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789065	0	33	-1.0	-52.46	301.89	5.49	-46.97
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010789066	0	39	-1.0	-45.09	330.06	2.79	-42.30
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010789067	0	42	-1.0	-57.26	343.62	3.55	-53.71
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789068	1	33	-1.0	-51.37	316.65	6.19	-45.18
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010789069	0	34	-1.0	-58.73	305.54	4.30	-54.43
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010789070	0	32	-1.0	-51.39	292.52	3.87	-47.52
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010789071	0	32	-1.0	-51.29	302.84	4.33	-46.96
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010789072	0	37	-1.0	-51.14	341.44	4.85	-46.29
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010789073	0	34	-1.0	-51.11	306.37	4.67	-46.44
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010789074	0	35	-1.0	-52.79	320.37	1.00	-51.79
COC(=O)CN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789075	0	37	-1.0	-62.73	331.13	2.31	-60.42
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010789076	0	37	-1.0	-52.41	324.59	6.25	-46.16
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010789077	0	36	-1.0	-46.92	320.38	5.71	-41.21
CC1=C(Br)SC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789078	0	31	-1.0	-51.92	306.76	3.89	-48.03
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789079	0	36	-1.0	-47.20	331.66	5.27	-41.93
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(F)=C1F	REAL300010789080	0	37	-1.0	-49.71	333.11	4.18	-45.53
CC(C)[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010789081	0	49	-1.0	-53.17	354.49	5.10	-48.07
CC1=NC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300010789082	0	39	-1.0	-53.60	335.11	4.87	-48.73
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010789083	0	42	-1.0	-55.21	350.83	2.09	-53.12
CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Br	REAL300010789084	0	34	-1.0	-54.04	302.91	4.74	-49.30
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789085	0	37	-1.0	-56.95	326.93	4.75	-52.20
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010789086	0	39	-1.0	-51.97	326.35	1.21	-50.76
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010789087	0	37	-1.0	-50.14	323.03	4.18	-45.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789088	0	37	-1.0	-55.96	322.08	5.40	-50.56
COCCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789089	0	38	-1.0	-51.16	331.45	1.15	-50.01
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010789090	0	37	-1.0	-52.97	343.88	4.66	-48.31
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010789091	0	44	-1.0	-55.39	360.33	6.08	-49.31
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789092	0	41	-1.0	-47.74	345.17	4.98	-42.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010789093	0	36	-1.0	-69.97	315.89	3.61	-66.36
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010789094	0	38	-1.0	-52.17	332.26	4.65	-47.52
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010789095	0	45	-1.0	-60.72	385.30	5.54	-55.18
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789096	0	33	-1.0	-54.76	315.32	4.65	-50.11
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010789097	0	32	-1.0	-56.02	295.14	3.74	-52.28
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789098	0	45	-1.0	-54.44	373.69	3.93	-50.51
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789099	0	47	-1.0	-52.52	383.37	6.03	-46.49
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789100	0	33	-1.0	-60.52	304.35	5.70	-54.82
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010789101	0	37	-1.0	-53.10	330.24	4.20	-48.90
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300010789102	0	37	-1.0	-49.26	348.40	5.15	-44.11
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789103	0	41	-1.0	-47.38	352.70	4.06	-43.32
COC(=O)C1=CSC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789104	0	34	-1.0	-52.84	316.19	3.14	-49.70
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789105	0	43	-1.0	-62.03	355.20	5.56	-56.47
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300010789106	0	40	-1.0	-52.23	338.36	4.62	-47.61
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789107	0	37	-1.0	-46.45	333.90	4.32	-42.13
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010789108	0	41	-1.0	-56.31	324.75	6.02	-50.29
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789109	0	37	-1.0	-59.66	315.10	5.28	-54.38
CC(C)[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010789110	0	30	-1.0	-49.00	283.23	2.27	-46.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010789111	0	35	-1.0	-52.10	323.91	4.91	-47.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010789112	0	45	-1.0	-54.34	377.93	1.40	-52.94
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010789113	0	31	-1.0	-51.60	299.84	4.20	-47.40
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010789114	0	38	-1.0	-65.05	335.57	1.38	-63.67
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789115	0	34	-1.0	-52.23	302.41	4.66	-47.57
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010789116	0	35	-1.0	-50.77	317.42	3.41	-47.36
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010789117	0	42	-1.0	-53.13	348.40	4.78	-48.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010789118	0	39	-1.0	-55.58	345.82	0.25	-55.33
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1OC	REAL300010789119	0	48	-1.0	-59.81	397.74	2.63	-57.18
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789120	0	35	-1.0	-55.79	314.60	3.54	-52.25
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789121	0	40	-1.0	-62.60	349.03	1.89	-60.71
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010789122	0	33	-1.0	-50.26	315.81	3.35	-46.91
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789123	0	36	-1.0	-46.80	322.83	4.50	-42.30
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010789124	0	32	-1.0	-51.55	314.93	4.52	-47.03
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010789125	0	38	-1.0	-53.96	342.68	4.41	-49.55
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010789126	0	36	-1.0	-53.01	321.64	-1.01	-54.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010789127	0	45	-1.0	-52.65	379.83	5.42	-47.23
COC(=O)CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789128	0	40	-1.0	-55.27	332.78	3.97	-51.30
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789129	0	36	-1.0	-52.77	325.46	3.60	-49.17
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010789130	0	39	-1.0	-65.05	334.44	4.78	-60.27
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789131	0	47	-1.0	-63.67	403.31	2.14	-61.53
CC(C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010789132	0	37	-1.0	-62.83	311.30	-0.12	-62.95
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010789133	0	41	-1.0	-56.23	351.16	4.43	-51.80
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010789134	0	36	-1.0	-54.67	315.15	3.65	-51.02
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010789135	0	41	-1.0	-54.50	336.07	4.58	-49.92
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789136	0	39	-1.0	-58.03	344.14	-0.39	-58.42
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789137	0	40	-1.0	-56.46	337.32	5.11	-51.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010789138	0	35	-1.0	-56.18	306.76	3.52	-52.66
CSC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789139	0	35	-1.0	-52.30	307.06	4.49	-47.81
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789140	0	43	-1.0	-50.88	369.04	5.90	-44.98
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010789141	0	37	-1.0	-54.77	331.13	3.34	-51.43
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789142	0	37	-1.0	-58.71	329.22	5.18	-53.53
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789143	0	42	-1.0	-55.89	338.85	5.23	-50.66
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010789144	0	30	-1.0	-42.46	298.48	2.74	-39.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010789145	0	37	-1.0	-47.93	311.41	3.20	-44.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010789146	0	36	-1.0	-54.23	305.36	3.90	-50.33
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789147	0	34	-1.0	-55.79	305.93	4.97	-50.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010789148	0	39	-1.0	-55.30	332.64	2.73	-52.57
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010789149	0	47	-1.0	-56.84	381.99	4.40	-52.44
COC1=CC(Br)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010789150	0	39	-1.0	-52.31	343.35	3.39	-48.92
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OCC	REAL300010789151	0	45	-1.0	-55.19	375.27	4.58	-50.61
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010789152	0	37	-1.0	-53.85	315.72	2.50	-51.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010789153	0	36	-1.0	-57.59	327.08	-1.51	-59.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010789154	0	42	-1.0	-63.48	345.35	4.56	-58.92
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010789155	0	45	-1.0	-64.27	359.94	5.09	-59.18
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300010789156	0	39	-1.0	-58.90	330.33	5.53	-53.37
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789157	0	37	-1.0	-52.39	327.59	4.20	-48.19
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010789158	0	42	-1.0	-59.26	346.80	4.50	-54.76
CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789159	0	38	-1.0	-54.30	323.29	1.75	-52.55
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010789160	0	35	-1.0	-54.85	302.02	0.22	-54.63
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2CC1C	REAL300010789161	0	45	-1.0	-55.51	367.50	5.09	-50.42
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CS1	REAL300010789162	0	34	-1.0	-58.43	306.96	3.91	-54.52
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789163	0	34	-1.0	-51.86	315.87	3.22	-48.64
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789164	0	35	-1.0	-53.41	324.15	4.61	-48.80
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789165	0	37	-1.0	-66.22	324.54	2.20	-64.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010789166	0	37	-1.0	-58.08	324.09	0.44	-57.64
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010789167	0	37	-1.0	-55.25	317.59	0.71	-54.54
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010789168	0	37	-1.0	-54.25	334.65	1.28	-52.97
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2N=C1	REAL300010789169	0	39	-1.0	-60.95	332.21	4.95	-56.00
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300010789170	0	37	-1.0	-55.49	314.87	4.31	-51.18
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789171	0	35	-1.0	-42.08	310.52	3.86	-38.22
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010789172	0	35	-1.0	-53.60	315.66	3.88	-49.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010789173	0	36	-1.0	-61.28	321.11	-1.57	-62.85
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789174	0	37	-1.0	-54.79	321.65	4.12	-50.67
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010789175	0	43	-1.0	-56.72	376.54	1.29	-55.43
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010789176	0	36	-1.0	-57.09	322.77	4.91	-52.18
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1	REAL300010789177	0	34	-1.0	-42.48	299.31	4.70	-37.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010789178	0	37	-1.0	-62.00	323.03	-0.18	-62.18
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010789179	0	37	-1.0	-59.56	328.24	0.97	-58.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010789180	0	38	-1.0	-55.69	333.38	2.71	-52.98
CC(C)[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010789181	0	39	-1.0	-55.90	332.81	4.92	-50.98
CC(C)[C@@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010789182	0	40	-1.0	-52.23	320.74	4.61	-47.62
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010789183	0	39	-1.0	-54.95	324.23	4.82	-50.13
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010789184	0	37	-1.0	-59.14	321.61	3.40	-55.74
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010789185	0	36	-1.0	-52.73	315.18	4.92	-47.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789186	0	39	-1.0	-58.97	325.51	6.19	-52.78
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300010789187	0	45	-1.0	-54.08	361.97	4.14	-49.94
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010789188	0	35	-1.0	-49.51	312.86	3.26	-46.25
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010789189	0	42	-1.0	-60.90	363.04	1.44	-59.46
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010789190	0	31	-1.0	-39.72	287.72	4.19	-35.53
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789191	0	33	-1.0	-56.55	303.76	5.52	-51.03
CC(C)[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010789192	0	43	-1.0	-66.27	357.71	2.88	-63.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010789193	0	41	-1.0	-57.33	337.53	7.31	-50.02
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789194	0	40	-1.0	-54.43	343.51	5.05	-49.38
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789195	0	45	-1.0	-58.58	354.03	3.03	-55.55
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010789196	0	31	-1.0	-50.30	288.16	4.10	-46.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010789197	0	33	-1.0	-48.98	299.15	4.19	-44.79
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010789198	0	37	-1.0	-55.76	318.74	5.81	-49.95
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789199	0	38	-1.0	-58.04	327.28	2.41	-55.63
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789200	0	36	-1.0	-60.61	313.02	5.01	-55.60
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789201	0	33	-1.0	-59.33	285.41	4.99	-54.34
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789202	0	38	-1.0	-42.91	341.10	4.95	-37.96
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789203	0	38	-1.0	-53.37	324.18	3.76	-49.61
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010789204	0	37	-1.0	-54.28	317.33	2.69	-51.59
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789205	0	46	-1.0	-56.87	359.55	6.72	-50.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010789206	0	31	-1.0	-51.08	299.45	4.41	-46.67
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010789207	0	31	-1.0	-40.14	298.04	4.64	-35.50
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789208	0	34	-1.0	-51.46	311.57	4.54	-46.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789209	0	34	-1.0	-59.65	288.83	4.35	-55.30
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789210	0	34	-1.0	-51.20	322.82	4.93	-46.27
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010789211	0	34	-1.0	-39.85	320.20	5.11	-34.74
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010789212	0	31	-1.0	-51.66	295.43	4.08	-47.58
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=CO1	REAL300010789213	0	40	-1.0	-56.03	343.96	2.50	-53.53
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010789214	0	30	-1.0	-46.97	294.69	2.53	-44.44
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789215	0	35	-1.0	-44.22	310.78	3.41	-40.81
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300010789216	0	40	-1.0	-59.55	352.25	6.51	-53.04
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789217	0	40	-1.0	-59.19	347.88	4.97	-54.22
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N2)C=C1	REAL300010789218	0	41	-1.0	-52.67	355.58	5.35	-47.32
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C21	REAL300010789219	0	42	-1.0	-75.35	348.03	4.55	-70.80
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010789220	0	32	-1.0	-54.12	301.51	4.24	-49.88
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300010789221	0	45	-1.0	-57.11	368.73	3.27	-53.84
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010789222	0	39	-1.0	-50.22	344.72	4.65	-45.57
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010789223	0	36	-1.0	-48.71	311.07	4.65	-44.06
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300010789224	0	45	-1.0	-47.63	382.46	6.05	-41.58
COC(=O)C1=COC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789225	0	34	-1.0	-54.00	307.98	2.26	-51.74
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789226	0	42	-1.0	-59.12	361.41	4.31	-54.81
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010789227	0	33	-1.0	-52.59	304.86	3.00	-49.59
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789228	0	41	-1.0	-63.08	338.27	3.73	-59.35
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300010789229	0	41	-1.0	-63.10	342.41	3.25	-59.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010789230	0	43	-1.0	-54.18	345.15	4.07	-50.11
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010789231	0	33	-1.0	-48.17	297.57	2.69	-45.48
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010789232	0	37	-1.0	-55.08	318.20	2.52	-52.56
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010789233	0	40	-1.0	-55.13	346.61	5.21	-49.92
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789234	0	39	-1.0	-55.67	329.93	2.13	-53.54
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010789235	0	37	-1.0	-58.64	315.77	4.80	-53.84
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1CC	REAL300010789236	0	43	-1.0	-54.55	343.90	6.04	-48.51
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789237	0	39	-1.0	-47.22	326.32	5.76	-41.46
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)O1	REAL300010789238	0	37	-1.0	-56.83	329.70	3.00	-53.83
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010789239	0	32	-1.0	-51.25	294.44	1.51	-49.74
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789240	0	33	-1.0	-54.34	300.40	2.30	-52.04
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300010789241	0	37	-1.0	-50.34	313.92	4.81	-45.53
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010789242	0	39	-1.0	-60.51	326.44	1.92	-58.59
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300010789243	0	38	-1.0	-55.07	334.78	3.65	-51.42
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010789244	0	31	-1.0	-49.43	295.96	4.10	-45.33
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789245	0	42	-1.0	-52.12	349.30	5.30	-46.82
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010789246	0	34	-1.0	-57.12	313.09	4.75	-52.37
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010789247	0	36	-1.0	-55.38	309.86	-0.36	-55.74
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789248	0	34	-1.0	-52.35	301.56	4.86	-47.49
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789249	0	42	-1.0	-62.35	345.20	4.21	-58.14
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300010789250	0	39	-1.0	-54.82	331.52	1.14	-53.68
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300010789251	0	41	-1.0	-49.69	325.40	4.48	-45.21
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010789252	0	39	-1.0	-42.97	341.64	3.27	-39.70
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789253	0	40	-1.0	-58.94	351.27	4.89	-54.05
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010789254	0	42	-1.0	-55.53	348.34	3.67	-51.86
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789255	0	40	-1.0	-65.40	351.27	4.89	-60.51
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300010789256	0	37	-1.0	-54.20	330.16	3.22	-50.98
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010789257	0	42	-1.0	-55.22	357.04	7.63	-47.59
COC(=O)COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789258	0	41	-1.0	-56.93	353.38	4.37	-52.56
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789259	0	44	-1.0	-56.62	377.73	4.59	-52.03
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789260	0	41	-1.0	-55.19	332.39	4.36	-50.83
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010789261	0	35	-1.0	-56.49	309.29	3.89	-52.60
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789262	0	34	-1.0	-57.37	306.53	5.55	-51.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789263	0	33	-1.0	-52.14	306.47	5.60	-46.54
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789264	0	36	-1.0	-58.57	300.76	5.73	-52.84
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010789265	0	33	-1.0	-46.57	313.07	4.84	-41.73
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010789266	0	28	-1.0	-54.76	278.00	2.91	-51.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010789267	0	35	-1.0	-52.27	306.62	3.86	-48.41
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300010789268	0	39	-1.0	-54.81	316.23	4.71	-50.10
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010789269	0	33	-1.0	-57.20	308.17	2.87	-54.33
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010789270	0	39	-1.0	-54.73	338.50	2.80	-51.93
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010789271	0	36	-1.0	-57.01	305.03	4.07	-52.94
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010789272	0	30	-1.0	-40.88	303.24	2.93	-37.95
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010789273	0	33	-1.0	-41.22	307.36	4.35	-36.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010789274	0	33	-1.0	-49.23	315.32	4.64	-44.59
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789275	0	40	-1.0	-58.35	339.06	1.85	-56.50
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010789276	0	36	-1.0	-53.98	318.78	4.36	-49.62
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789277	0	33	-1.0	-56.82	301.11	4.65	-52.17
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789278	0	33	-1.0	-50.93	301.46	4.21	-46.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010789279	0	38	-1.0	-54.07	343.75	4.22	-49.85
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789280	0	33	-1.0	-56.45	308.31	5.62	-50.83
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010789281	0	45	-1.0	-53.52	378.12	6.75	-46.77
CC(C)[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010789282	0	46	-1.0	-64.12	350.43	5.91	-58.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010789283	0	39	-1.0	-46.88	352.53	0.24	-46.64
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789284	0	39	-1.0	-58.93	334.00	4.79	-54.14
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789285	0	44	-1.0	-53.20	353.28	2.20	-51.00
COC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300010789286	0	40	-1.0	-56.48	344.07	4.54	-51.94
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010789287	0	41	-1.0	-57.37	359.65	5.12	-52.25
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789288	0	53	-1.0	-54.27	405.58	6.34	-47.93
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789289	0	37	-1.0	-58.23	339.55	4.83	-53.40
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010789290	0	39	-1.0	-60.37	344.49	0.23	-60.14
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010789291	0	37	-1.0	-61.91	336.00	1.06	-60.85
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1F	REAL300010789292	0	34	-1.0	-49.90	300.97	4.24	-45.66
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789293	0	38	-1.0	-58.11	340.47	4.59	-53.52
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010789294	0	43	-1.0	-55.16	363.53	5.07	-50.09
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2F)N=C1	REAL300010789295	0	41	-1.0	-52.33	350.46	5.33	-47.00
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789296	0	38	-1.0	-57.59	338.98	2.02	-55.57
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789297	0	38	-1.0	-60.72	331.25	-1.81	-62.53
CC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789298	0	34	-1.0	-43.10	300.51	4.31	-38.79
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789299	0	36	-1.0	-54.63	325.36	5.29	-49.34
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300010789300	0	37	-1.0	-51.83	325.15	4.67	-47.16
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010789301	0	28	-1.0	-48.77	296.82	3.75	-45.02
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010789302	0	43	-1.0	-56.99	367.79	5.57	-51.42
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010789303	0	31	-1.0	-40.94	296.63	4.24	-36.70
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010789304	0	37	-1.0	-51.10	321.96	4.96	-46.14
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010789305	0	37	-1.0	-58.76	346.90	4.30	-54.46
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300010789306	0	39	-1.0	-51.20	333.87	3.15	-48.05
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789307	0	38	-1.0	-58.79	341.36	4.12	-54.67
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010789308	0	34	-1.0	-58.80	317.75	4.81	-53.99
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300010789309	0	35	-1.0	-53.69	312.62	0.49	-53.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010789310	0	40	-1.0	-55.65	352.46	6.37	-49.28
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010789311	0	33	-1.0	-57.20	308.17	2.87	-54.33
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010789312	0	33	-1.0	-54.31	312.69	4.93	-49.38
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789313	0	37	-1.0	-58.77	317.73	4.97	-53.80
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010789314	0	34	-1.0	-55.77	308.03	4.70	-51.07
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010789315	0	43	-1.0	-69.17	367.52	2.02	-67.15
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010789316	0	38	-1.0	-56.43	336.49	3.98	-52.45
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010789317	0	31	-1.0	-40.15	302.60	4.73	-35.42
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010789318	0	39	-1.0	-57.37	349.11	3.41	-53.96
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010789319	0	39	-1.0	-48.97	340.63	0.91	-48.06
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010789320	0	40	-1.0	-53.14	352.08	5.12	-48.02
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010789321	0	39	-1.0	-56.15	329.65	4.14	-52.01
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010789322	0	34	-1.0	-52.09	327.12	5.49	-46.60
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300010789323	0	37	-1.0	-57.69	336.10	6.36	-51.33
CC(C)[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010789324	0	34	-1.0	-52.44	322.04	5.35	-47.09
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010789325	0	37	-1.0	-59.63	319.05	6.35	-53.28
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010789326	0	37	-1.0	-58.12	328.70	6.31	-51.81
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C2O1	REAL300010789327	0	45	-1.0	-55.14	380.38	5.72	-49.42
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010789328	0	37	-1.0	-56.98	331.96	1.01	-55.97
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010789329	0	44	-1.0	-57.29	378.34	5.09	-52.20
CC(C)[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010789330	0	42	-1.0	-60.61	367.40	0.51	-60.10
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010789331	1	32	-1.0	-53.82	298.73	4.15	-49.67
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1N(C)C	REAL300010789332	0	42	-1.0	-52.62	345.82	4.19	-48.43
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789333	0	36	-1.0	-56.28	324.80	5.18	-51.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010789334	0	34	-1.0	-56.58	311.41	4.22	-52.36
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789335	0	37	-1.0	-56.02	330.00	5.43	-50.59
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789336	0	43	-1.0	-51.73	343.75	4.00	-47.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010789337	0	37	-1.0	-63.14	331.63	1.04	-62.10
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300010789338	0	47	-1.0	-59.58	392.50	1.19	-58.39
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789339	0	45	-1.0	-54.70	356.87	3.90	-50.80
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789340	0	39	-1.0	-50.92	330.35	4.87	-46.05
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010789341	0	46	-1.0	-61.14	388.80	2.60	-58.54
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789342	0	41	-1.0	-58.32	344.18	3.15	-55.17
CC(C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010789343	0	34	-1.0	-58.57	318.51	4.78	-53.79
CC(C)[C@@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789344	0	32	-1.0	-56.43	282.18	4.07	-52.36
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789345	0	40	-1.0	-60.29	335.30	5.29	-55.00
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010789346	0	31	-1.0	-40.39	287.73	4.18	-36.21
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789347	0	50	-1.0	-65.89	398.29	6.99	-58.90
CC(C)[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010789348	0	34	-1.0	-56.20	321.60	5.15	-51.05
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789349	0	38	-1.0	-55.38	348.19	3.11	-52.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010789350	0	39	-1.0	-53.95	329.77	4.15	-49.80
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789351	0	35	-1.0	-52.89	329.59	3.91	-48.98
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789352	0	43	-1.0	-59.81	355.90	2.42	-57.39
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300010789353	0	34	-1.0	-59.66	320.41	3.21	-56.45
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789354	0	40	-1.0	-59.85	351.85	5.93	-53.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010789355	0	42	-1.0	-53.63	378.27	6.91	-46.72
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300010789356	0	40	-1.0	-53.66	331.25	4.64	-49.02
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789357	0	33	-1.0	-51.45	317.02	4.74	-46.71
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789358	0	35	-1.0	-48.58	326.55	4.29	-44.29
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789359	0	43	-1.0	-55.45	349.76	4.07	-51.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789360	0	33	-1.0	-58.68	299.15	4.19	-54.49
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=C1	REAL300010789361	0	45	-1.0	-52.18	376.99	6.99	-45.19
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789362	0	38	-1.0	-45.77	315.75	4.03	-41.74
CC(C)[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010789363	0	45	-1.0	-61.26	391.31	2.37	-58.89
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010789364	0	34	-1.0	-57.11	302.67	1.02	-56.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010789365	0	39	-1.0	-54.75	333.76	3.95	-50.80
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010789366	0	31	-1.0	-50.14	294.65	4.57	-45.57
COC(=O)C1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789367	0	42	-1.0	-54.98	335.25	2.99	-51.99
COC1=C(C)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789368	0	41	-1.0	-52.64	340.47	4.36	-48.28
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300010789369	0	40	-1.0	-59.45	363.94	4.69	-54.76
COCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789370	0	38	-1.0	-55.89	326.01	3.24	-52.65
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010789371	0	31	-1.0	-55.53	297.47	3.50	-52.03
CC(C)[C@@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010789372	0	40	-1.0	-58.85	346.10	5.29	-53.56
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010789373	0	37	-1.0	-53.03	337.57	4.21	-48.82
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010789374	0	37	-1.0	-57.31	355.31	4.75	-52.56
CC(C)[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010789375	0	34	-1.0	-54.03	309.74	1.72	-52.31
CC1=NC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2O1	REAL300010789376	0	36	-1.0	-54.30	314.57	1.18	-53.12
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789377	0	43	-1.0	-52.81	323.79	6.77	-46.04
CC1=CC(Br)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789379	0	31	-1.0	-54.08	293.46	3.32	-50.76
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010789380	0	36	-1.0	-47.04	332.68	4.43	-42.61
CC1=C(Br)SC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300010789381	1	30	-1.0	-50.22	292.07	1.48	-48.74
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789382	0	36	-1.0	-56.42	316.88	4.84	-51.58
CC(C)[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010789383	0	35	-1.0	-50.61	319.59	2.33	-48.28
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789384	0	36	-1.0	-61.21	314.54	5.30	-55.91
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789385	0	39	-1.0	-60.54	337.46	5.41	-55.13
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010789386	0	39	-1.0	-57.71	344.27	5.70	-52.01
CC1=NN2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300010789387	0	36	-1.0	-49.76	330.25	3.33	-46.43
CCCCCCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010789388	0	49	-1.0	-51.97	408.21	4.40	-47.57
CC(C)[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010789390	0	34	-1.0	-60.24	301.78	4.22	-56.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010789391	0	42	-1.0	-55.07	353.86	5.45	-49.62
CC(C)[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010789392	0	35	-1.0	-59.34	320.70	4.66	-54.68
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300010789393	0	36	-1.0	-54.96	325.88	4.85	-50.11
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789394	0	37	-1.0	-55.92	319.67	4.98	-50.94
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300010789395	0	46	-1.0	-48.51	396.46	0.90	-47.61
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789396	1	46	-1.0	-66.12	388.24	0.70	-65.42
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789397	0	45	-1.0	-54.30	388.77	1.93	-52.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010789398	0	45	-1.0	-53.37	372.73	4.67	-48.70
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010789399	0	34	-1.0	-71.93	305.39	3.38	-68.55
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789400	0	34	-1.0	-54.19	306.60	4.89	-49.30
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789401	0	34	-1.0	-43.63	302.87	4.77	-38.86
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010789402	0	34	-1.0	-59.54	308.17	4.32	-55.22
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789403	0	42	-1.0	-55.42	367.93	1.11	-54.31
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010789404	0	30	-1.0	-54.04	282.40	2.80	-51.24
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C12	REAL300010789405	0	42	-1.0	-53.04	358.23	4.50	-48.54
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010789406	0	34	-1.0	-55.11	323.92	5.27	-49.84
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010789407	0	39	-1.0	-52.31	353.28	1.90	-50.41
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010789408	0	31	-1.0	-48.40	296.99	4.84	-43.56
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789409	0	30	-1.0	-37.40	294.21	2.71	-34.69
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789410	0	36	-1.0	-49.46	321.71	2.35	-47.11
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010789411	0	34	-1.0	-57.66	339.91	0.60	-57.06
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010789412	0	50	-1.0	-62.96	428.42	4.53	-58.43
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010789413	0	39	-1.0	-54.90	326.54	4.17	-50.73
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789414	0	41	-1.0	-53.16	336.14	4.32	-48.84
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789415	0	45	-1.0	-60.53	402.92	1.13	-59.40
COCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789416	0	38	-1.0	-55.34	327.90	3.28	-52.06
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010789417	0	40	-1.0	-51.58	357.68	3.07	-48.51
CC(C)[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010789418	0	42	-1.0	-60.40	343.62	10.50	-49.90
CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010789419	0	34	-1.0	-54.22	300.73	4.64	-49.58
CC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010789420	0	36	-1.0	-49.13	328.45	4.55	-44.58
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010789421	0	42	-1.0	-54.36	378.31	2.52	-51.84
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300010789422	0	44	-1.0	-54.90	365.24	6.10	-48.80
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010789423	0	35	-1.0	-55.28	329.66	5.00	-50.28
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010789424	0	40	-1.0	-65.75	335.55	7.24	-58.51
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010789425	0	34	-1.0	-51.81	298.88	2.19	-49.62
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010789426	0	39	-1.0	-67.52	324.72	5.46	-62.06
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010789427	0	37	-1.0	-60.51	315.00	5.00	-55.51
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010789428	0	44	-1.0	-65.92	365.52	4.87	-61.05
CC(C)[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010789429	0	43	-1.0	-56.87	344.47	0.50	-56.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010789430	0	37	-1.0	-50.14	339.58	1.58	-48.56
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789431	0	40	-1.0	-51.85	355.87	5.18	-46.67
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789432	0	38	-1.0	-53.72	315.64	3.52	-50.20
CCC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300010789433	0	40	-1.0	-56.27	350.03	3.85	-52.42
CC(C)[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010789434	0	48	-1.0	-60.69	381.01	5.21	-55.48
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789435	0	44	-1.0	-54.52	383.68	5.29	-49.23
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010789436	0	32	-1.0	-39.35	302.06	4.52	-34.83
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789437	0	35	-1.0	-42.04	328.88	4.09	-37.95
CC(C)[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010789438	0	38	-1.0	-64.72	319.84	3.61	-61.11
CC(C)[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010789439	0	36	-1.0	-63.76	319.80	3.57	-60.19
CC(C)[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010789440	0	51	-1.0	-54.97	385.58	5.04	-49.93
CC(C)[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010789441	0	45	-1.0	-55.16	359.92	3.53	-51.63
CC(C)[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010789442	0	42	-1.0	-60.55	369.44	4.39	-56.16
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789443	0	37	-1.0	-51.98	321.92	1.13	-50.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010789444	0	33	-1.0	-50.32	306.46	2.80	-47.52
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)SC=N1	REAL300010789445	1	33	-1.0	-60.03	298.01	1.51	-58.52
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789446	0	37	-1.0	-52.28	334.01	4.26	-48.02
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790001	0	43	-1.0	-61.61	357.74	7.27	-54.34
CC(C)[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010790002	0	45	-1.0	-55.02	333.65	4.21	-50.81
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010790003	0	31	-1.0	-53.43	292.61	2.72	-50.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790004	0	35	-1.0	-41.62	309.26	3.46	-38.16
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010790005	0	45	-1.0	-53.56	366.09	2.64	-50.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010790006	0	37	-1.0	-55.81	324.16	5.04	-50.77
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010790007	0	35	-1.0	-53.04	310.18	3.10	-49.94
CC(C)[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010790008	0	46	-1.0	-54.45	362.96	6.09	-48.36
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300010790009	0	42	-1.0	-66.72	343.46	5.90	-60.82
CC(C)[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010790010	0	39	-1.0	-53.55	322.34	3.57	-49.98
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790011	0	41	-1.0	-56.84	344.47	4.13	-52.71
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790012	0	40	-1.0	-59.05	347.26	5.68	-53.37
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010790013	0	34	-1.0	-53.39	330.76	5.56	-47.83
CC(C)[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010790014	0	41	-1.0	-51.59	353.21	4.75	-46.84
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010790015	0	44	-1.0	-53.63	354.09	4.43	-49.20
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010790016	0	34	-1.0	-53.91	322.15	5.69	-48.22
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010790017	0	42	-1.0	-52.94	361.52	6.38	-46.56
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790018	0	43	-1.0	-61.44	358.33	6.22	-55.22
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300010790019	0	37	-1.0	-50.74	324.60	5.22	-45.52
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010790020	0	36	-1.0	-52.90	326.90	4.87	-48.03
CC(C)[C@@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010790021	0	30	-1.0	-58.61	291.40	1.70	-56.91
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010790022	0	32	-1.0	-46.97	299.54	4.03	-42.94
CC(C)[C@@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010790023	0	35	-1.0	-58.53	309.74	3.01	-55.52
CC(C)[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010790024	0	37	-1.0	-49.53	342.51	5.05	-44.48
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010790025	0	30	-1.0	-46.32	284.58	2.12	-44.20
CC(C)[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010790026	0	43	-1.0	-59.73	351.48	1.18	-58.55
CCN1N=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010790027	0	34	-1.0	-52.24	310.39	2.41	-49.83
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010790028	0	35	-1.0	-54.04	318.26	5.21	-48.83
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2	REAL300010790029	0	37	-1.0	-52.42	353.19	4.70	-47.72
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010790031	0	33	-1.0	-47.55	312.58	2.83	-44.72
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010790032	0	36	-1.0	-61.85	325.22	4.67	-57.18
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010790033	0	36	-1.0	-58.12	324.31	4.45	-53.67
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010790034	0	33	-1.0	-47.55	312.58	2.83	-44.72
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010790035	0	34	-1.0	-53.39	330.76	5.56	-47.83
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010790036	0	40	-1.0	-58.01	327.47	6.39	-51.62
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790037	0	35	-1.0	-61.88	317.90	4.42	-57.46
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010790038	0	38	-1.0	-55.11	325.46	3.81	-51.30
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010790039	0	45	-1.0	-53.18	372.10	4.97	-48.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010790040	0	31	-1.0	-42.71	301.13	4.23	-38.48
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300010790041	0	37	-1.0	-61.44	331.75	-0.18	-61.62
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010790042	0	41	-1.0	-55.25	342.52	4.99	-50.26
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010790043	0	37	-1.0	-56.18	338.33	1.39	-54.79
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010790044	0	35	-1.0	-53.38	306.41	4.77	-48.61
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010790045	0	35	-1.0	-53.52	327.27	5.38	-48.14
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010790046	0	35	-1.0	-52.76	321.28	5.32	-47.44
CC(C)[C@@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010790047	0	36	-1.0	-62.56	313.98	-2.53	-65.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010790048	0	33	-1.0	-53.20	297.77	2.86	-50.34
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010790049	0	40	-1.0	-59.76	342.23	2.76	-57.00
CC(C)[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010790050	0	48	-1.0	-57.86	344.41	6.32	-51.54
CC(C)[C@@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010790051	0	39	-1.0	-53.89	305.73	3.93	-49.96
CC(C)[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010790052	0	39	-1.0	-66.36	343.19	0.33	-66.03
CC(C)[C@@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010790053	0	44	-1.0	-58.41	346.98	3.88	-54.53
CCOC(=O)C1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2C=CC=CN12	REAL300010790054	0	43	-1.0	-65.84	369.76	5.21	-60.63
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010790055	0	35	-1.0	-64.52	315.37	2.48	-62.04
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2C=C1	REAL300010790056	0	40	-1.0	-61.24	348.61	5.57	-55.67
CC(C)[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010790057	0	41	-1.0	-58.09	350.69	6.34	-51.75
CC(C)[C@@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010790058	0	40	-1.0	-61.88	319.88	0.92	-60.96
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790059	0	40	-1.0	-62.89	343.73	4.40	-58.49
CC(C)[C@@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010790060	0	44	-1.0	-55.69	338.55	5.54	-50.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010790061	0	35	-1.0	-54.41	315.44	4.87	-49.54
COC(=O)C1CCCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790062	0	42	-1.0	-58.53	322.91	3.76	-54.77
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010790063	0	53	-1.0	-55.94	402.54	7.72	-48.22
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790064	0	34	-1.0	-56.53	312.31	4.28	-52.25
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010790065	0	42	-1.0	-55.60	346.77	4.57	-51.03
CC1=CC=CC(CNS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790066	0	39	-1.0	-53.28	329.57	3.42	-49.86
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=NN1	REAL300010790067	0	37	-1.0	-53.29	332.35	1.36	-51.93
COC1=CSC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300010790068	0	36	-1.0	-55.03	322.09	2.14	-52.89
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790069	1	34	-1.0	-50.50	326.71	2.85	-47.65
CC(C)[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010790070	0	43	-1.0	-53.30	326.19	3.86	-49.44
CC(C)[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010790071	0	42	-1.0	-54.28	352.47	5.40	-48.88
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790072	0	35	-1.0	-55.29	316.79	4.64	-50.65
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010790073	0	35	-1.0	-53.18	319.63	4.44	-48.74
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010790074	0	35	-1.0	-56.60	309.41	3.07	-53.53
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010790075	0	35	-1.0	-56.22	316.38	3.16	-53.06
CC(C)[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010790076	0	37	-1.0	-52.23	309.99	3.45	-48.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010790077	0	34	-1.0	-53.05	296.80	4.88	-48.17
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010790078	0	40	-1.0	-52.90	351.70	4.00	-48.90
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010790079	0	28	-1.0	-48.00	298.68	3.65	-44.35
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790080	0	44	-1.0	-51.51	361.80	5.83	-45.68
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=C1N(C)C(=O)C2(C)C	REAL300010790081	0	48	-1.0	-53.71	391.25	5.43	-48.28
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010790082	0	34	-1.0	-52.94	327.59	4.91	-48.03
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010790083	0	36	-1.0	-56.02	320.19	4.12	-51.90
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790084	0	39	-1.0	-56.97	318.81	2.82	-54.15
CC(C)[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010790085	0	28	-1.0	-53.16	277.77	2.97	-50.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010790086	0	42	-1.0	-57.35	361.31	6.43	-50.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010790087	0	37	-1.0	-67.09	302.59	4.72	-62.37
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790088	0	34	-1.0	-65.40	297.96	1.19	-64.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010790089	0	36	-1.0	-52.23	321.77	2.05	-50.18
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010790090	0	32	-1.0	-44.15	306.74	2.26	-41.89
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790091	0	33	-1.0	-51.63	295.10	2.95	-48.68
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790092	0	42	-1.0	-54.51	351.21	5.07	-49.44
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300010790093	0	41	-1.0	-45.71	343.36	4.23	-41.48
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300010790094	0	35	-1.0	-64.63	306.99	2.84	-61.79
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010790095	0	37	-1.0	-53.33	330.13	6.22	-47.11
CC(=O)OC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300010790096	0	39	-1.0	-54.36	329.41	2.65	-51.71
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010790097	0	41	-1.0	-52.90	358.45	7.37	-45.53
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(Cl)S1	REAL300010790098	0	34	-1.0	-55.77	326.05	4.47	-51.30
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010790099	0	37	-1.0	-51.12	326.57	5.31	-45.81
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790100	0	44	-1.0	-49.93	354.35	4.69	-45.24
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790101	0	45	-1.0	-60.50	377.71	3.91	-56.59
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010790102	0	37	-1.0	-54.79	327.56	6.35	-48.44
CC(C)[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010790103	0	39	-1.0	-50.28	319.71	1.15	-49.13
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010790104	0	37	-1.0	-52.63	335.76	3.35	-49.28
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790105	0	45	-1.0	-64.86	378.02	4.16	-60.70
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010790106	0	46	-1.0	-54.40	369.41	3.82	-50.58
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790107	0	34	-1.0	-52.58	315.56	1.31	-51.27
COC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010790108	0	37	-1.0	-50.20	314.23	0.89	-49.31
CC(C)CN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010790109	0	40	-1.0	-55.99	335.77	3.55	-52.44
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790110	0	40	-1.0	-53.56	333.72	3.18	-50.38
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010790111	0	30	-1.0	-50.63	297.42	1.63	-49.00
CC(C)[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010790112	0	41	-1.0	-54.92	327.17	1.05	-53.87
COCC1=CC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=NO1	REAL300010790113	0	37	-1.0	-57.88	327.06	1.41	-56.47
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010790114	0	34	-1.0	-64.48	317.56	3.32	-61.16
CC(C)[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010790115	1	29	-1.0	-53.76	284.50	1.51	-52.25
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010790116	0	35	-1.0	-65.05	316.69	1.50	-63.55
CC1=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)S1	REAL300010790117	0	37	-1.0	-53.03	314.31	4.88	-48.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010790118	0	28	-1.0	-50.98	287.75	3.69	-47.29
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790119	0	35	-1.0	-42.76	319.37	4.04	-38.72
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010790120	0	33	-1.0	-55.18	303.62	2.59	-52.59
COC1=NC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Cl	REAL300010790121	0	34	-1.0	-44.33	308.09	0.82	-43.51
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010790122	0	40	-1.0	-57.03	349.72	2.56	-54.47
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790123	0	38	-1.0	-57.58	329.91	1.31	-56.27
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790124	0	35	-1.0	-52.56	336.93	5.71	-46.85
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790125	0	36	-1.0	-55.15	318.98	5.52	-49.63
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010790126	1	30	-1.0	-57.98	293.14	2.58	-55.40
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010790127	0	42	-1.0	-54.03	341.28	3.84	-50.19
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010790128	0	39	-1.0	-54.95	324.23	4.82	-50.13
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010790129	0	39	-1.0	-49.24	333.69	2.85	-46.39
CC(C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790130	0	34	-1.0	-59.47	307.91	5.37	-54.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010790131	0	38	-1.0	-50.10	321.93	3.72	-46.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010790132	0	38	-1.0	-52.64	318.87	4.77	-47.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010790133	0	33	-1.0	-57.10	299.13	3.00	-54.10
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300010790134	0	40	-1.0	-58.13	333.46	3.27	-54.86
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010790135	0	38	-1.0	-54.49	332.68	5.73	-48.76
CC(C)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010790136	0	33	-1.0	-52.25	294.92	2.47	-49.78
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=C1NCCC2	REAL300010790137	0	43	-1.0	-56.34	339.57	4.39	-51.95
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010790138	0	45	-1.0	-53.04	381.67	7.10	-45.94
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010790139	0	38	-1.0	-56.66	334.37	5.77	-50.89
CC(C)[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010790140	0	28	-1.0	-51.07	277.49	3.09	-47.98
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010790141	0	35	-1.0	-53.40	319.15	3.95	-49.45
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790142	0	33	-1.0	-51.62	299.69	3.02	-48.60
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010790143	0	36	-1.0	-61.19	308.74	4.08	-57.11
CC1=CC=C(I)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790144	0	34	-1.0	-55.55	312.45	5.46	-50.09
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790145	0	40	-1.0	-61.44	336.09	5.25	-56.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010790146	0	42	-1.0	-55.22	357.04	7.63	-47.59
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010790147	0	34	-1.0	-44.93	307.51	4.48	-40.45
CC(C)[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010790148	0	30	-1.0	-49.00	283.23	2.27	-46.73
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790149	0	33	-1.0	-60.44	293.18	3.02	-57.42
CC(C)[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010790150	0	34	-1.0	-51.08	296.06	3.02	-48.06
CC(C)[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010790151	0	39	-1.0	-61.16	322.40	-0.87	-62.03
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300010790152	0	33	-1.0	-53.27	299.27	3.08	-50.19
CC(C)[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790153	1	30	-1.0	-51.10	298.04	2.78	-48.32
CC(C)[C@@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010790154	0	35	-1.0	-64.99	316.62	2.74	-62.25
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010790155	0	35	-1.0	-53.38	306.41	4.77	-48.61
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010790156	0	35	-1.0	-52.97	316.72	5.22	-47.75
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010790157	0	40	-1.0	-61.60	352.95	3.12	-58.48
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010790158	0	38	-1.0	-60.72	323.63	5.81	-54.91
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010790159	0	34	-1.0	-42.18	315.69	5.13	-37.05
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010790160	0	35	-1.0	-39.72	321.32	3.41	-36.31
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300010790161	0	38	-1.0	-56.32	314.25	3.40	-52.92
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010790162	0	44	-1.0	-57.29	371.45	5.06	-52.23
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C1	REAL300010790163	0	44	-1.0	-59.01	366.84	5.98	-53.03
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790164	0	37	-1.0	-52.10	333.58	1.60	-50.50
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790165	0	37	-1.0	-54.25	335.84	5.46	-48.79
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790166	0	36	-1.0	-58.57	307.01	3.12	-55.45
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790167	0	37	-1.0	-63.06	323.50	5.10	-57.96
CC(C)[C@@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010790168	0	36	-1.0	-53.79	305.35	3.92	-49.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010790169	0	31	-1.0	-53.34	288.91	4.65	-48.69
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790170	0	37	-1.0	-63.91	310.36	2.94	-60.97
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300010790171	0	42	-1.0	-51.98	367.46	4.51	-47.47
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300010790172	0	39	-1.0	-51.61	327.31	4.72	-46.89
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010790173	1	27	-1.0	-47.72	271.80	1.93	-45.79
CC(C)[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010790174	0	33	-1.0	-51.03	307.27	2.02	-49.01
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010790175	0	33	-1.0	-56.28	300.98	2.97	-53.31
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010790176	0	33	-1.0	-54.84	283.64	2.48	-52.36
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(Cl)S1	REAL300010790177	0	31	-1.0	-52.53	294.33	3.91	-48.62
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010790178	0	33	-1.0	-56.19	295.86	2.44	-53.75
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010790179	0	38	-1.0	-53.39	341.41	4.43	-48.96
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790180	0	44	-1.0	-58.66	358.71	5.58	-53.08
CC(C)[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010790181	1	36	-1.0	-58.51	322.80	2.63	-55.88
CC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010790182	0	34	-1.0	-54.61	312.06	5.85	-48.76
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010790183	0	28	-1.0	-50.90	276.58	3.64	-47.26
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010790184	0	28	-1.0	-54.27	269.61	3.66	-50.61
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790185	0	34	-1.0	-61.13	295.90	4.41	-56.72
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790186	0	37	-1.0	-51.39	331.90	4.60	-46.79
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010790187	0	28	-1.0	-51.46	281.92	3.98	-47.48
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790188	0	34	-1.0	-60.22	310.76	3.75	-56.47
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010790189	0	44	-1.0	-55.75	383.65	0.58	-55.17
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010790190	0	45	-1.0	-54.88	392.00	2.73	-52.15
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010790191	0	39	-1.0	-55.29	350.82	1.01	-54.28
CC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010790192	0	38	-1.0	-56.99	337.43	2.04	-54.95
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010790193	0	30	-1.0	-47.35	295.25	4.19	-43.16
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010790194	0	28	-1.0	-55.78	275.66	4.20	-51.58
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010790195	0	28	-1.0	-49.23	288.07	4.15	-45.08
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010790196	0	28	-1.0	-49.51	296.72	4.82	-44.69
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010790197	0	32	-1.0	-54.73	305.39	2.95	-51.78
CC[C@@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010790198	0	39	-1.0	-58.60	339.71	1.76	-56.84
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010790199	0	28	-1.0	-48.86	288.75	4.03	-44.83
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790200	0	34	-1.0	-48.36	333.09	5.02	-43.34
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790201	0	40	-1.0	-57.17	365.02	4.28	-52.89
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790202	0	40	-1.0	-64.94	350.22	5.04	-59.90
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010790203	0	31	-1.0	-54.00	289.84	4.30	-49.70
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010790204	0	31	-1.0	-50.70	295.01	4.18	-46.52
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010790205	0	39	-1.0	-67.62	340.36	1.30	-66.32
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010790206	0	32	-1.0	-51.07	301.47	2.79	-48.28
CC[C@@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010790207	0	43	-1.0	-54.31	330.28	6.15	-48.16
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010790208	0	37	-1.0	-55.72	318.34	2.93	-52.79
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790209	0	33	-1.0	-59.67	299.70	4.18	-55.49
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010790210	0	25	-1.0	-51.46	269.83	2.73	-48.73
CC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010790211	0	34	-1.0	-51.88	311.82	5.39	-46.49
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010790212	0	32	-1.0	-57.15	305.05	3.50	-53.65
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010790213	0	46	-1.0	-50.61	354.45	6.74	-43.87
CC[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010790214	0	44	-1.0	-53.08	357.15	6.82	-46.26
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010790215	0	31	-1.0	-50.04	294.02	4.01	-46.03
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010790216	0	36	-1.0	-60.46	313.00	2.18	-58.28
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010790217	0	36	-1.0	-53.27	314.22	2.19	-51.08
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010790218	0	38	-1.0	-53.41	352.75	2.57	-50.84
CC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010790219	0	35	-1.0	-57.47	330.55	1.20	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010790220	0	38	-1.0	-70.25	323.73	2.74	-67.51
CC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010790221	0	25	-1.0	-49.37	276.82	3.11	-46.26
CC[C@@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010790222	0	43	-1.0	-53.73	358.95	6.50	-47.23
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010790223	0	38	-1.0	-54.27	329.43	6.42	-47.85
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010790224	0	31	-1.0	-39.53	308.18	4.64	-34.89
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790225	0	28	-1.0	-49.73	292.39	4.71	-45.02
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010790226	0	43	-1.0	-53.54	345.96	5.78	-47.76
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010790227	1	28	-1.0	-39.39	288.80	3.79	-35.60
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010790228	0	31	-1.0	-40.88	298.42	4.10	-36.78
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010790229	0	28	-1.0	-48.69	288.38	3.75	-44.94
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790230	0	31	-1.0	-51.19	310.79	4.50	-46.69
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790231	0	31	-1.0	-51.69	299.60	4.06	-47.63
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010790232	0	31	-1.0	-53.54	279.26	3.87	-49.67
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010790233	0	39	-1.0	-52.47	360.97	6.43	-46.04
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010790234	0	28	-1.0	-49.28	276.00	3.72	-45.56
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010790235	0	34	-1.0	-51.26	311.80	3.56	-47.70
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790236	0	31	-1.0	-48.96	315.65	4.64	-44.32
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010790237	0	28	-1.0	-51.22	282.53	3.65	-47.57
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010790238	0	43	-1.0	-52.79	373.69	5.14	-47.65
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010790239	0	35	-1.0	-55.01	325.15	2.52	-52.49
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010790240	0	44	-1.0	-55.71	362.87	6.20	-49.51
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010790241	0	31	-1.0	-55.60	294.39	4.78	-50.82
CC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010790242	0	31	-1.0	-56.64	310.80	4.68	-51.96
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010790243	0	38	-1.0	-56.16	323.12	4.64	-51.52
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010790244	0	35	-1.0	-52.93	305.86	0.46	-52.47
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010790245	0	36	-1.0	-55.32	317.30	0.36	-54.96
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300010790246	0	46	-1.0	-55.11	392.65	2.99	-52.12
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010790247	0	33	-1.0	-49.99	295.55	4.49	-45.50
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010790248	0	35	-1.0	-58.95	316.67	1.99	-56.96
CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010790249	0	33	-1.0	-50.53	290.12	4.34	-46.19
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790250	0	34	-1.0	-51.59	327.03	4.15	-47.44
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010790251	0	27	-1.0	-53.57	268.89	2.16	-51.41
CC[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010790252	0	37	-1.0	-66.86	340.52	1.19	-65.67
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010790253	0	35	-1.0	-63.40	317.53	2.00	-61.40
CC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010790254	0	42	-1.0	-72.00	346.89	4.58	-67.42
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010790255	0	38	-1.0	-54.70	313.32	3.75	-50.95
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010790256	0	28	-1.0	-52.40	275.76	3.74	-48.66
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010790257	0	39	-1.0	-52.93	338.84	2.51	-50.42
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010790258	0	31	-1.0	-55.92	300.42	4.32	-51.60
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010790259	0	28	-1.0	-50.76	291.66	4.06	-46.70
CC[C@@H](NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010790260	0	42	-1.0	-63.35	365.49	1.91	-61.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790261	0	36	-1.0	-59.28	312.73	5.34	-53.94
CC[C@@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010790262	0	38	-1.0	-53.77	331.81	3.52	-50.25
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010790263	0	44	-1.0	-52.30	367.43	5.31	-46.99
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010790264	0	42	-1.0	-52.43	350.14	5.21	-47.22
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010790265	0	41	-1.0	-52.21	348.23	4.73	-47.48
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790266	0	38	-1.0	-52.45	328.37	4.01	-48.44
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010790267	0	32	-1.0	-54.77	301.01	2.84	-51.93
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010790268	0	32	-1.0	-53.31	310.77	3.11	-50.20
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010790269	0	41	-1.0	-52.80	344.81	4.59	-48.21
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010790270	0	39	-1.0	-54.45	340.25	2.51	-51.94
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790271	0	39	-1.0	-58.94	346.24	2.65	-56.29
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010790272	0	43	-1.0	-56.25	361.38	2.52	-53.73
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010790273	0	31	-1.0	-53.63	290.95	4.31	-49.32
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010790274	0	34	-1.0	-62.48	327.47	1.06	-61.42
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790275	0	34	-1.0	-58.82	312.65	4.91	-53.91
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790276	0	34	-1.0	-51.40	331.60	4.26	-47.14
CC[C@@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010790277	0	32	-1.0	-56.70	291.55	3.45	-53.25
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010790278	0	32	-1.0	-51.10	310.93	4.16	-46.94
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790279	0	45	-1.0	-59.56	393.30	2.19	-57.37
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790280	0	38	-1.0	-57.32	337.55	3.70	-53.62
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010790281	0	37	-1.0	-52.72	326.08	4.20	-48.52
CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010790282	0	37	-1.0	-64.75	323.91	3.08	-61.67
CC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010790283	0	37	-1.0	-56.83	325.84	4.19	-52.64
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010790284	0	41	-1.0	-58.35	357.60	5.87	-52.48
CC[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010790285	0	36	-1.0	-68.77	321.93	2.39	-66.38
CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010790286	0	35	-1.0	-59.17	321.29	4.28	-54.89
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790287	0	34	-1.0	-48.89	322.00	3.82	-45.07
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010790288	0	32	-1.0	-44.33	313.37	3.44	-40.89
CC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010790289	0	38	-1.0	-55.35	345.78	5.06	-50.29
CC[C@@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010790290	0	28	-1.0	-52.50	283.33	3.51	-48.99
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010790291	0	29	-1.0	-52.16	291.69	3.78	-48.38
CC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010790292	0	36	-1.0	-57.44	303.10	5.83	-51.61
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010790293	0	34	-1.0	-58.55	321.49	4.19	-54.36
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010790294	0	37	-1.0	-65.66	328.25	1.34	-64.32
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010790295	0	29	-1.0	-53.35	291.72	3.79	-49.56
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010790296	0	44	-1.0	-53.32	367.48	4.78	-48.54
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010790297	0	39	-1.0	-67.19	343.30	2.99	-64.20
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010790298	0	40	-1.0	-55.21	364.30	0.86	-54.35
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010790299	0	34	-1.0	-52.25	314.38	2.52	-49.73
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790300	1	30	-1.0	-63.03	280.54	4.71	-58.32
CC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010790301	0	31	-1.0	-54.98	312.35	4.72	-50.26
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(C)N1	REAL300010790302	0	41	-1.0	-57.82	349.36	3.61	-54.21
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010790303	0	28	-1.0	-58.47	273.50	3.91	-54.56
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010790304	0	34	-1.0	-54.07	335.67	3.57	-50.50
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010790305	0	48	-1.0	-52.29	390.09	6.62	-45.67
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010790306	0	38	-1.0	-57.31	352.76	2.56	-54.75
CC[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010790307	0	28	-1.0	-50.81	283.07	4.11	-46.70
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010790308	0	37	-1.0	-62.57	322.35	4.47	-58.10
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790309	0	30	-1.0	-52.78	286.59	5.03	-47.75
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010790310	0	36	-1.0	-46.25	320.51	2.33	-43.92
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010790311	0	39	-1.0	-56.37	326.31	3.04	-53.33
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790312	1	30	-1.0	-51.54	304.72	5.69	-45.85
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010790313	0	31	-1.0	-58.30	293.27	3.86	-54.44
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010790314	0	29	-1.0	-51.73	288.70	3.70	-48.03
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1Br)C(=O)[O-]	REAL300010790315	0	34	-1.0	-50.66	324.38	4.31	-46.35
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010790316	0	31	-1.0	-51.06	294.76	4.21	-46.85
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010790317	0	32	-1.0	-53.03	305.06	0.49	-52.54
CC[C@@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010790318	0	34	-1.0	-63.02	315.46	1.80	-61.22
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010790319	0	34	-1.0	-52.59	308.89	5.73	-46.86
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010790320	0	33	-1.0	-51.23	301.34	4.46	-46.77
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790321	0	37	-1.0	-50.97	353.46	5.17	-45.80
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010790322	0	28	-1.0	-51.09	289.19	3.36	-47.73
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790323	0	33	-1.0	-47.19	317.36	4.70	-42.49
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790324	0	34	-1.0	-49.35	320.89	3.75	-45.60
CC[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010790325	0	46	-1.0	-52.72	331.56	4.25	-48.47
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010790326	0	36	-1.0	-53.22	317.77	4.31	-48.91
CC[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010790327	0	39	-1.0	-54.47	333.25	1.56	-52.91
CC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010790328	0	31	-1.0	-54.14	287.39	4.23	-49.91
CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010790329	0	34	-1.0	-56.12	307.84	4.24	-51.88
CC[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010790330	0	36	-1.0	-51.54	314.06	0.77	-50.77
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010790331	0	34	-1.0	-49.93	310.76	3.76	-46.17
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010790332	0	34	-1.0	-55.56	306.39	4.85	-50.71
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790333	0	34	-1.0	-52.22	326.33	4.14	-48.08
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C2=CC=CC=C12	REAL300010790334	0	41	-1.0	-55.79	344.79	5.54	-50.25
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790335	0	38	-1.0	-46.41	325.53	4.46	-41.95
CC[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010790336	0	33	-1.0	-69.36	303.62	3.17	-66.19
CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010790337	0	35	-1.0	-52.43	316.59	4.14	-48.29
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010790338	0	42	-1.0	-61.29	373.93	5.05	-56.24
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790339	0	30	-1.0	-47.85	299.92	4.13	-43.72
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790340	0	42	-1.0	-54.43	362.11	3.47	-50.96
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790341	0	44	-1.0	-52.37	371.36	5.57	-46.80
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790342	0	30	-1.0	-59.93	287.70	5.15	-54.78
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790343	0	34	-1.0	-53.45	314.60	3.69	-49.76
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790344	0	34	-1.0	-49.74	334.25	4.55	-45.19
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010790345	0	38	-1.0	-63.90	338.20	3.55	-60.35
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010790346	0	31	-1.0	-52.53	304.22	2.68	-49.85
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010790347	0	40	-1.0	-61.12	338.59	4.86	-56.26
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790348	0	37	-1.0	-51.78	326.10	4.19	-47.59
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010790349	0	34	-1.0	-59.61	316.19	3.73	-55.88
CC[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010790350	0	27	-1.0	-48.95	271.66	1.81	-47.14
CC[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010790351	0	32	-1.0	-51.93	311.86	4.45	-47.48
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010790352	0	42	-1.0	-54.43	366.30	0.94	-53.49
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010790353	0	28	-1.0	-50.80	282.29	3.67	-47.13
CC[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010790354	0	35	-1.0	-65.13	319.95	0.87	-64.26
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010790355	0	31	-1.0	-51.48	284.76	4.18	-47.30
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010790356	0	32	-1.0	-50.36	305.15	2.98	-47.38
CC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010790357	0	39	-1.0	-53.54	332.98	4.26	-49.28
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010790358	0	36	-1.0	-56.12	334.18	-0.21	-56.33
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1OC	REAL300010790359	0	45	-1.0	-60.35	386.38	2.16	-58.19
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010790360	0	32	-1.0	-55.75	299.06	2.95	-52.80
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010790361	0	37	-1.0	-62.61	337.43	1.43	-61.18
CC[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010790362	0	30	-1.0	-49.83	303.54	2.92	-46.91
CC[C@@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010790363	0	33	-1.0	-63.98	307.43	3.91	-60.07
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010790364	0	29	-1.0	-49.98	297.64	3.98	-46.00
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1Br	REAL300010790365	0	35	-1.0	-54.48	327.26	3.88	-50.60
CC[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010790366	0	33	-1.0	-53.71	306.21	-1.53	-55.24
CC[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010790367	0	42	-1.0	-52.96	368.56	4.94	-48.02
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010790368	0	33	-1.0	-52.80	308.76	3.00	-49.80
CC[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010790369	0	36	-1.0	-62.13	318.77	4.25	-57.88
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1)C(=O)[O-]	REAL300010790370	0	44	-1.0	-63.70	391.73	1.68	-62.02
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010790371	0	38	-1.0	-54.38	335.76	3.91	-50.47
CC[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010790372	0	33	-1.0	-54.93	303.77	3.18	-51.75
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(C)=C1	REAL300010790373	0	38	-1.0	-53.64	318.71	4.07	-49.57
CC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010790374	0	37	-1.0	-56.84	321.39	4.57	-52.27
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010790375	0	32	-1.0	-56.10	293.56	3.14	-52.96
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790376	0	40	-1.0	-51.13	353.40	5.39	-45.74
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300010790377	0	46	-1.0	-55.45	392.41	3.00	-52.45
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010790378	0	34	-1.0	-53.89	313.65	2.82	-51.07
CC[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790379	0	34	-1.0	-59.14	317.86	4.69	-54.45
CC[C@@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010790380	0	39	-1.0	-56.11	326.80	4.88	-51.23
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010790381	0	27	-1.0	-47.84	278.94	2.09	-45.75
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010790382	0	34	-1.0	-48.07	299.39	2.75	-45.32
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010790383	0	31	-1.0	-55.14	288.83	4.43	-50.71
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010790384	0	36	-1.0	-54.57	315.05	2.20	-52.37
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010790385	0	44	-1.0	-56.97	370.65	3.92	-53.05
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300010790386	0	36	-1.0	-52.71	328.21	2.86	-49.85
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1OCC	REAL300010790387	0	42	-1.0	-54.62	357.93	4.03	-50.59
CC[C@@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010790388	0	34	-1.0	-53.65	303.68	2.05	-51.60
CC[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010790389	0	33	-1.0	-56.82	309.43	-2.03	-58.85
CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010790390	0	39	-1.0	-63.23	333.30	4.12	-59.11
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010790391	0	42	-1.0	-64.28	347.10	4.56	-59.72
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010790392	0	36	-1.0	-57.86	312.72	4.89	-52.97
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010790393	0	34	-1.0	-51.72	310.04	3.67	-48.05
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010790394	0	39	-1.0	-58.78	335.89	4.14	-54.64
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010790395	0	35	-1.0	-54.32	311.71	1.29	-53.03
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010790396	0	42	-1.0	-55.02	350.16	4.55	-50.47
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010790397	0	31	-1.0	-58.74	291.85	3.30	-55.44
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010790398	0	31	-1.0	-51.43	303.60	2.79	-48.64
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790399	0	32	-1.0	-48.80	312.11	4.17	-44.63
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790400	0	34	-1.0	-65.31	307.26	1.67	-63.64
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010790401	0	34	-1.0	-57.86	311.80	0.00	-57.86
CC[C@@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010790402	0	34	-1.0	-55.66	306.22	0.22	-55.44
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010790403	0	34	-1.0	-53.62	317.51	0.76	-52.86
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010790404	0	36	-1.0	-61.04	316.52	4.44	-56.60
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790405	0	34	-1.0	-55.88	299.33	3.81	-52.07
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010790406	0	32	-1.0	-53.56	300.32	3.43	-50.13
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010790407	0	32	-1.0	-53.96	300.23	3.35	-50.61
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010790408	0	33	-1.0	-61.74	309.75	-2.06	-63.80
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790409	0	34	-1.0	-54.84	310.04	3.66	-51.18
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010790410	0	40	-1.0	-56.50	364.51	0.85	-55.65
CC[C@@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010790411	0	33	-1.0	-57.59	307.35	4.36	-53.23
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010790412	0	34	-1.0	-61.42	310.76	-0.61	-62.03
CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010790413	0	34	-1.0	-59.36	316.23	0.51	-58.85
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010790414	0	35	-1.0	-50.65	321.13	2.25	-48.40
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010790415	0	36	-1.0	-55.03	309.91	4.21	-50.82
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010790416	0	34	-1.0	-52.84	309.63	2.95	-49.89
CC[C@@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010790417	0	33	-1.0	-52.61	303.15	4.48	-48.13
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790418	0	36	-1.0	-58.22	308.36	5.68	-52.54
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])C1	REAL300010790419	0	42	-1.0	-54.25	338.77	3.32	-50.93
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1OC)C(=O)[O-]	REAL300010790420	0	32	-1.0	-49.24	318.30	4.15	-45.09
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010790421	0	32	-1.0	-49.55	301.25	2.80	-46.75
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010790422	0	39	-1.0	-60.06	350.01	1.05	-59.01
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790423	0	30	-1.0	-55.67	286.53	5.02	-50.65
CC[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010790424	0	40	-1.0	-66.40	342.02	2.36	-64.04
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010790425	0	38	-1.0	-56.95	320.95	6.83	-50.12
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790426	0	37	-1.0	-54.51	332.15	4.57	-49.94
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010790427	0	28	-1.0	-50.61	276.82	3.61	-47.00
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010790428	0	35	-1.0	-58.25	311.62	1.90	-56.35
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010790429	0	33	-1.0	-59.33	295.55	4.50	-54.83
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790430	0	35	-1.0	-44.33	327.71	4.40	-39.93
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010790431	0	34	-1.0	-53.78	300.01	2.15	-51.63
CC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010790432	0	43	-1.0	-56.42	343.53	6.15	-50.27
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010790433	0	28	-1.0	-51.00	287.44	3.96	-47.04
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010790434	0	28	-1.0	-52.28	283.49	4.06	-48.22
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790435	0	31	-1.0	-50.76	293.98	4.01	-46.75
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790436	0	31	-1.0	-59.82	273.12	3.79	-56.03
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790437	0	31	-1.0	-51.41	307.18	4.42	-46.99
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010790438	0	31	-1.0	-39.10	304.91	4.56	-34.54
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010790439	0	37	-1.0	-55.74	331.91	2.06	-53.68
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010790440	0	27	-1.0	-46.76	282.66	2.08	-44.68
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010790441	0	32	-1.0	-56.07	296.51	2.81	-53.26
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010790442	0	37	-1.0	-60.57	339.21	5.69	-54.88
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010790443	0	36	-1.0	-57.60	329.38	2.84	-54.76
CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010790444	0	37	-1.0	-59.57	332.46	4.43	-55.14
CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010790445	0	38	-1.0	-52.11	338.00	4.82	-47.29
CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010790446	0	39	-1.0	-74.01	334.10	4.04	-69.97
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010790447	0	29	-1.0	-54.55	287.24	3.58	-50.97
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010790448	0	42	-1.0	-57.57	357.53	2.78	-54.79
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010790449	0	36	-1.0	-53.97	329.32	4.11	-49.86
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010790450	0	33	-1.0	-49.11	299.74	4.18	-44.93
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010790451	0	42	-1.0	-47.26	370.16	5.63	-41.63
CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010790452	0	39	-1.0	-58.72	344.07	3.76	-54.96
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)C=C1F)C(=O)[O-]	REAL300010790453	0	34	-1.0	-41.65	332.90	4.27	-37.38
CC[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010790454	0	30	-1.0	-51.88	287.33	2.49	-49.39
CC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010790455	0	38	-1.0	-57.96	333.72	3.64	-54.32
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010790456	0	38	-1.0	-62.23	329.88	2.82	-59.41
CC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010790457	0	40	-1.0	-55.98	329.51	3.56	-52.42
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010790458	0	34	-1.0	-54.58	306.83	2.03	-52.55
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010790459	0	37	-1.0	-54.49	329.27	4.67	-49.82
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010790460	0	36	-1.0	-55.81	314.26	1.62	-54.19
CC[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010790461	0	36	-1.0	-46.18	306.46	5.08	-41.10
CC[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790462	0	34	-1.0	-55.86	312.32	2.48	-53.38
CC[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010790463	0	30	-1.0	-54.62	285.03	1.80	-52.82
CC[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010790464	0	36	-1.0	-60.52	315.07	1.44	-59.08
CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790465	0	35	-1.0	-54.56	317.20	3.13	-51.43
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010790466	0	39	-1.0	-52.36	337.96	4.82	-47.54
CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010790467	0	31	-1.0	-57.16	301.48	4.27	-52.89
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(Br)=C1	REAL300010790468	0	37	-1.0	-50.25	346.23	5.24	-45.01
CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010790469	0	36	-1.0	-55.02	320.16	0.66	-54.36
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010790470	0	38	-1.0	-50.20	307.75	3.71	-46.49
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010790471	0	34	-1.0	-53.33	320.15	0.89	-52.44
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010790472	0	36	-1.0	-44.37	329.23	2.82	-41.55
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010790473	0	39	-1.0	-54.91	331.00	3.12	-51.79
CC[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790474	0	37	-1.0	-64.33	333.70	4.36	-59.97
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])O1	REAL300010790475	0	34	-1.0	-53.58	317.89	2.79	-50.79
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010790476	0	39	-1.0	-54.49	339.50	7.13	-47.36
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010790477	0	38	-1.0	-56.69	341.37	3.91	-52.78
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010790478	0	41	-1.0	-57.12	362.33	4.06	-53.06
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010790479	0	38	-1.0	-55.16	316.98	3.86	-51.30
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790480	0	31	-1.0	-56.49	289.18	4.99	-51.50
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790481	0	30	-1.0	-52.41	291.18	5.13	-47.28
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790482	0	33	-1.0	-58.56	289.15	5.26	-53.30
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010790483	0	30	-1.0	-47.13	297.84	4.33	-42.80
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010790484	0	25	-1.0	-54.34	255.80	1.99	-52.35
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010790485	0	36	-1.0	-55.14	300.83	4.19	-50.95
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010790486	0	36	-1.0	-54.19	321.20	2.26	-51.93
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010790487	0	27	-1.0	-40.60	285.90	2.39	-38.21
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010790488	0	30	-1.0	-46.92	299.88	4.12	-42.80
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790489	0	37	-1.0	-60.83	334.27	1.60	-59.23
CC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790490	0	33	-1.0	-53.95	304.00	3.84	-50.11
CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790491	0	30	-1.0	-56.40	283.55	4.07	-52.33
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790492	0	30	-1.0	-51.60	290.14	3.74	-47.86
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010790493	0	35	-1.0	-53.34	326.20	3.70	-49.64
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790494	0	30	-1.0	-55.50	291.10	5.12	-50.38
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010790495	0	42	-1.0	-53.56	366.51	6.30	-47.26
CC[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010790496	0	43	-1.0	-63.82	332.25	5.42	-58.40
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010790497	0	36	-1.0	-58.96	338.35	-0.29	-59.25
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])CC1	REAL300010790498	0	41	-1.0	-52.64	332.00	1.48	-51.16
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010790499	0	37	-1.0	-55.53	335.76	4.30	-51.23
CC[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010790500	0	38	-1.0	-56.92	342.31	4.57	-52.35
CC[C@@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010790501	0	50	-1.0	-53.62	385.09	5.67	-47.95
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010790502	0	34	-1.0	-58.29	324.05	4.32	-53.97
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010790503	0	36	-1.0	-60.93	329.08	-0.29	-61.22
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010790504	0	35	-1.0	-57.44	323.18	4.05	-53.39
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010790505	0	40	-1.0	-54.43	345.89	4.54	-49.89
CC[C@@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010790506	0	38	-1.0	-52.38	338.85	4.87	-47.51
CC[C@@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010790507	0	35	-1.0	-56.93	321.30	1.51	-55.42
CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010790508	0	35	-1.0	-60.58	319.22	-2.27	-62.85
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010790509	0	33	-1.0	-54.90	310.36	4.70	-50.20
CC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010790510	0	34	-1.0	-52.38	309.89	4.13	-48.25
CC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010790511	0	25	-1.0	-49.23	281.46	3.21	-46.02
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010790512	0	40	-1.0	-56.14	350.19	5.04	-51.10
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010790513	0	28	-1.0	-52.83	282.47	3.72	-49.11
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790514	0	34	-1.0	-50.63	309.71	4.53	-46.10
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010790515	0	34	-1.0	-58.18	329.55	3.76	-54.42
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010790516	0	36	-1.0	-53.05	321.61	2.71	-50.34
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010790517	0	31	-1.0	-58.15	305.50	4.37	-53.78
CC[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010790518	0	37	-1.0	-55.83	336.79	5.86	-49.97
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010790519	0	30	-1.0	-55.01	297.84	4.33	-50.68
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790520	0	34	-1.0	-58.96	302.07	4.46	-54.50
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN=C2S1	REAL300010790521	0	42	-1.0	-50.71	379.72	4.60	-46.11
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010790522	0	28	-1.0	-52.15	288.07	4.16	-47.99
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010790523	0	36	-1.0	-57.68	333.72	2.88	-54.80
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010790524	0	36	-1.0	-49.36	324.97	0.40	-48.96
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790525	0	37	-1.0	-58.19	346.18	5.24	-52.95
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1Br)C(=O)[O-]	REAL300010790526	0	34	-1.0	-50.04	328.85	4.33	-45.71
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1F	REAL300010790527	0	37	-1.0	-53.77	336.66	4.60	-49.17
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010790528	0	36	-1.0	-56.25	314.34	3.67	-52.58
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010790529	0	31	-1.0	-52.55	311.70	4.96	-47.59
CC[C@@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010790530	0	34	-1.0	-57.33	323.86	5.92	-51.41
CC[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010790531	0	31	-1.0	-52.34	308.12	4.85	-47.49
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010790532	0	34	-1.0	-59.05	301.72	5.81	-53.24
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010790533	0	34	-1.0	-57.44	311.33	5.76	-51.68
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Br)C(=O)[O-]	REAL300010790534	0	32	-1.0	-51.80	314.88	3.52	-48.28
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2O1	REAL300010790535	0	42	-1.0	-55.17	368.77	5.26	-49.91
CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010790536	0	34	-1.0	-57.39	320.58	0.53	-56.86
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010790537	0	41	-1.0	-60.05	362.89	4.56	-55.49
CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010790538	0	39	-1.0	-60.47	355.37	0.05	-60.42
CC[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010790539	1	29	-1.0	-53.92	283.12	3.64	-50.28
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010790540	0	39	-1.0	-52.96	330.40	3.65	-49.31
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010790541	0	33	-1.0	-55.24	307.25	4.69	-50.55
CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010790542	0	31	-1.0	-56.71	296.56	3.60	-53.11
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010790543	0	34	-1.0	-55.21	312.65	4.93	-50.28
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790544	0	40	-1.0	-51.88	332.75	3.49	-48.39
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010790545	0	34	-1.0	-63.13	315.97	0.53	-62.60
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010790546	0	44	-1.0	-58.81	374.92	0.67	-58.14
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010790547	0	36	-1.0	-52.39	317.60	4.35	-48.04
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010790548	0	43	-1.0	-61.66	377.23	2.15	-59.51
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790549	0	38	-1.0	-57.88	331.93	2.72	-55.16
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790550	0	37	-1.0	-60.23	323.69	4.81	-55.42
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790551	0	47	-1.0	-64.72	380.22	6.45	-58.27
CC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010790552	0	31	-1.0	-56.63	306.17	4.60	-52.03
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010790553	0	35	-1.0	-50.67	328.65	2.59	-48.08
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010790554	0	32	-1.0	-40.49	311.63	3.41	-37.08
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010790555	0	40	-1.0	-59.91	340.49	1.89	-58.02
CC[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790556	0	31	-1.0	-59.15	303.08	2.67	-56.48
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790557	0	37	-1.0	-58.77	334.58	5.40	-53.37
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010790558	0	39	-1.0	-53.09	360.91	6.35	-46.74
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010790559	0	37	-1.0	-54.24	315.93	4.20	-50.04
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790560	0	30	-1.0	-51.00	304.80	4.31	-46.69
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010790561	0	32	-1.0	-48.94	310.74	3.74	-45.20
CC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010790562	0	40	-1.0	-54.93	332.45	3.52	-51.41
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010790563	0	42	-1.0	-52.44	365.61	6.52	-45.92
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010790564	0	31	-1.0	-52.16	286.99	0.51	-51.65
CC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010790565	0	28	-1.0	-50.47	283.31	4.10	-46.37
CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010790566	0	39	-1.0	-54.34	316.99	2.43	-51.91
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010790567	0	38	-1.0	-52.86	329.08	3.87	-48.99
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010790568	0	28	-1.0	-55.59	285.86	3.04	-52.55
CC[C@@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010790569	0	41	-1.0	-62.34	376.61	5.17	-57.17
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(NC(=O)C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300010790570	0	45	-1.0	-68.48	392.20	2.73	-65.75
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010790571	0	34	-1.0	-53.18	321.91	3.70	-49.48
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010790572	0	34	-1.0	-57.47	339.64	4.24	-53.23
CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010790573	0	28	-1.0	-54.07	277.45	2.81	-51.26
CC[C@@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010790574	1	27	-1.0	-48.16	284.38	1.24	-46.92
CC[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010790575	0	32	-1.0	-52.77	308.22	1.85	-50.92
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790576	0	33	-1.0	-66.53	299.56	4.89	-61.64
CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790577	0	36	-1.0	-67.25	320.17	4.87	-62.38
CC[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010790578	0	36	-1.0	-58.06	328.60	5.17	-52.89
CC[C@@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010790579	0	33	-1.0	-49.32	312.71	2.81	-46.51
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010790580	0	46	-1.0	-52.29	392.51	3.83	-48.46
CC[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010790582	0	39	-1.0	-55.19	340.12	4.89	-50.30
CC[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010790583	0	32	-1.0	-59.85	305.30	4.11	-55.74
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790584	0	33	-1.0	-47.38	308.57	4.31	-43.07
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010790585	0	34	-1.0	-55.18	302.32	4.49	-50.69
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(OC)=C1	REAL300010790586	0	46	-1.0	-63.53	403.79	1.23	-62.30
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010790587	0	43	-1.0	-63.68	382.29	0.42	-63.26
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010790588	1	43	-1.0	-66.23	373.35	0.10	-66.13
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1F	REAL300010790589	0	42	-1.0	-54.76	377.15	1.46	-53.30
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010790590	0	42	-1.0	-53.50	361.39	4.20	-49.30
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010790591	0	31	-1.0	-71.97	294.02	2.90	-69.07
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010790592	0	31	-1.0	-53.82	290.81	4.33	-49.49
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010790593	0	39	-1.0	-55.03	355.65	0.68	-54.35
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010790594	0	27	-1.0	-54.23	271.05	2.32	-51.91
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010790595	0	39	-1.0	-52.65	340.62	3.95	-48.70
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010790596	0	38	-1.0	-53.87	350.98	7.03	-46.84
CC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790597	0	31	-1.0	-55.24	312.32	4.79	-50.45
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010790598	0	36	-1.0	-70.52	339.06	1.38	-69.14
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010790599	0	28	-1.0	-49.36	285.43	4.43	-44.93
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790600	0	27	-1.0	-38.65	281.73	2.26	-36.39
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010790601	0	33	-1.0	-50.00	306.28	1.82	-48.18
CC[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010790602	0	31	-1.0	-49.41	322.00	0.16	-49.25
CC[C@@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010790603	0	47	-1.0	-61.91	410.84	4.02	-57.89
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010790604	0	38	-1.0	-52.52	324.54	3.86	-48.66
CC[C@@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010790605	0	42	-1.0	-60.61	391.31	0.67	-59.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010790606	0	37	-1.0	-63.83	342.86	2.86	-60.97
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(NC(C)=O)C=C1C)C(=O)[O-]	REAL300010790607	0	38	-1.0	-55.98	342.41	3.49	-52.49
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010790608	0	33	-1.0	-49.76	312.25	4.01	-45.75
CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010790609	0	39	-1.0	-53.96	360.97	1.97	-51.99
CC[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010790610	0	41	-1.0	-54.64	353.60	5.64	-49.00
CC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010790611	0	32	-1.0	-62.70	314.00	4.47	-58.23
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010790612	0	36	-1.0	-66.91	307.37	4.91	-62.00
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010790613	0	34	-1.0	-60.36	299.78	4.49	-55.87
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010790614	0	41	-1.0	-65.66	346.83	4.29	-61.37
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010790615	0	34	-1.0	-50.72	324.18	1.06	-49.66
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790616	0	37	-1.0	-51.16	338.33	4.66	-46.50
CCC1=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010790617	0	37	-1.0	-55.21	332.43	3.26	-51.95
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790618	0	41	-1.0	-53.94	365.98	4.69	-49.25
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010790619	0	29	-1.0	-50.39	287.45	3.92	-46.47
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010790620	0	32	-1.0	-40.95	309.29	3.55	-37.40
CC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010790621	0	48	-1.0	-45.92	371.94	4.68	-41.24
CC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010790622	0	45	-1.0	-56.20	383.11	5.29	-50.91
CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010790623	0	42	-1.0	-55.76	346.80	3.07	-52.69
CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010790624	0	39	-1.0	-60.75	353.78	3.85	-56.90
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010790625	0	30	-1.0	-50.62	290.02	2.22	-48.40
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010790626	1	30	-1.0	-53.60	296.25	0.80	-52.80
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790627	0	34	-1.0	-51.85	316.71	3.71	-48.14
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010790629	0	35	-1.0	-51.75	301.53	2.99	-48.76
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010790630	0	35	-1.0	-55.89	319.64	3.56	-52.33
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010790631	0	43	-1.0	-54.63	351.42	4.38	-50.25
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010790632	0	36	-1.0	-52.40	324.37	5.06	-47.34
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010790633	0	35	-1.0	-58.25	311.62	1.90	-56.35
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010790634	0	36	-1.0	-49.59	311.77	5.00	-44.59
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010790635	0	33	-1.0	-46.49	313.91	3.51	-42.98
CC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010790636	0	28	-1.0	-50.47	283.31	4.10	-46.37
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010790637	0	25	-1.0	-52.88	261.10	1.78	-51.10
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010790638	0	32	-1.0	-52.16	306.05	2.93	-49.23
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1C	REAL300010790639	0	38	-1.0	-61.15	339.09	4.06	-57.09
CC[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010790640	0	41	-1.0	-65.04	366.72	4.09	-60.95
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C12	REAL300010790641	0	35	-1.0	-48.43	316.75	0.70	-47.73
CC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010790642	0	40	-1.0	-55.14	339.58	4.44	-50.70
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010790643	0	35	-1.0	-53.68	319.86	4.36	-49.32
CC[C@@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010790644	0	32	-1.0	-54.33	310.69	4.45	-49.88
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010790645	0	30	-1.0	-49.15	294.17	3.37	-45.78
CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010790646	0	38	-1.0	-65.67	337.78	-0.42	-66.09
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010790647	0	31	-1.0	-47.19	296.19	0.98	-46.21
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010790648	0	37	-1.0	-58.96	331.41	3.96	-55.00
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010790649	0	43	-1.0	-56.95	369.00	3.45	-53.50
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010790651	0	31	-1.0	-51.35	288.61	4.44	-46.91
CC[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010790652	0	32	-1.0	-59.34	293.79	3.07	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010790653	0	34	-1.0	-52.91	329.90	4.33	-48.58
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790654	0	28	-1.0	-48.06	302.74	4.60	-43.46
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010790655	0	28	-1.0	-49.84	282.47	3.72	-46.12
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010790656	0	36	-1.0	-62.62	307.76	3.55	-59.07
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1C	REAL300010790657	0	55	-1.0	-54.28	440.58	7.51	-46.77
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010790658	0	37	-1.0	-55.03	317.14	4.44	-50.59
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010790659	0	42	-1.0	-45.91	378.32	4.17	-41.74
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010790660	0	29	-1.0	-54.79	287.52	3.92	-50.87
CC[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010790661	0	31	-1.0	-58.40	300.26	2.06	-56.34
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010790662	0	43	-1.0	-64.89	347.53	3.76	-61.13
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010790663	0	34	-1.0	-52.56	322.41	5.89	-46.67
CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010790664	1	31	-1.0	-51.49	311.65	2.75	-48.74
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010790665	0	36	-1.0	-55.34	322.70	1.21	-54.13
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010791001	0	41	-1.0	-47.96	358.80	4.46	-43.50
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010791002	0	38	-1.0	-58.48	325.61	3.70	-54.78
CC[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010791003	0	39	-1.0	-58.04	324.88	1.14	-56.90
CC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010791004	0	34	-1.0	-52.86	322.96	3.95	-48.91
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010791005	0	34	-1.0	-53.37	306.21	0.23	-53.14
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010791006	1	25	-1.0	-53.43	257.39	1.77	-51.66
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010791007	0	32	-1.0	-48.56	301.16	2.56	-46.00
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010791008	0	32	-1.0	-42.30	295.38	2.48	-39.82
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010791009	0	53	-1.0	-53.53	429.69	7.62	-45.91
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010791010	0	44	-1.0	-57.78	347.88	4.51	-53.27
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010791011	0	38	-1.0	-43.61	328.13	4.46	-39.15
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010791012	0	51	-1.0	-56.15	420.92	5.47	-50.68
CC[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010791013	0	36	-1.0	-51.25	324.82	2.70	-48.55
CC[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010791014	0	36	-1.0	-55.80	323.54	5.22	-50.58
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010791015	0	32	-1.0	-55.28	290.26	3.63	-51.65
CC[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010791016	0	31	-1.0	-53.90	297.16	4.28	-49.62
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010791017	0	31	-1.0	-53.93	299.75	4.99	-48.94
CC[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010791018	0	33	-1.0	-50.96	306.56	1.83	-49.13
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1Br)C(=O)[O-]	REAL300010791019	0	34	-1.0	-54.67	319.38	4.17	-50.50
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010791020	0	45	-1.0	-71.67	363.38	4.98	-66.69
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010791021	0	34	-1.0	-57.57	305.40	3.53	-54.04
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010791022	0	42	-1.0	-64.34	354.92	4.60	-59.74
CC[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010791023	0	28	-1.0	-47.87	278.24	1.15	-46.72
CC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791024	0	30	-1.0	-48.58	289.44	2.14	-46.44
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010791025	0	32	-1.0	-53.05	310.38	3.57	-49.48
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010791026	0	31	-1.0	-65.13	301.63	2.75	-62.38
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010791027	0	37	-1.0	-50.08	307.05	5.20	-44.88
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010791028	0	36	-1.0	-54.75	312.44	2.90	-51.85
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010791029	0	37	-1.0	-63.69	323.59	0.22	-63.47
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010791030	0	29	-1.0	-52.98	296.01	3.87	-49.11
CC[C@@H](NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791031	0	44	-1.0	-58.29	399.61	3.98	-54.31
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010791032	0	36	-1.0	-58.90	313.57	3.28	-55.62
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010791033	1	31	-1.0	-51.10	315.36	2.42	-48.68
CC[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010791034	0	25	-1.0	-51.41	276.39	3.22	-48.19
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010791035	0	41	-1.0	-53.59	338.78	3.73	-49.86
CC[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010791036	0	32	-1.0	-54.99	304.41	4.86	-50.13
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010791038	0	32	-1.0	-55.75	294.76	2.57	-53.18
CC[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010791039	0	32	-1.0	-55.25	310.87	3.58	-51.67
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010791040	0	31	-1.0	-58.59	283.29	2.19	-56.40
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010791042	0	34	-1.0	-55.25	306.33	4.83	-50.42
CC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010791043	0	34	-1.0	-50.07	324.60	4.16	-45.91
CC[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010791044	0	31	-1.0	-53.22	288.51	3.36	-49.86
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010791045	0	38	-1.0	-53.54	325.72	3.30	-50.24
CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010791046	0	46	-1.0	-58.49	356.89	6.33	-52.16
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010791047	0	34	-1.0	-50.57	326.49	4.89	-45.68
CC[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010791048	0	38	-1.0	-51.61	329.95	3.66	-47.95
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010791049	0	39	-1.0	-57.36	353.96	5.90	-51.46
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010791050	0	41	-1.0	-60.34	345.08	1.42	-58.92
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010791051	0	37	-1.0	-71.91	319.13	4.38	-67.53
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010791052	0	34	-1.0	-47.09	308.35	1.22	-45.87
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791053	0	32	-1.0	-47.86	311.73	4.35	-43.51
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010791054	0	40	-1.0	-55.81	356.14	5.90	-49.91
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010791055	0	37	-1.0	-53.51	344.31	5.61	-47.90
CC[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010791056	0	33	-1.0	-47.35	306.27	2.83	-44.52
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791057	0	31	-1.0	-49.11	300.76	4.09	-45.02
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010791058	0	28	-1.0	-52.19	272.18	3.37	-48.82
CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791059	0	28	-1.0	-48.36	287.50	3.11	-45.25
CC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010791060	0	38	-1.0	-56.99	337.43	2.04	-54.95
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010791061	0	25	-1.0	-52.88	261.10	1.78	-51.10
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010791062	0	31	-1.0	-47.22	307.18	4.43	-42.79
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010791063	0	39	-1.0	-58.74	340.10	5.02	-53.72
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010791064	0	39	-1.0	-55.64	324.56	6.12	-49.52
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010791065	0	38	-1.0	-64.23	335.72	4.67	-59.56
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010791066	0	34	-1.0	-51.92	318.83	4.06	-47.86
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010791067	0	33	-1.0	-42.46	312.86	3.57	-38.89
CC[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010791068	0	35	-1.0	-62.63	308.43	1.34	-61.29
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300010791069	0	38	-1.0	-51.07	351.45	3.78	-47.29
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010791070	0	28	-1.0	-52.15	288.07	4.16	-47.99
CC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010791071	0	28	-1.0	-52.28	269.27	3.19	-49.09
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791072	0	31	-1.0	-55.23	279.51	3.85	-51.38
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010791073	0	34	-1.0	-51.07	321.16	3.33	-47.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010791074	0	35	-1.0	-45.15	308.89	5.21	-39.94
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010791075	0	30	-1.0	-49.41	310.20	3.26	-46.15
CC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010791076	0	38	-1.0	-49.65	316.78	3.46	-46.19
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010791077	0	37	-1.0	-58.75	326.73	0.51	-58.24
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010791078	0	31	-1.0	-58.94	310.17	-0.49	-59.43
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010791079	0	37	-1.0	-58.75	326.73	0.51	-58.24
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791080	0	31	-1.0	-59.82	273.12	3.79	-56.03
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010791081	0	40	-1.0	-62.18	340.65	6.64	-55.54
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010791082	0	28	-1.0	-52.71	280.34	2.29	-50.42
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010791083	0	32	-1.0	-41.62	297.23	3.00	-38.62
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010791084	0	42	-1.0	-51.22	342.18	1.65	-49.57
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010791085	0	34	-1.0	-52.42	308.74	4.52	-47.90
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010791086	0	32	-1.0	-53.52	294.76	2.57	-50.95
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010791087	0	35	-1.0	-50.78	344.61	2.93	-47.85
CC[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010791088	0	43	-1.0	-54.08	350.68	5.65	-48.43
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010791089	0	39	-1.0	-61.67	322.33	5.08	-56.59
CC[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010791090	0	36	-1.0	-53.71	310.70	3.11	-50.60
CCOCC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010791091	0	38	-1.0	-54.97	332.21	3.70	-51.27
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791092	0	37	-1.0	-59.37	329.97	5.00	-54.37
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010791093	0	31	-1.0	-53.75	315.34	5.02	-48.73
CC[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010791094	0	38	-1.0	-50.91	335.68	4.22	-46.69
CC[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010791095	0	41	-1.0	-53.76	342.48	3.97	-49.79
CC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791096	0	31	-1.0	-54.52	300.58	4.70	-49.82
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010791097	0	39	-1.0	-52.49	344.16	5.85	-46.64
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010791098	0	40	-1.0	-61.14	341.17	5.68	-55.46
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010791099	0	34	-1.0	-50.73	312.96	4.76	-45.97
CC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010791100	0	33	-1.0	-52.65	314.62	4.45	-48.20
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010791101	0	34	-1.0	-49.91	327.80	4.54	-45.37
CC[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010791102	0	40	-1.0	-56.28	339.21	0.73	-55.55
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010791103	0	32	-1.0	-54.21	306.89	4.74	-49.47
CC[C@@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010791104	0	34	-1.0	-52.15	341.16	4.24	-47.91
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010791106	0	30	-1.0	-48.02	296.91	2.30	-45.72
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010791107	0	33	-1.0	-61.26	312.94	4.24	-57.02
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010791108	0	33	-1.0	-57.41	306.75	3.93	-53.48
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010791109	0	30	-1.0	-48.02	296.91	2.30	-45.72
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010791110	0	31	-1.0	-53.75	315.34	5.02	-48.73
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010791111	0	37	-1.0	-57.44	312.17	5.81	-51.63
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010791112	0	32	-1.0	-61.65	305.87	3.96	-57.69
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010791113	0	35	-1.0	-54.85	313.45	3.36	-51.49
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010791114	0	42	-1.0	-53.04	359.65	4.48	-48.56
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010791115	0	28	-1.0	-42.41	283.80	3.68	-38.73
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010791116	0	34	-1.0	-61.29	320.11	-0.64	-61.93
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010791117	0	38	-1.0	-55.21	325.06	4.28	-50.93
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010791118	0	34	-1.0	-57.31	322.91	0.86	-56.45
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010791119	0	32	-1.0	-52.73	309.69	4.85	-47.88
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010791120	0	32	-1.0	-52.81	309.68	4.86	-47.95
CC[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010791121	0	30	-1.0	-53.10	286.19	2.40	-50.70
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010791122	0	37	-1.0	-60.20	326.07	2.08	-58.12
CC[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010791123	0	45	-1.0	-57.72	332.37	5.85	-51.87
CC[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010791124	0	36	-1.0	-65.53	325.61	-0.19	-65.72
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C2C=CC=CN12	REAL300010791125	0	40	-1.0	-62.14	355.57	5.01	-57.13
CC[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010791126	0	32	-1.0	-58.88	303.11	2.03	-56.85
CC[C@@H](NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010791127	0	37	-1.0	-57.47	336.49	4.83	-52.64
CC[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010791128	0	38	-1.0	-57.79	338.67	5.87	-51.92
CC[C@@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010791129	0	39	-1.0	-57.54	305.33	3.23	-54.31
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010791130	0	50	-1.0	-54.97	384.96	7.19	-47.78
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791131	0	31	-1.0	-56.81	300.68	3.82	-52.99
CC[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010791132	0	39	-1.0	-55.01	328.91	3.99	-51.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=NN1	REAL300010791133	0	34	-1.0	-53.60	313.46	0.96	-52.64
CC[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010791134	0	33	-1.0	-54.61	306.38	1.57	-53.04
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010791135	1	31	-1.0	-51.20	311.29	2.32	-48.88
CC[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010791136	0	39	-1.0	-53.40	334.89	4.86	-48.54
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010791137	0	32	-1.0	-55.05	304.70	4.18	-50.87
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010791138	0	32	-1.0	-53.31	303.04	3.90	-49.41
CC[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010791139	0	32	-1.0	-55.93	292.07	2.54	-53.39
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010791140	0	32	-1.0	-56.42	300.71	2.66	-53.76
CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010791141	0	31	-1.0	-53.34	281.24	4.40	-48.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010791142	0	37	-1.0	-51.64	334.16	3.50	-48.14
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010791143	0	25	-1.0	-47.57	281.34	3.11	-44.46
CC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010791144	0	41	-1.0	-51.80	346.16	5.32	-46.48
CC[C@@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010791145	0	45	-1.0	-53.05	373.66	4.92	-48.13
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010791146	0	31	-1.0	-52.38	310.01	4.37	-48.01
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010791147	0	33	-1.0	-55.82	308.19	3.66	-52.16
CC[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010791148	0	25	-1.0	-53.39	262.00	2.44	-50.95
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010791149	0	39	-1.0	-57.41	345.69	5.94	-51.47
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010791150	0	34	-1.0	-65.79	284.86	4.22	-61.57
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010791151	0	33	-1.0	-52.47	310.45	1.57	-50.90
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010791152	0	29	-1.0	-45.24	297.77	1.86	-43.38
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010791153	0	39	-1.0	-54.24	339.20	4.61	-49.63
CC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010791154	0	38	-1.0	-53.88	332.75	3.66	-50.22
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010791155	0	32	-1.0	-63.71	289.45	2.23	-61.48
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010791156	0	34	-1.0	-52.81	317.86	5.79	-47.02
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010791157	0	38	-1.0	-52.88	346.44	6.92	-45.96
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010791158	0	31	-1.0	-54.84	308.30	3.94	-50.90
CCC1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1Br	REAL300010791159	0	34	-1.0	-50.88	314.56	4.86	-46.02
CC[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010791160	0	41	-1.0	-51.79	333.76	3.71	-48.08
CC[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010791161	0	42	-1.0	-59.71	360.40	3.39	-56.32
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010791162	0	34	-1.0	-54.42	312.42	5.81	-48.61
CC[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010791163	0	36	-1.0	-50.75	304.30	0.64	-50.11
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010791164	0	34	-1.0	-53.08	320.35	2.82	-50.26
CC[C@@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010791165	0	42	-1.0	-64.60	362.28	3.65	-60.95
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010791166	0	43	-1.0	-54.28	357.41	3.37	-50.91
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010791167	0	31	-1.0	-51.83	298.01	0.78	-51.05
CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010791168	0	27	-1.0	-49.35	282.90	1.01	-48.34
CC[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010791169	0	38	-1.0	-54.19	309.40	0.48	-53.71
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010791170	0	31	-1.0	-64.57	306.19	2.85	-61.72
CC[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010791171	1	26	-1.0	-52.56	269.39	0.84	-51.72
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010791172	0	32	-1.0	-64.56	304.40	1.08	-63.48
CC[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010791173	0	25	-1.0	-51.41	276.39	3.22	-48.19
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010791174	0	32	-1.0	-57.15	305.05	3.50	-53.65
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010791175	0	30	-1.0	-54.93	291.59	2.14	-52.79
CC[C@@H](NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010791176	0	31	-1.0	-44.42	296.03	0.34	-44.08
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])S1	REAL300010791177	0	37	-1.0	-57.12	338.35	2.08	-55.04
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010791178	0	35	-1.0	-57.35	317.71	0.94	-56.41
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791179	0	32	-1.0	-52.11	319.59	5.15	-46.96
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791180	0	33	-1.0	-55.69	303.50	5.02	-50.67
CC[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010791181	1	27	-1.0	-55.85	277.34	1.91	-53.94
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010791182	0	39	-1.0	-57.81	328.84	3.46	-54.35
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010791183	0	36	-1.0	-55.03	309.91	4.21	-50.82
CC[C@@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010791184	0	36	-1.0	-49.50	322.32	2.37	-47.13
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791185	0	31	-1.0	-58.53	290.65	4.90	-53.63
CC[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010791186	0	35	-1.0	-52.45	306.91	4.30	-48.15
CC[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010791187	0	35	-1.0	-53.80	315.10	5.20	-48.60
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010791188	0	40	-1.0	-55.31	322.01	3.87	-51.44
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010791189	0	42	-1.0	-52.35	364.09	6.58	-45.77
CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010791190	0	35	-1.0	-55.34	316.76	5.25	-50.09
CC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010791191	0	25	-1.0	-51.55	262.56	2.50	-49.05
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010791192	0	32	-1.0	-53.13	305.83	3.47	-49.66
CC[C@@H](NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010791193	0	30	-1.0	-51.78	284.37	2.51	-49.27
CC[C@@H](NS(=O)(=O)C1=CC(I)=CC=C1C)C(=O)[O-]	REAL300010791194	0	31	-1.0	-54.91	295.31	4.91	-50.00
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010791195	0	37	-1.0	-60.93	319.31	4.77	-56.16
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010791196	0	39	-1.0	-54.49	339.50	7.13	-47.36
CC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010791197	0	31	-1.0	-54.93	293.34	3.95	-50.98
CC[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010791198	0	27	-1.0	-48.95	271.66	1.81	-47.14
CC[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791199	0	30	-1.0	-59.45	276.16	2.52	-56.93
CC[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010791200	0	31	-1.0	-51.08	278.34	2.37	-48.71
CC[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010791201	0	36	-1.0	-61.39	306.85	-1.40	-62.79
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010791202	0	30	-1.0	-50.19	290.81	2.23	-47.96
CC[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791203	1	27	-1.0	-50.90	283.29	2.56	-48.34
CC[C@@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010791204	0	32	-1.0	-59.83	303.82	2.33	-57.50
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010791205	0	32	-1.0	-53.29	305.36	4.74	-48.55
CC[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010791206	0	37	-1.0	-61.02	335.63	2.56	-58.46
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010791207	0	35	-1.0	-60.24	307.72	5.26	-54.98
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1I)C(=O)[O-]	REAL300010791208	0	32	-1.0	-55.17	303.30	3.42	-51.75
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010791209	0	31	-1.0	-43.43	303.34	4.68	-38.75
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010791210	0	32	-1.0	-49.38	307.15	2.89	-46.49
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=C(C(C)C)C=C2)C=C1)C(=O)[O-]	REAL300010791211	0	51	-1.0	-53.29	426.72	8.22	-45.07
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010791212	0	35	-1.0	-61.90	297.60	2.95	-58.95
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(=O)OC	REAL300010791213	0	41	-1.0	-56.89	359.18	4.63	-52.26
CC[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010791214	0	41	-1.0	-58.84	354.81	5.52	-53.32
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010791215	0	34	-1.0	-51.74	320.33	1.26	-50.48
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010791216	0	34	-1.0	-53.56	318.84	4.96	-48.60
CC[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010791217	0	33	-1.0	-58.60	291.82	2.63	-55.97
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010791218	0	34	-1.0	-65.47	301.79	4.62	-60.85
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010791219	0	28	-1.0	-53.43	273.53	4.13	-49.30
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1I)C(=O)[O-]	REAL300010791220	0	32	-1.0	-55.17	303.30	3.42	-51.75
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010791221	0	39	-1.0	-52.42	352.04	3.98	-48.44
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010791222	0	36	-1.0	-52.00	311.63	4.19	-47.81
CC[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010791223	1	24	-1.0	-47.88	260.20	1.48	-46.40
CC[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010791224	0	30	-1.0	-51.40	291.90	1.50	-49.90
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010791225	0	35	-1.0	-53.23	327.97	3.95	-49.28
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010791226	0	41	-1.0	-46.13	343.01	5.13	-41.00
CC[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010791227	1	33	-1.0	-60.18	305.47	2.04	-58.14
C[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010791228	0	31	-1.0	-48.90	291.24	5.06	-43.84
C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010791229	0	25	-1.0	-45.80	252.13	2.72	-43.08
C[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010791230	0	25	-1.0	-50.90	252.27	2.98	-47.92
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791231	0	34	-1.0	-46.42	307.72	3.68	-42.74
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300010791232	0	25	-1.0	-45.45	269.74	3.50	-41.95
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791233	0	31	-1.0	-49.20	286.36	2.84	-46.36
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010791234	0	41	-1.0	-50.40	359.38	-0.35	-50.75
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791235	0	42	-1.0	-49.52	367.61	1.81	-47.71
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010791236	0	36	-1.0	-50.06	327.18	0.06	-50.00
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791237	0	35	-1.0	-51.22	312.99	1.10	-50.12
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010791238	0	27	-1.0	-40.73	275.74	3.45	-37.28
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010791239	0	25	-1.0	-41.32	268.81	3.40	-37.92
C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010791240	0	25	-1.0	-44.00	272.47	3.90	-40.10
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791241	0	29	-1.0	-47.48	281.07	2.06	-45.42
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791242	0	36	-1.0	-53.78	304.00	0.85	-52.93
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791243	0	31	-1.0	-42.87	308.65	4.10	-38.77
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010791244	0	37	-1.0	-50.40	340.61	3.38	-47.02
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791245	0	37	-1.0	-57.58	330.68	4.25	-53.33
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010791246	0	28	-1.0	-45.81	272.09	4.16	-41.65
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010791247	0	28	-1.0	-44.75	270.59	3.26	-41.49
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1NC(C)=O	REAL300010791248	0	36	-1.0	-57.65	315.96	0.38	-57.27
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791249	0	29	-1.0	-44.73	277.08	1.87	-42.86
C[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010791250	0	34	-1.0	-48.45	293.65	2.03	-46.42
C[C@@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010791251	0	22	-1.0	-44.38	244.29	1.84	-42.54
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1Cl	REAL300010791252	0	31	-1.0	-45.66	287.37	4.48	-41.18
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791253	0	29	-1.0	-49.34	268.94	2.59	-46.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791254	0	43	-1.0	-46.19	334.94	5.99	-40.20
C[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010791255	0	41	-1.0	-46.68	332.92	5.89	-40.79
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791256	0	35	-1.0	-48.30	328.10	1.69	-46.61
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791257	0	32	-1.0	-51.19	305.48	0.27	-50.92
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791258	0	35	-1.0	-60.13	303.26	1.96	-58.17
C[C@@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010791259	0	22	-1.0	-38.82	257.24	2.35	-36.47
C[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010791260	0	35	-1.0	-48.11	305.27	5.50	-42.61
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010791261	0	28	-1.0	-41.48	286.45	3.77	-37.71
C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791262	0	25	-1.0	-44.00	267.66	3.81	-40.19
C[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010791263	1	25	-1.0	-43.94	252.84	2.44	-41.50
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010791264	0	28	-1.0	-47.46	264.38	2.79	-44.67
C[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010791265	0	25	-1.0	-43.73	252.55	2.45	-41.28
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791266	0	28	-1.0	-44.52	286.59	3.58	-40.94
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791267	0	28	-1.0	-44.98	275.41	3.14	-41.84
C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010791268	0	28	-1.0	-46.05	261.98	3.71	-42.34
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010791269	0	36	-1.0	-47.18	336.77	5.50	-41.68
C[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010791270	0	25	-1.0	-46.90	258.86	3.05	-43.85
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791271	0	31	-1.0	-46.15	275.64	2.66	-43.49
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791272	0	28	-1.0	-42.97	291.22	3.72	-39.25
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010791273	0	25	-1.0	-44.36	258.17	2.76	-41.60
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300010791274	0	40	-1.0	-47.12	349.27	4.22	-42.90
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300010791275	0	25	-1.0	-46.77	273.76	3.60	-43.17
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791276	0	32	-1.0	-49.29	301.32	1.61	-47.68
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010791277	0	41	-1.0	-49.28	341.43	5.40	-43.88
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1Cl	REAL300010791278	0	28	-1.0	-49.53	269.99	3.88	-45.65
C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010791279	0	28	-1.0	-50.47	285.97	3.76	-46.71
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010791280	0	35	-1.0	-49.83	301.45	3.82	-46.01
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(N)=O	REAL300010791281	0	33	-1.0	-50.07	292.64	-0.53	-50.60
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300010791282	0	43	-1.0	-48.85	368.20	2.07	-46.78
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791283	0	32	-1.0	-58.09	282.18	0.65	-57.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791284	0	31	-1.0	-47.59	302.60	3.24	-44.35
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010791285	0	24	-1.0	-45.65	252.45	0.83	-44.82
C[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010791286	0	34	-1.0	-59.70	316.12	0.28	-59.42
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1F	REAL300010791287	0	32	-1.0	-54.03	292.90	1.10	-52.93
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C21	REAL300010791288	0	39	-1.0	-61.67	323.54	3.69	-57.98
C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010791289	0	25	-1.0	-45.98	255.06	2.93	-43.05
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010791290	0	36	-1.0	-47.58	314.41	1.58	-46.00
C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010791291	0	28	-1.0	-49.66	275.12	3.43	-46.23
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010791292	0	25	-1.0	-44.08	267.30	3.17	-40.91
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791293	0	38	-1.0	-55.59	334.80	1.87	-53.72
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791294	0	39	-1.0	-55.87	329.84	0.98	-54.89
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791295	0	33	-1.0	-49.35	292.19	4.57	-44.78
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791296	0	41	-1.0	-46.36	343.00	4.41	-41.95
C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010791297	0	39	-1.0	-46.81	325.14	4.27	-42.54
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791298	0	38	-1.0	-46.49	324.04	3.80	-42.69
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010791299	0	29	-1.0	-46.88	286.21	2.23	-44.65
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300010791300	0	38	-1.0	-47.11	320.45	3.67	-43.44
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791301	0	36	-1.0	-48.62	315.83	1.59	-47.03
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791302	0	36	-1.0	-54.85	321.82	1.74	-53.11
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010791303	0	40	-1.0	-49.91	336.97	1.61	-48.30
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Br)=C1	REAL300010791304	0	28	-1.0	-50.85	273.88	3.65	-47.20
C[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010791305	0	31	-1.0	-52.57	308.16	0.29	-52.28
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791306	0	31	-1.0	-52.71	292.74	4.12	-48.59
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)N(C)C(=O)N2C)C(=O)[O-]	REAL300010791307	0	35	-1.0	-50.92	332.24	3.89	-47.03
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791308	0	31	-1.0	-47.37	307.17	3.35	-44.02
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010791309	0	29	-1.0	-49.76	292.71	3.53	-46.23
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791310	0	42	-1.0	-52.58	368.88	1.27	-51.31
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1OC	REAL300010791311	0	35	-1.0	-50.04	313.01	2.81	-47.23
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791312	0	34	-1.0	-46.55	301.89	3.28	-43.27
C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010791313	0	35	-1.0	-54.29	305.40	-1.99	-56.28
C[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010791314	0	34	-1.0	-54.88	299.73	2.15	-52.73
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010791315	0	34	-1.0	-50.41	305.25	3.42	-46.99
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010791316	0	38	-1.0	-53.13	336.34	5.07	-48.06
C[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010791317	0	33	-1.0	-58.86	297.27	1.49	-57.37
C[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010791319	0	32	-1.0	-52.36	296.16	3.32	-49.04
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1F	REAL300010791320	0	31	-1.0	-51.46	288.10	2.51	-48.95
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Cl)=C1Cl	REAL300010791321	0	29	-1.0	-47.43	289.28	2.52	-44.91
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010791322	0	35	-1.0	-46.84	327.49	4.20	-42.64
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(Br)O1	REAL300010791323	0	28	-1.0	-42.75	275.49	1.01	-41.74
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C(Br)S1	REAL300010791324	0	25	-1.0	-46.82	266.34	2.73	-44.09
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300010791325	0	33	-1.0	-54.94	281.36	5.01	-49.93
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791326	0	31	-1.0	-45.36	302.18	3.44	-41.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791327	0	34	-1.0	-56.63	307.35	0.51	-56.12
C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010791328	0	29	-1.0	-47.60	276.03	4.03	-43.57
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791329	0	41	-1.0	-49.17	342.07	3.82	-45.35
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010791330	0	36	-1.0	-57.21	318.89	2.07	-55.14
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010791331	0	37	-1.0	-49.93	339.87	-0.06	-49.99
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791332	0	33	-1.0	-50.47	307.44	-1.74	-52.21
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791333	0	35	-1.0	-55.25	326.79	1.05	-54.20
C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010791334	0	28	-1.0	-49.09	287.29	3.82	-45.27
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C)N1	REAL300010791335	0	38	-1.0	-49.46	323.16	2.65	-46.81
C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010791336	0	25	-1.0	-51.06	250.37	3.00	-48.06
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S2)=CS1	REAL300010791337	0	31	-1.0	-47.59	310.14	2.67	-44.92
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010791338	0	45	-1.0	-46.17	365.43	5.71	-40.46
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010791339	0	35	-1.0	-52.59	328.09	1.67	-50.92
C[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010791340	0	25	-1.0	-45.60	258.61	3.19	-42.41
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791341	0	34	-1.0	-52.50	301.17	3.68	-48.82
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791342	0	27	-1.0	-50.40	266.13	4.06	-46.34
COC1=CC(F)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300010791343	0	33	-1.0	-48.77	284.31	1.00	-47.77
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300010791344	0	36	-1.0	-48.51	306.29	2.24	-46.27
C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791345	1	27	-1.0	-48.11	281.08	4.81	-43.30
C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010791346	0	28	-1.0	-50.90	269.72	2.92	-47.98
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Br)=C1	REAL300010791347	0	31	-1.0	-48.73	307.37	3.63	-45.10
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791348	0	28	-1.0	-45.91	270.43	3.30	-42.61
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010791349	0	29	-1.0	-50.26	287.95	-0.19	-50.45
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010791350	0	31	-1.0	-46.47	287.34	4.90	-41.57
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010791351	0	30	-1.0	-44.41	283.59	4.31	-40.10
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791352	0	34	-1.0	-46.92	328.79	4.29	-42.63
CC1=C(Br)SC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791353	0	25	-1.0	-44.53	264.12	2.42	-42.11
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791354	0	30	-1.0	-43.04	292.94	3.79	-39.25
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(F)=C1F	REAL300010791355	0	31	-1.0	-44.34	296.70	2.83	-41.51
C[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010791356	0	43	-1.0	-46.47	317.58	3.90	-42.57
C[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010791357	0	36	-1.0	-47.41	308.34	0.60	-46.81
CC1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1Br	REAL300010791358	0	28	-1.0	-48.44	266.61	3.44	-45.00
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791359	0	31	-1.0	-51.89	290.06	3.21	-48.68
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010791360	0	31	-1.0	-45.23	286.33	2.84	-42.39
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791361	0	31	-1.0	-47.37	285.71	4.01	-43.36
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010791362	0	31	-1.0	-45.78	301.99	3.23	-42.55
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010791363	0	38	-1.0	-49.29	323.11	4.75	-44.54
C[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Br)C(=O)[O-]	REAL300010791364	0	31	-1.0	-54.00	309.36	0.39	-53.61
C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010791365	0	39	-1.0	-53.74	349.54	4.14	-49.60
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791366	0	27	-1.0	-45.20	275.49	3.21	-41.99
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791367	0	39	-1.0	-48.79	337.92	2.54	-46.25
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791368	0	41	-1.0	-46.42	346.93	4.67	-41.75
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791369	0	27	-1.0	-56.00	264.15	4.30	-51.70
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1F	REAL300010791370	0	31	-1.0	-47.20	290.26	2.78	-44.42
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010791371	0	31	-1.0	-44.00	312.36	3.76	-40.24
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791372	0	35	-1.0	-53.73	302.08	2.64	-51.09
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791373	0	37	-1.0	-51.74	318.78	4.20	-47.54
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1C	REAL300010791374	0	34	-1.0	-47.11	301.91	3.26	-43.85
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791375	0	31	-1.0	-51.39	280.38	2.44	-48.95
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791376	0	31	-1.0	-52.17	278.36	3.89	-48.28
C[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010791377	0	24	-1.0	-43.47	247.15	0.89	-42.58
C[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791378	0	29	-1.0	-45.19	287.47	3.54	-41.65
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791379	0	39	-1.0	-48.89	342.00	0.03	-48.86
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010791380	0	25	-1.0	-44.18	257.93	2.77	-41.41
C[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010791381	0	32	-1.0	-60.83	295.71	-0.05	-60.88
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791382	0	28	-1.0	-45.49	265.39	3.56	-41.93
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010791383	0	29	-1.0	-44.56	280.85	2.08	-42.48
C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010791384	0	33	-1.0	-50.53	309.88	-1.12	-51.65
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1OC	REAL300010791385	0	42	-1.0	-53.03	362.00	1.24	-51.79
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791386	0	29	-1.0	-48.53	277.91	2.17	-46.36
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791387	0	34	-1.0	-54.18	313.28	0.50	-53.68
C[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010791388	0	27	-1.0	-44.64	279.35	1.99	-42.65
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791389	0	30	-1.0	-49.39	288.65	3.20	-46.19
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010791390	0	26	-1.0	-44.95	272.98	3.10	-41.85
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791391	0	32	-1.0	-46.94	302.69	3.00	-43.94
C[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010791392	0	30	-1.0	-45.69	281.45	-2.48	-48.17
C[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010791393	0	39	-1.0	-46.72	344.07	4.03	-42.69
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791394	0	30	-1.0	-49.58	288.39	2.18	-47.40
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791395	0	41	-1.0	-57.13	367.54	0.75	-56.38
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010791396	0	35	-1.0	-50.19	311.08	3.00	-47.19
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791397	0	33	-1.0	-51.46	307.68	-1.75	-53.21
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791398	0	34	-1.0	-53.10	304.53	3.92	-49.18
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010791399	0	46	-1.0	-52.63	371.74	2.40	-50.23
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791400	0	46	-1.0	-51.57	384.74	3.03	-48.54
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791401	0	37	-1.0	-46.15	329.22	4.47	-41.68
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300010791402	0	43	-1.0	-52.96	368.17	2.07	-50.89
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010791403	0	31	-1.0	-47.76	293.11	2.03	-45.73
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791404	0	31	-1.0	-51.79	292.55	3.80	-47.99
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300010791405	0	31	-1.0	-47.50	318.81	3.37	-44.13
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791406	0	28	-1.0	-46.90	267.93	3.61	-43.29
C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010791407	0	41	-1.0	-51.75	346.22	3.01	-48.74
COC1=CC(Br)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300010791408	0	33	-1.0	-46.76	307.33	2.09	-44.67
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OCC	REAL300010791409	0	39	-1.0	-47.72	333.37	3.15	-44.57
C[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010791410	0	30	-1.0	-51.52	285.28	-2.96	-54.48
C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010791411	0	36	-1.0	-54.70	308.89	3.20	-51.50
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300010791412	0	39	-1.0	-54.43	323.48	3.68	-50.75
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300010791413	0	33	-1.0	-48.51	292.32	4.25	-44.26
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300010791414	0	36	-1.0	-55.48	311.42	3.22	-52.26
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2CC1C	REAL300010791415	0	39	-1.0	-53.32	325.99	3.69	-49.63
C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791416	0	29	-1.0	-46.37	287.49	3.28	-43.09
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010791417	0	31	-1.0	-51.95	287.63	-0.92	-52.87
C[C@@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010791418	0	31	-1.0	-48.95	281.56	-0.67	-49.62
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010791419	0	31	-1.0	-47.72	295.79	-0.05	-47.77
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010791420	0	31	-1.0	-53.36	278.87	2.84	-50.52
C[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010791421	0	29	-1.0	-50.10	262.26	2.38	-47.72
C[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010791422	0	30	-1.0	-53.03	285.12	-2.94	-55.97
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010791423	0	37	-1.0	-52.84	340.19	-0.07	-52.91
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010791424	0	31	-1.0	-52.86	286.43	-1.51	-54.37
C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010791425	0	31	-1.0	-53.84	291.79	-0.40	-54.24
C[C@@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010791426	0	32	-1.0	-48.17	296.93	1.34	-46.83
C[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010791427	0	33	-1.0	-48.08	298.78	3.65	-44.43
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010791428	0	31	-1.0	-51.20	285.17	2.04	-49.16
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791429	0	33	-1.0	-54.74	288.63	4.78	-49.96
C[C@@H](NS(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1)C(=O)[O-]	REAL300010791430	0	34	-1.0	-51.31	341.08	3.52	-47.79
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](C)C(=O)[O-])C1	REAL300010791431	0	39	-1.0	-43.31	330.44	2.92	-40.39
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791432	0	29	-1.0	-43.93	294.89	3.20	-40.73
C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010791433	0	29	-1.0	-44.83	276.82	1.88	-42.95
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010791434	0	36	-1.0	-51.77	326.54	0.09	-51.68
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791435	0	27	-1.0	-51.39	264.98	4.03	-47.36
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010791436	0	37	-1.0	-57.20	316.96	1.45	-55.75
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010791437	0	35	-1.0	-50.48	297.14	6.02	-44.46
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791438	0	34	-1.0	-50.48	307.73	3.66	-46.82
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1	REAL300010791439	0	39	-1.0	-52.93	322.41	1.91	-51.02
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010791440	0	25	-1.0	-44.70	252.39	2.70	-42.00
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791441	0	32	-1.0	-49.89	290.52	3.50	-46.39
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791442	0	28	-1.0	-44.53	282.75	3.51	-41.02
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010791443	0	28	-1.0	-41.60	286.20	3.77	-37.83
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=CO1	REAL300010791444	0	34	-1.0	-50.57	307.24	1.16	-49.41
COC(=O)C1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010791445	0	34	-1.0	-51.24	318.14	4.55	-46.69
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010791446	0	33	-1.0	-50.70	308.22	2.06	-48.64
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791447	0	34	-1.0	-52.51	308.05	3.53	-48.98
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=N2)C=C1	REAL300010791448	0	35	-1.0	-47.80	313.11	3.84	-43.96
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C21	REAL300010791449	0	36	-1.0	-62.82	310.03	3.15	-59.67
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010791450	0	39	-1.0	-50.61	333.47	1.66	-48.95
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010791451	0	33	-1.0	-45.88	304.84	3.21	-42.67
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010791452	0	39	-1.0	-43.22	346.00	4.69	-38.53
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=N1	REAL300010791453	0	36	-1.0	-51.94	318.69	2.82	-49.12
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010791454	0	31	-1.0	-45.11	296.62	2.93	-42.18
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791455	0	35	-1.0	-54.92	298.48	2.33	-52.59
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1C	REAL300010791456	0	35	-1.0	-58.23	306.06	1.89	-56.34
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791457	0	33	-1.0	-42.44	286.86	4.35	-38.09
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Br)=C1	REAL300010791458	0	34	-1.0	-48.36	329.23	4.56	-43.80
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010791459	0	31	-1.0	-47.25	299.09	0.11	-47.14
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010791460	0	33	-1.0	-51.11	304.92	1.90	-49.21
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791461	0	34	-1.0	-53.09	308.87	3.46	-49.63
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010791462	0	36	-1.0	-49.21	306.54	2.21	-47.00
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791463	0	34	-1.0	-56.58	308.88	3.45	-53.13
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010791464	0	36	-1.0	-48.27	315.27	6.20	-42.07
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791465	0	35	-1.0	-51.71	316.94	3.00	-48.71
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791466	0	38	-1.0	-50.29	337.90	3.15	-47.14
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791467	0	28	-1.0	-51.34	268.80	4.22	-47.12
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791468	0	27	-1.0	-50.07	270.70	4.17	-45.90
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010791469	0	27	-1.0	-45.24	280.69	3.65	-41.59
C[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010791470	0	22	-1.0	-53.86	246.43	1.68	-52.18
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010791471	0	33	-1.0	-51.51	285.41	0.98	-50.53
C[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010791472	0	24	-1.0	-43.13	261.47	1.43	-41.70
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010791473	0	27	-1.0	-43.12	275.45	3.21	-39.91
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791474	0	34	-1.0	-53.40	311.96	0.62	-52.78
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791475	0	32	-1.0	-48.23	302.01	2.77	-45.46
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791476	0	27	-1.0	-51.13	269.55	4.14	-46.99
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010791477	0	39	-1.0	-47.69	342.11	5.38	-42.31
C[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010791478	0	40	-1.0	-57.37	306.95	4.56	-52.81
C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010791479	0	33	-1.0	-53.82	302.82	-1.58	-55.40
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1	REAL300010791480	0	38	-1.0	-48.60	320.34	1.17	-47.43
COC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010791481	0	34	-1.0	-49.93	302.78	3.02	-46.91
C[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010791482	0	35	-1.0	-49.72	316.93	3.62	-46.10
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791483	0	47	-1.0	-42.83	375.48	5.28	-37.55
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791484	0	31	-1.0	-50.30	303.16	3.54	-46.76
C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010791485	0	33	-1.0	-53.87	304.65	-1.21	-55.08
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010791486	0	31	-1.0	-53.34	295.91	-0.37	-53.71
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791487	0	32	-1.0	-49.40	287.12	3.16	-46.24
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300010791488	0	37	-1.0	-48.50	321.74	3.62	-44.88
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2F)N=C1	REAL300010791489	0	35	-1.0	-46.79	314.67	3.94	-42.85
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791490	0	32	-1.0	-43.91	308.90	1.13	-42.78
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791491	0	30	-1.0	-47.28	291.73	3.97	-43.31
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010791492	0	31	-1.0	-45.71	288.39	3.34	-42.37
C[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010791493	0	22	-1.0	-38.88	261.87	2.45	-36.43
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010791494	0	37	-1.0	-49.71	326.19	4.12	-45.59
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010791495	0	25	-1.0	-47.73	247.16	2.40	-45.33
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300010791496	0	31	-1.0	-45.97	285.28	3.61	-42.36
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010791497	0	31	-1.0	-47.87	303.92	2.82	-45.05
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791498	0	32	-1.0	-51.72	298.72	2.71	-49.01
C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010791499	0	28	-1.0	-50.75	280.35	3.48	-47.27
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791500	0	36	-1.0	-51.03	347.91	-0.45	-51.48
C[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010791501	0	34	-1.0	-48.95	312.40	4.94	-44.01
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010791502	0	27	-1.0	-46.94	276.86	3.54	-43.40
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791503	0	31	-1.0	-53.23	282.60	3.66	-49.57
C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010791504	0	37	-1.0	-59.84	327.67	0.58	-59.26
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN=C2S1	REAL300010791505	0	39	-1.0	-45.16	355.49	3.70	-41.46
C[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791506	0	32	-1.0	-50.02	299.82	2.60	-47.42
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010791507	0	25	-1.0	-41.46	268.54	3.40	-38.06
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791508	0	33	-1.0	-49.27	297.45	1.97	-47.30
C[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010791509	0	33	-1.0	-45.55	300.51	-0.53	-46.08
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791510	0	34	-1.0	-50.05	325.24	4.47	-45.58
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(Br)C=C1F	REAL300010791511	0	31	-1.0	-44.28	307.68	3.57	-40.71
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1F	REAL300010791512	0	34	-1.0	-46.97	312.00	3.69	-43.28
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010791513	0	33	-1.0	-52.40	292.85	2.66	-49.74
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791514	0	42	-1.0	-48.35	384.22	2.49	-45.86
C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010791515	0	28	-1.0	-45.71	286.30	4.05	-41.66
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010791516	0	31	-1.0	-46.24	292.58	4.87	-41.37
C[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010791517	0	28	-1.0	-47.48	285.51	4.00	-43.48
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010791518	0	31	-1.0	-51.41	276.59	4.83	-46.58
C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010791519	0	31	-1.0	-52.46	289.86	4.98	-47.48
COC1=CC(Br)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791520	0	29	-1.0	-45.34	293.93	2.74	-42.60
C[C@@H](NS(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010791521	1	22	-1.0	-38.04	264.12	2.27	-35.77
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C2O1	REAL300010791522	0	39	-1.0	-50.51	344.58	4.32	-46.19
C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010791523	0	31	-1.0	-51.52	296.15	-0.38	-51.90
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010791524	0	38	-1.0	-52.68	338.51	3.65	-49.03
C[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010791525	0	36	-1.0	-55.43	330.06	-0.84	-56.27
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791526	0	30	-1.0	-45.90	288.07	3.94	-41.96
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791527	0	31	-1.0	-51.08	293.01	4.12	-46.96
C[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010791528	0	31	-1.0	-54.85	291.63	-0.38	-55.23
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010791529	0	41	-1.0	-51.25	350.71	-0.26	-51.51
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)C(=O)[O-])CC1	REAL300010791530	0	39	-1.0	-50.64	324.86	2.97	-47.67
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010791531	0	40	-1.0	-53.40	352.75	1.22	-52.18
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791532	0	35	-1.0	-52.76	307.75	1.78	-50.98
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791533	0	34	-1.0	-55.39	298.63	3.90	-51.49
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791534	0	44	-1.0	-60.63	362.39	5.42	-55.21
C[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010791535	0	28	-1.0	-50.50	281.10	3.69	-46.81
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791536	0	32	-1.0	-51.96	296.60	1.32	-50.64
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791537	0	29	-1.0	-45.74	290.62	2.57	-43.17
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791538	0	37	-1.0	-51.54	320.37	1.15	-50.39
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791539	0	34	-1.0	-52.98	314.91	4.60	-48.38
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010791540	0	36	-1.0	-47.06	336.24	5.46	-41.60
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300010791541	0	34	-1.0	-49.21	295.95	3.51	-45.70
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791542	0	27	-1.0	-43.84	280.37	3.39	-40.45
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791543	0	29	-1.0	-43.86	287.13	2.80	-41.06
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=C1	REAL300010791544	0	39	-1.0	-46.70	341.18	5.61	-41.09
C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010791545	0	39	-1.0	-55.05	356.30	1.10	-53.95
C[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010791546	0	25	-1.0	-44.32	258.63	3.19	-41.13
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300010791547	0	42	-1.0	-49.28	377.57	3.73	-45.55
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010791548	0	34	-1.0	-52.73	327.38	3.35	-49.38
C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010791549	0	25	-1.0	-48.80	262.64	2.10	-46.70
C[C@@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010791550	0	38	-1.0	-52.40	353.38	4.11	-48.29
C[C@@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010791551	0	34	-1.0	-53.38	309.02	3.93	-49.45
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010791552	0	42	-1.0	-58.62	368.02	1.80	-56.82
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010791553	0	31	-1.0	-49.29	297.52	2.75	-46.54
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010791554	0	31	-1.0	-47.60	314.24	3.27	-44.33
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300010791555	0	31	-1.0	-50.19	318.81	3.36	-46.83
CC1=CC(Br)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791557	0	25	-1.0	-41.69	265.10	2.46	-39.23
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010791558	0	30	-1.0	-50.86	283.57	2.59	-48.27
CC1=C(Br)SC(S(=O)(=O)N[C@H](C)C(=O)[O-])=N1	REAL300010791559	1	24	-1.0	-43.42	259.23	0.29	-43.13
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791560	0	30	-1.0	-46.06	279.89	3.61	-42.45
C[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010791561	0	29	-1.0	-46.24	283.92	0.95	-45.29
C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791562	0	33	-1.0	-57.70	294.87	3.99	-53.71
C[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010791563	0	33	-1.0	-53.35	303.78	4.25	-49.10
CC1=NN2C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=NC2=C1Cl	REAL300010791564	0	30	-1.0	-45.04	287.67	1.73	-43.31
CCCCCCN1C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(=O)NC1=O	REAL300010791565	0	43	-1.0	-55.73	358.56	2.55	-53.18
C[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010791567	0	36	-1.0	-52.60	321.78	4.16	-48.44
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010791568	0	30	-1.0	-46.27	283.87	3.42	-42.85
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791569	0	31	-1.0	-51.11	282.68	3.68	-47.43
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300010791570	0	43	-1.0	-55.23	367.81	0.28	-54.95
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300010791571	0	40	-1.0	-55.42	346.32	-0.52	-55.94
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791572	1	40	-1.0	-50.32	344.20	-0.81	-51.13
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791573	0	39	-1.0	-49.38	353.08	0.55	-48.83
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br)C(=O)[O-]	REAL300010791574	0	29	-1.0	-46.22	298.42	2.78	-43.44
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010791575	0	39	-1.0	-50.78	336.95	3.28	-47.50
C[C@@H](NS(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010791576	0	28	-1.0	-48.05	286.19	0.95	-47.10
C[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010791577	0	28	-1.0	-63.27	269.47	2.01	-61.26
CC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791578	0	28	-1.0	-48.08	270.07	3.53	-44.55
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791579	0	36	-1.0	-49.45	331.35	-0.23	-49.68
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=CC=C12	REAL300010791580	0	36	-1.0	-47.31	319.25	3.15	-44.16
C[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010791581	0	35	-1.0	-47.36	326.32	6.14	-41.22
C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791582	0	28	-1.0	-48.90	287.42	3.88	-45.02
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010791583	0	33	-1.0	-66.43	299.09	0.21	-66.22
C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010791584	0	25	-1.0	-43.81	260.29	3.47	-40.34
C[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010791585	0	28	-1.0	-50.78	300.74	-0.74	-51.52
C[C@@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010791586	0	44	-1.0	-54.43	385.53	3.09	-51.34
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791587	0	39	-1.0	-54.54	366.00	-0.26	-54.80
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010791588	0	34	-1.0	-51.11	316.26	1.64	-49.47
CC(=O)NC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791589	0	35	-1.0	-48.70	320.80	2.55	-46.15
CC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010791590	0	30	-1.0	-44.77	287.59	3.11	-41.66
C[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010791591	0	36	-1.0	-49.23	335.94	1.02	-48.21
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)CC1	REAL300010791592	0	38	-1.0	-49.19	329.43	4.71	-44.48
C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010791593	0	29	-1.0	-54.22	288.85	3.56	-50.66
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010791594	0	34	-1.0	-56.20	298.41	5.86	-50.34
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010791595	0	38	-1.0	-56.60	324.78	3.50	-53.10
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010791596	0	31	-1.0	-45.01	299.70	0.14	-44.87
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791597	0	34	-1.0	-47.02	313.91	3.74	-43.28
CCC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010791598	0	34	-1.0	-46.90	311.14	2.44	-44.46
C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010791599	0	42	-1.0	-60.81	348.68	4.04	-56.77
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791600	0	38	-1.0	-47.44	342.60	3.76	-43.68
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791601	0	29	-1.0	-45.99	274.61	2.64	-43.35
C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010791602	0	45	-1.0	-49.79	350.82	3.73	-46.06
C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010791603	0	42	-1.0	-56.30	363.11	4.50	-51.80
C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010791604	0	39	-1.0	-43.60	326.27	2.42	-41.18
C[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010791605	0	36	-1.0	-53.06	328.41	2.92	-50.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791606	0	31	-1.0	-47.35	292.04	2.81	-44.54
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792001	0	27	-1.0	-47.68	261.43	0.89	-46.79
C[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010792002	0	30	-1.0	-55.15	288.39	3.31	-51.84
C[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010792003	0	30	-1.0	-53.40	285.14	3.13	-50.27
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792004	0	27	-1.0	-47.68	261.43	0.89	-46.79
C[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010792005	0	28	-1.0	-47.62	290.21	4.11	-43.51
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792006	0	29	-1.0	-52.84	282.48	3.08	-49.76
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010792007	0	39	-1.0	-47.66	334.97	3.57	-44.09
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])O1	REAL300010792008	0	31	-1.0	-56.28	295.72	-1.54	-57.82
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010792009	0	35	-1.0	-50.54	306.35	3.57	-46.97
C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010792010	0	31	-1.0	-46.89	306.80	-0.47	-47.36
C[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010792011	0	29	-1.0	-47.40	284.97	3.93	-43.47
C[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010792012	0	29	-1.0	-47.08	284.72	3.95	-43.13
CC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010792013	0	34	-1.0	-48.92	306.57	1.06	-47.86
C[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010792014	0	42	-1.0	-50.56	307.30	4.96	-45.60
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C2C=CC=CN12	REAL300010792015	0	37	-1.0	-61.84	337.87	4.03	-57.81
C[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010792016	0	29	-1.0	-55.88	278.04	1.13	-54.75
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C2C=C1	REAL300010792017	0	34	-1.0	-53.13	318.14	4.00	-49.13
C[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010792018	0	35	-1.0	-51.86	313.36	4.99	-46.87
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010792019	0	47	-1.0	-47.66	360.76	6.26	-41.40
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792020	1	28	-1.0	-44.44	286.66	1.43	-43.01
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792021	0	29	-1.0	-48.59	281.39	3.30	-45.29
C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010792022	0	29	-1.0	-48.30	281.12	2.94	-45.36
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010792023	0	29	-1.0	-48.84	276.29	1.74	-47.10
C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010792024	0	28	-1.0	-50.08	262.31	3.69	-46.39
C[C@@H](NS(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792025	0	29	-1.0	-49.46	289.18	3.62	-45.84
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010792026	0	34	-1.0	-45.58	309.73	2.59	-42.99
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010792027	0	22	-1.0	-41.92	255.99	2.20	-39.72
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792028	0	38	-1.0	-47.81	319.23	4.28	-43.53
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010792029	0	42	-1.0	-47.51	349.26	4.00	-43.51
C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010792030	0	28	-1.0	-45.71	286.89	3.44	-42.27
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010792031	0	30	-1.0	-48.15	282.31	2.74	-45.41
C[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010792032	0	22	-1.0	-52.94	252.17	2.14	-50.80
C[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792033	0	36	-1.0	-49.75	321.47	4.99	-44.76
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010792034	0	30	-1.0	-48.95	285.95	0.66	-48.29
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010792035	0	22	-1.0	-41.97	266.68	2.77	-39.20
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010792036	0	26	-1.0	-50.12	262.27	0.97	-49.15
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010792037	0	29	-1.0	-53.60	270.14	1.47	-52.13
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010792038	0	31	-1.0	-46.12	293.47	4.86	-41.26
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792039	0	34	-1.0	-43.66	323.34	4.48	-39.18
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792040	0	35	-1.0	-46.01	321.78	6.03	-39.98
COC(=O)C1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C(Cl)S1	REAL300010792041	0	28	-1.0	-49.66	287.47	3.14	-46.52
CCC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010792042	0	31	-1.0	-44.40	289.89	3.97	-40.43
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792043	0	38	-1.0	-42.43	322.91	3.32	-39.11
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792044	0	39	-1.0	-51.65	323.99	2.48	-49.17
C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010792045	0	31	-1.0	-48.69	290.88	4.99	-43.70
C[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010792046	0	31	-1.0	-47.04	295.92	1.91	-45.13
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792047	0	39	-1.0	-55.23	337.59	2.85	-52.38
C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010792048	0	40	-1.0	-47.78	332.98	2.46	-45.32
C[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010792049	0	24	-1.0	-46.58	258.45	0.05	-46.53
C[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010792050	0	35	-1.0	-43.89	295.31	-0.03	-43.92
C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010792051	0	28	-1.0	-56.65	281.96	1.94	-54.71
C[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010792052	1	23	-1.0	-46.15	244.65	-0.20	-46.35
C[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010792053	0	22	-1.0	-44.39	250.84	2.31	-42.08
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792054	0	29	-1.0	-49.34	268.94	2.59	-46.75
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010792055	0	34	-1.0	-51.75	311.63	1.20	-50.55
C[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792056	0	29	-1.0	-46.81	294.64	4.25	-42.56
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792057	0	30	-1.0	-48.09	283.48	4.31	-43.78
C[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010792058	1	24	-1.0	-49.71	252.77	1.01	-48.70
COC(=O)C1=NC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010792059	0	33	-1.0	-44.75	297.62	1.47	-43.28
C[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010792060	0	32	-1.0	-51.18	290.67	4.30	-46.88
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010792061	0	39	-1.0	-46.64	339.66	5.66	-40.98
C[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010792062	0	32	-1.0	-49.31	292.33	4.33	-44.98
C[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010792063	0	22	-1.0	-43.03	244.13	1.78	-41.25
C[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010792064	0	29	-1.0	-50.97	269.65	2.05	-48.92
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792065	0	27	-1.0	-44.40	263.18	1.69	-42.71
CC1=CC=C(I)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792066	0	28	-1.0	-46.73	274.43	4.09	-42.64
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792067	0	34	-1.0	-52.58	299.56	4.05	-48.53
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010792068	0	36	-1.0	-48.27	315.27	6.20	-42.07
C[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010792069	0	24	-1.0	-43.47	247.15	0.89	-42.58
C[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1Cl)C(=O)[O-]	REAL300010792070	0	25	-1.0	-41.13	275.30	3.88	-37.25
C[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010792071	0	28	-1.0	-45.87	263.36	2.03	-43.84
C[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010792072	0	33	-1.0	-54.98	288.20	-1.95	-56.93
CC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300010792073	0	27	-1.0	-45.88	266.43	1.28	-44.60
C[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792074	1	24	-1.0	-45.68	259.91	1.56	-44.12
C[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010792075	0	34	-1.0	-54.69	310.93	1.67	-53.02
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010792076	0	32	-1.0	-51.46	286.39	4.45	-47.01
COC1=CC=C(I)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792077	0	29	-1.0	-47.93	282.57	2.70	-45.23
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Cl)=C1Cl	REAL300010792078	0	28	-1.0	-45.07	281.43	3.83	-41.24
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010792079	0	29	-1.0	-45.79	271.82	1.57	-44.22
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300010792080	0	48	-1.0	-47.65	402.58	7.29	-40.36
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C(F)F)=C1	REAL300010792081	0	32	-1.0	-52.28	280.16	2.83	-49.45
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(=O)OC	REAL300010792082	0	38	-1.0	-50.10	335.11	3.71	-46.39
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2C1	REAL300010792083	0	38	-1.0	-51.18	330.45	4.60	-46.58
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792084	0	31	-1.0	-45.69	284.65	0.25	-45.44
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792085	0	31	-1.0	-47.94	298.00	4.14	-43.80
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010792086	0	31	-1.0	-58.73	280.19	3.76	-54.97
C[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010792087	0	25	-1.0	-50.74	257.24	3.50	-47.24
COC1=CC=C(I)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792088	0	29	-1.0	-47.93	282.57	2.70	-45.23
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2C=C1	REAL300010792089	0	36	-1.0	-47.97	327.67	3.07	-44.90
C[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010792090	1	21	-1.0	-42.09	234.65	0.54	-41.55
C[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010792091	0	27	-1.0	-46.19	267.47	0.58	-45.61
C[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010792092	0	32	-1.0	-51.04	291.33	2.56	-48.48
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010792093	0	38	-1.0	-52.40	307.39	4.15	-48.25
C[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792094	1	30	-1.0	-51.64	282.24	1.08	-50.56
C[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010792095	0	31	-1.0	-46.77	293.58	5.14	-41.63
C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010792096	0	25	-1.0	-42.62	254.02	2.80	-39.82
C[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010792097	0	25	-1.0	-44.10	250.59	2.96	-41.14
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792098	0	34	-1.0	-43.50	309.46	3.77	-39.73
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300010792099	0	25	-1.0	-40.50	271.89	3.58	-36.92
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792100	0	31	-1.0	-46.65	288.21	2.93	-43.72
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010792101	0	41	-1.0	-48.39	361.45	-0.28	-48.67
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792102	0	42	-1.0	-44.45	369.59	1.88	-42.57
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010792103	0	36	-1.0	-44.88	329.17	0.13	-44.75
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792104	0	35	-1.0	-45.07	314.89	1.19	-43.88
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010792105	0	27	-1.0	-40.76	275.59	3.46	-37.30
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010792106	0	25	-1.0	-41.34	268.67	3.40	-37.94
C[C@H](NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010792107	0	25	-1.0	-40.32	274.28	3.98	-36.34
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792108	0	29	-1.0	-43.66	282.71	2.13	-41.53
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792109	0	36	-1.0	-49.95	319.47	0.88	-49.07
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792110	0	31	-1.0	-39.38	310.52	4.20	-35.18
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010792111	0	37	-1.0	-46.97	342.35	3.47	-43.50
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792112	0	37	-1.0	-51.27	332.94	4.36	-46.91
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010792113	0	28	-1.0	-42.83	273.16	4.21	-38.62
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792114	0	28	-1.0	-41.38	272.20	3.37	-38.01
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1NC(C)=O	REAL300010792115	0	36	-1.0	-52.06	317.58	0.48	-51.58
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792116	0	29	-1.0	-40.92	278.83	1.96	-38.96
C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010792117	0	34	-1.0	-44.07	295.49	2.11	-41.96
C[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010792118	0	22	-1.0	-40.42	247.03	1.92	-38.50
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1Cl	REAL300010792119	0	31	-1.0	-41.85	291.15	4.62	-37.23
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792120	0	29	-1.0	-44.57	283.86	2.60	-41.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792121	0	43	-1.0	-43.89	339.31	6.19	-37.70
C[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010792122	0	41	-1.0	-43.43	334.94	5.96	-37.47
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792123	0	35	-1.0	-45.07	330.32	1.75	-43.32
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792124	0	32	-1.0	-46.91	308.02	0.37	-46.54
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792125	0	35	-1.0	-52.45	304.38	2.01	-50.44
C[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010792126	0	22	-1.0	-38.83	257.19	2.35	-36.48
C[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010792127	0	35	-1.0	-45.01	306.86	5.59	-39.42
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010792128	0	28	-1.0	-41.03	286.13	3.78	-37.25
C[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792129	0	25	-1.0	-40.35	269.71	3.88	-36.47
C[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010792130	1	25	-1.0	-43.21	264.63	2.86	-40.35
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010792131	0	28	-1.0	-42.97	278.87	3.27	-39.70
C[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010792132	0	25	-1.0	-39.97	266.70	2.94	-37.03
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792133	0	28	-1.0	-40.28	288.21	3.69	-36.59
C[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792134	0	28	-1.0	-40.54	277.02	3.23	-37.31
C[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010792135	0	28	-1.0	-42.58	261.93	3.73	-38.85
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010792136	0	36	-1.0	-46.91	338.19	5.57	-41.34
C[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010792137	0	25	-1.0	-40.84	257.13	3.02	-37.82
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792138	0	31	-1.0	-42.97	290.79	2.65	-40.32
C[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792139	0	28	-1.0	-39.69	293.21	3.79	-35.90
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010792140	0	25	-1.0	-40.37	259.68	2.84	-37.53
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300010792141	0	40	-1.0	-44.24	351.02	4.30	-39.94
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300010792142	0	25	-1.0	-40.77	272.02	3.57	-37.20
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792143	0	32	-1.0	-45.97	303.01	1.67	-44.30
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010792144	0	41	-1.0	-47.17	343.34	5.47	-41.70
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1Cl	REAL300010792145	0	28	-1.0	-45.30	271.65	3.95	-41.35
C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010792146	0	28	-1.0	-41.94	287.98	3.86	-38.08
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010792147	0	35	-1.0	-47.70	303.49	3.92	-43.78
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(N)=O	REAL300010792148	0	33	-1.0	-47.54	294.60	-0.46	-48.00
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300010792149	0	43	-1.0	-47.79	370.21	2.14	-45.65
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792150	0	32	-1.0	-57.56	296.33	1.16	-56.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792151	0	31	-1.0	-43.82	304.36	3.32	-40.50
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010792152	0	24	-1.0	-45.13	248.26	1.19	-43.94
C[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010792153	0	34	-1.0	-60.09	317.73	0.38	-59.71
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1F	REAL300010792154	0	32	-1.0	-48.24	294.44	1.18	-47.06
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C21	REAL300010792155	0	39	-1.0	-56.83	325.80	3.80	-53.03
C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010792156	0	25	-1.0	-40.96	257.14	3.01	-37.95
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010792157	0	36	-1.0	-43.81	316.17	1.67	-42.14
C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010792158	0	28	-1.0	-42.28	277.64	3.52	-38.76
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010792159	0	25	-1.0	-40.33	268.93	3.23	-37.10
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792160	0	38	-1.0	-54.34	336.23	1.96	-52.38
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792161	0	39	-1.0	-48.82	344.47	0.99	-47.83
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792162	0	33	-1.0	-41.30	294.35	4.64	-36.66
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792163	0	41	-1.0	-43.34	344.99	4.48	-38.86
C[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010792164	0	39	-1.0	-43.27	327.46	4.39	-38.88
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792165	0	38	-1.0	-43.47	326.03	3.87	-39.60
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010792166	0	29	-1.0	-44.09	288.08	2.28	-41.81
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300010792167	0	38	-1.0	-43.92	322.18	3.77	-40.15
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792168	0	36	-1.0	-45.42	317.82	1.66	-43.76
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792169	0	36	-1.0	-52.06	323.46	1.84	-50.22
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010792170	0	40	-1.0	-44.61	338.95	1.68	-42.93
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300010792171	0	28	-1.0	-44.31	272.15	3.61	-40.70
C[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010792172	0	31	-1.0	-52.12	308.08	0.31	-51.81
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792173	0	31	-1.0	-47.40	294.63	4.26	-43.14
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)N(C)C(=O)N2C)C(=O)[O-]	REAL300010792174	0	35	-1.0	-44.12	330.92	3.88	-40.24
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792175	0	31	-1.0	-43.74	308.92	3.42	-40.32
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010792176	0	29	-1.0	-45.57	290.93	3.52	-42.05
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792177	0	42	-1.0	-48.62	370.87	1.35	-47.27
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1OC	REAL300010792178	0	35	-1.0	-46.74	314.74	2.88	-43.86
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792179	0	34	-1.0	-43.21	303.49	3.38	-39.83
C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010792180	0	35	-1.0	-53.66	303.56	-2.23	-55.89
C[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010792181	0	34	-1.0	-52.59	301.75	2.22	-50.37
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010792182	0	34	-1.0	-48.87	307.47	3.47	-45.40
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010792183	0	38	-1.0	-51.39	338.47	5.17	-46.22
C[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010792184	0	33	-1.0	-53.12	299.25	1.57	-51.55
C[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010792186	0	32	-1.0	-50.73	298.61	3.46	-47.27
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1F	REAL300010792187	0	31	-1.0	-49.26	299.89	2.94	-46.32
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Cl)=C1Cl	REAL300010792188	0	29	-1.0	-47.28	289.16	2.51	-44.77
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010792189	0	35	-1.0	-43.75	330.14	4.29	-39.46
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(Br)O1	REAL300010792190	0	28	-1.0	-39.89	293.68	1.59	-38.30
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C(Br)S1	REAL300010792191	0	25	-1.0	-38.61	265.21	2.70	-35.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300010792192	0	33	-1.0	-53.43	284.67	5.14	-48.29
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792193	0	31	-1.0	-44.98	302.11	3.44	-41.54
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792194	0	34	-1.0	-51.70	309.63	0.63	-51.07
C[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010792195	0	29	-1.0	-43.96	277.10	4.09	-39.87
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792196	0	41	-1.0	-47.89	343.81	3.91	-43.98
C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010792197	0	36	-1.0	-51.60	320.73	2.15	-49.45
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010792198	0	37	-1.0	-48.17	342.10	-0.00	-48.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792199	0	33	-1.0	-45.33	309.45	-1.66	-46.99
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792200	0	35	-1.0	-50.21	329.70	1.13	-49.08
C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010792201	0	28	-1.0	-41.24	289.58	3.91	-37.33
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C)N1	REAL300010792202	0	38	-1.0	-45.77	325.48	2.75	-43.02
C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010792203	0	25	-1.0	-46.75	248.34	2.99	-43.76
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S2)=CS1	REAL300010792204	0	31	-1.0	-45.51	313.23	2.72	-42.79
C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010792205	0	45	-1.0	-43.53	367.66	5.77	-37.76
C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010792206	0	35	-1.0	-49.30	330.11	1.74	-47.56
C[C@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010792207	0	25	-1.0	-42.36	260.63	3.27	-39.09
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792208	0	34	-1.0	-45.01	303.55	3.78	-41.23
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792209	0	27	-1.0	-48.36	268.46	4.22	-44.14
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300010792210	0	33	-1.0	-47.91	296.20	1.41	-46.50
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300010792211	0	36	-1.0	-44.24	307.64	2.32	-41.92
C[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792212	1	27	-1.0	-45.28	282.73	4.90	-40.38
C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010792213	0	28	-1.0	-50.03	270.83	3.03	-47.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300010792214	0	31	-1.0	-42.03	305.43	3.61	-38.42
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792215	0	28	-1.0	-43.07	272.33	3.36	-39.71
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010792216	0	29	-1.0	-43.08	286.41	-0.22	-43.30
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010792217	0	31	-1.0	-43.89	289.41	5.01	-38.88
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010792218	0	30	-1.0	-42.24	284.67	4.35	-37.89
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792219	0	34	-1.0	-43.12	330.75	4.36	-38.76
CC1=C(Br)SC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792220	0	25	-1.0	-40.80	266.76	2.51	-38.29
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792221	0	30	-1.0	-41.00	294.81	3.87	-37.13
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(F)=C1F	REAL300010792222	0	31	-1.0	-42.19	298.69	2.90	-39.29
C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010792223	0	43	-1.0	-43.75	318.29	3.74	-40.01
C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010792224	0	36	-1.0	-44.92	310.81	0.73	-44.19
CC1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1Br	REAL300010792225	0	28	-1.0	-44.89	268.92	3.53	-41.36
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792226	0	31	-1.0	-48.09	291.52	3.54	-44.55
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010792227	0	31	-1.0	-42.63	288.19	2.92	-39.71
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792228	0	31	-1.0	-40.66	287.91	4.14	-36.52
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792229	0	31	-1.0	-42.55	303.72	3.30	-39.25
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010792230	0	38	-1.0	-47.30	325.46	4.85	-42.45
C[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Br)C(=O)[O-]	REAL300010792231	0	31	-1.0	-51.53	311.44	0.47	-51.06
C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010792232	0	39	-1.0	-48.49	351.15	4.24	-44.25
C[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792233	0	27	-1.0	-42.35	277.11	3.31	-39.04
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792234	0	39	-1.0	-45.60	339.91	2.61	-42.99
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792235	0	41	-1.0	-43.21	348.69	4.75	-38.46
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792236	0	27	-1.0	-52.55	265.45	4.46	-48.09
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1F	REAL300010792237	0	31	-1.0	-43.84	292.12	2.84	-41.00
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010792238	0	31	-1.0	-44.01	312.43	3.76	-40.25
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792239	0	35	-1.0	-48.64	317.25	2.67	-45.97
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792240	0	37	-1.0	-44.66	321.12	4.20	-40.46
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1C	REAL300010792241	0	34	-1.0	-44.42	303.67	3.35	-41.07
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792242	0	31	-1.0	-46.71	294.58	2.91	-43.80
C[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792243	0	31	-1.0	-45.82	280.74	3.99	-41.83
C[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010792244	0	24	-1.0	-40.85	249.10	0.96	-39.89
C[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792245	0	29	-1.0	-41.48	289.46	3.62	-37.86
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792246	0	39	-1.0	-45.95	353.27	0.59	-45.36
C[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010792247	0	25	-1.0	-40.25	259.67	2.83	-37.42
C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010792248	0	32	-1.0	-58.39	297.46	0.04	-58.35
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792249	0	28	-1.0	-42.02	267.59	3.55	-38.47
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792250	0	29	-1.0	-41.89	282.58	2.14	-39.75
C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010792251	0	33	-1.0	-47.54	311.75	-1.06	-48.60
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1OC	REAL300010792252	0	42	-1.0	-49.25	363.71	1.33	-47.92
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792253	0	29	-1.0	-43.84	280.07	2.26	-41.58
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792254	0	34	-1.0	-52.80	314.83	0.59	-52.21
C[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010792255	0	27	-1.0	-41.95	281.10	2.07	-39.88
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792256	0	30	-1.0	-48.80	288.44	3.21	-45.59
C[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010792257	0	26	-1.0	-40.68	274.97	3.16	-37.52
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792258	0	32	-1.0	-43.42	304.56	3.05	-40.37
C[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010792259	0	30	-1.0	-43.32	283.56	-2.39	-45.71
C[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010792260	0	39	-1.0	-44.83	345.71	4.12	-40.71
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792261	0	30	-1.0	-48.40	290.61	2.34	-46.06
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792262	0	41	-1.0	-53.66	369.29	0.84	-52.82
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010792263	0	35	-1.0	-46.50	312.92	3.09	-43.41
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792264	0	33	-1.0	-49.78	309.34	-1.65	-51.43
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792265	0	34	-1.0	-52.90	305.48	3.90	-49.00
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010792266	0	46	-1.0	-48.95	372.95	2.48	-46.47
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792267	0	46	-1.0	-45.19	385.95	3.11	-42.08
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792268	0	37	-1.0	-43.42	331.20	4.54	-38.88
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300010792269	0	43	-1.0	-49.81	369.93	2.16	-47.65
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010792270	0	31	-1.0	-44.46	295.19	2.11	-42.35
C[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792271	0	31	-1.0	-43.48	294.72	3.90	-39.58
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300010792272	0	31	-1.0	-48.28	318.83	3.76	-44.52
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792273	0	28	-1.0	-41.00	269.98	3.74	-37.26
C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010792274	0	41	-1.0	-48.44	348.21	3.08	-45.36
COC1=CC(Br)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300010792275	0	33	-1.0	-43.12	309.27	2.18	-40.94
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OCC	REAL300010792276	0	39	-1.0	-45.26	335.12	3.22	-42.04
C[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010792277	0	30	-1.0	-45.85	286.89	-2.86	-48.71
C[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010792278	0	36	-1.0	-51.54	310.88	3.27	-48.27
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300010792279	0	39	-1.0	-54.13	324.24	3.73	-50.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300010792280	0	33	-1.0	-40.86	295.44	4.26	-36.60
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300010792281	0	36	-1.0	-52.76	313.45	3.29	-49.47
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2CC1C	REAL300010792282	0	39	-1.0	-52.01	327.28	3.76	-48.25
C[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792283	0	29	-1.0	-41.60	289.47	3.35	-38.25
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010792284	0	31	-1.0	-46.73	289.40	-0.83	-47.56
C[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010792285	0	31	-1.0	-45.26	283.55	-0.60	-45.86
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010792286	0	31	-1.0	-42.98	297.90	0.02	-42.96
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010792287	0	31	-1.0	-51.96	281.20	3.00	-48.96
C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792288	0	29	-1.0	-46.00	279.07	2.47	-43.53
C[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010792289	0	30	-1.0	-50.72	286.91	-2.87	-53.59
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010792290	0	37	-1.0	-50.44	341.87	0.01	-50.43
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010792291	0	31	-1.0	-47.75	288.17	-1.44	-49.19
C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010792292	0	31	-1.0	-52.15	293.38	-0.30	-52.45
C[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010792293	0	32	-1.0	-44.32	298.69	1.42	-42.90
C[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010792294	0	33	-1.0	-45.39	298.63	3.63	-41.76
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010792295	0	31	-1.0	-46.96	287.19	2.12	-44.84
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792296	0	33	-1.0	-52.57	293.36	4.95	-47.62
C[C@H](NS(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1)C(=O)[O-]	REAL300010792297	0	34	-1.0	-47.35	342.78	3.59	-43.76
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])C1	REAL300010792298	0	39	-1.0	-46.00	327.13	2.88	-43.12
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792299	0	29	-1.0	-42.12	297.45	3.27	-38.85
C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010792300	0	29	-1.0	-42.02	278.85	1.96	-40.06
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010792301	0	36	-1.0	-50.14	328.41	0.16	-49.98
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792302	0	27	-1.0	-48.20	268.19	4.21	-43.99
C[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010792303	0	37	-1.0	-52.20	319.45	1.54	-50.66
C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010792304	0	35	-1.0	-46.75	304.29	5.84	-40.91
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792305	0	34	-1.0	-47.67	309.47	3.75	-43.92
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300010792306	0	39	-1.0	-45.83	327.49	2.16	-43.67
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010792307	0	25	-1.0	-41.35	254.38	2.78	-38.57
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792308	0	32	-1.0	-44.88	305.73	3.53	-41.35
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792309	0	28	-1.0	-40.41	284.60	3.60	-36.81
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010792310	0	28	-1.0	-40.88	286.30	3.82	-37.06
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=CO1	REAL300010792311	0	34	-1.0	-48.54	309.23	1.24	-47.30
COC(=O)C1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010792312	0	34	-1.0	-51.47	318.66	4.57	-46.90
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010792313	0	33	-1.0	-45.21	310.38	2.15	-43.06
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792314	0	34	-1.0	-51.60	309.65	3.62	-47.98
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=N2)C=C1	REAL300010792315	0	35	-1.0	-46.91	315.43	3.98	-42.93
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C21	REAL300010792316	0	36	-1.0	-57.97	311.66	3.20	-54.77
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010792317	0	39	-1.0	-50.28	335.07	1.68	-48.60
C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010792318	0	33	-1.0	-44.12	306.62	3.30	-40.82
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010792319	0	39	-1.0	-41.40	347.60	4.79	-36.61
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=N1	REAL300010792320	0	36	-1.0	-50.76	321.43	2.94	-47.82
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010792321	0	31	-1.0	-42.05	310.85	3.39	-38.66
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792322	0	35	-1.0	-51.93	300.19	2.38	-49.55
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1C	REAL300010792323	0	35	-1.0	-57.55	307.30	1.98	-55.57
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792324	0	33	-1.0	-40.78	291.48	4.52	-36.26
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300010792325	0	34	-1.0	-41.54	327.15	4.54	-37.00
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010792326	0	31	-1.0	-42.33	301.25	0.20	-42.13
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010792327	0	33	-1.0	-45.92	307.03	1.98	-43.94
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792328	0	34	-1.0	-45.08	311.15	3.55	-41.53
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010792329	0	36	-1.0	-45.46	308.32	2.30	-43.16
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792330	0	34	-1.0	-47.96	310.79	3.56	-44.40
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010792331	0	36	-1.0	-46.34	317.30	6.27	-40.07
COC(=O)COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792332	0	35	-1.0	-48.42	318.93	3.08	-45.34
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792333	0	38	-1.0	-46.63	339.65	3.24	-43.39
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792334	0	28	-1.0	-46.54	270.37	4.29	-42.25
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792335	0	27	-1.0	-48.18	273.03	4.32	-43.86
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010792336	0	27	-1.0	-39.82	278.80	3.64	-36.18
C[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010792337	0	22	-1.0	-41.28	243.28	1.65	-39.63
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010792338	0	33	-1.0	-50.03	297.44	1.39	-48.64
C[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010792339	0	24	-1.0	-43.11	261.58	1.44	-41.67
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010792340	0	27	-1.0	-40.58	277.21	3.29	-37.29
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792341	0	34	-1.0	-51.81	312.58	0.77	-51.04
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792342	0	32	-1.0	-44.27	303.76	2.85	-41.42
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792343	0	27	-1.0	-47.92	272.76	4.31	-43.61
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010792344	0	39	-1.0	-45.00	344.34	5.43	-39.57
C[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010792345	0	40	-1.0	-50.36	309.24	4.63	-45.73
C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010792346	0	33	-1.0	-52.25	313.50	-1.03	-53.28
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300010792347	0	38	-1.0	-44.18	318.45	0.94	-43.24
COC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010792348	0	34	-1.0	-47.22	312.96	3.47	-43.75
C[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010792349	0	35	-1.0	-46.42	319.66	3.75	-42.67
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792350	0	47	-1.0	-42.66	369.02	5.11	-37.55
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792351	0	31	-1.0	-44.41	305.47	3.61	-40.80
C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010792352	0	33	-1.0	-49.70	306.41	-1.12	-50.82
C[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010792353	0	31	-1.0	-46.50	297.79	-0.27	-46.77
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792354	0	32	-1.0	-45.09	302.09	3.14	-41.95
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300010792355	0	37	-1.0	-45.86	323.52	3.70	-42.16
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2F)N=C1	REAL300010792356	0	35	-1.0	-44.20	316.28	4.04	-40.16
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792357	0	32	-1.0	-43.88	308.65	1.15	-42.73
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792358	0	30	-1.0	-41.13	291.77	3.96	-37.17
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010792359	0	31	-1.0	-45.77	290.43	3.32	-42.45
C[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010792360	0	22	-1.0	-39.28	262.03	2.44	-36.84
C[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010792361	0	37	-1.0	-46.33	327.77	4.20	-42.13
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010792362	0	25	-1.0	-43.15	260.98	2.90	-40.25
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300010792363	0	31	-1.0	-43.21	287.27	3.70	-39.51
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010792364	0	31	-1.0	-48.60	304.08	3.20	-45.40
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792365	0	32	-1.0	-45.44	301.02	2.79	-42.65
C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010792366	0	28	-1.0	-42.89	282.72	3.55	-39.34
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792367	0	36	-1.0	-45.63	349.66	-0.38	-46.01
C[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010792368	0	34	-1.0	-45.96	314.24	5.02	-40.94
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010792369	0	27	-1.0	-40.17	278.82	3.64	-36.53
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792370	0	31	-1.0	-47.85	284.41	3.79	-44.06
C[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010792371	0	37	-1.0	-57.22	329.44	0.67	-56.55
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN=C2S1	REAL300010792372	0	39	-1.0	-43.50	357.13	3.79	-39.71
C[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792373	0	32	-1.0	-42.45	302.34	2.69	-39.76
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010792374	0	25	-1.0	-41.16	268.54	3.42	-37.74
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792375	0	33	-1.0	-45.36	312.44	1.98	-43.38
C[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010792376	0	33	-1.0	-43.46	302.53	-0.45	-43.91
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792377	0	34	-1.0	-43.74	327.19	4.55	-39.19
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(Br)C=C1F	REAL300010792378	0	31	-1.0	-40.21	309.84	3.66	-36.55
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1F	REAL300010792379	0	34	-1.0	-43.57	313.85	3.78	-39.79
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010792380	0	33	-1.0	-50.73	298.48	2.89	-47.84
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792381	0	42	-1.0	-47.22	383.99	2.51	-44.71
C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010792382	0	28	-1.0	-42.59	288.90	4.14	-38.45
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010792383	0	31	-1.0	-43.60	301.38	5.09	-38.51
C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010792384	0	28	-1.0	-45.21	287.58	4.08	-41.13
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010792385	0	31	-1.0	-48.18	278.89	5.01	-43.17
C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010792386	0	31	-1.0	-49.41	291.98	5.08	-44.33
COC1=CC(Br)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792387	0	29	-1.0	-40.72	296.08	2.82	-37.90
C[C@H](NS(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010792388	1	22	-1.0	-40.84	261.99	2.52	-38.32
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C2O1	REAL300010792389	0	39	-1.0	-48.15	346.33	4.41	-43.74
C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010792390	0	31	-1.0	-49.77	297.77	-0.28	-50.05
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010792391	0	38	-1.0	-49.67	339.36	3.69	-45.98
C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010792392	0	36	-1.0	-48.62	332.59	-0.75	-49.37
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792393	0	30	-1.0	-38.84	290.03	4.05	-34.79
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792394	0	31	-1.0	-47.11	294.62	4.24	-42.87
C[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010792395	0	31	-1.0	-53.75	293.51	-0.31	-54.06
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010792396	0	41	-1.0	-46.02	352.48	-0.18	-46.20
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300010792397	0	39	-1.0	-43.67	327.37	2.91	-40.76
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010792398	0	40	-1.0	-50.76	354.66	1.31	-49.45
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792399	0	35	-1.0	-49.34	309.74	1.86	-47.48
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792400	0	34	-1.0	-51.42	300.65	3.97	-47.45
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792401	0	44	-1.0	-57.37	363.22	5.71	-51.66
C[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010792402	0	28	-1.0	-45.29	283.14	3.79	-41.50
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792403	0	32	-1.0	-50.33	307.30	1.70	-48.63
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792404	0	29	-1.0	-45.76	290.70	2.56	-43.20
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792405	0	37	-1.0	-44.81	321.36	1.18	-43.63
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792406	0	34	-1.0	-47.21	317.07	4.74	-42.47
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010792407	0	36	-1.0	-45.69	338.25	5.52	-40.17
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300010792408	0	34	-1.0	-47.98	298.93	3.55	-44.43
C[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792409	0	27	-1.0	-40.12	282.37	3.46	-36.66
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792410	0	29	-1.0	-42.98	290.23	2.84	-40.14
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=C1	REAL300010792411	0	39	-1.0	-44.46	343.19	5.67	-38.79
C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010792412	0	39	-1.0	-49.06	358.35	1.19	-47.87
C[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010792413	0	25	-1.0	-41.12	260.87	3.25	-37.87
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300010792414	0	42	-1.0	-46.98	379.56	3.81	-43.17
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010792415	0	34	-1.0	-48.22	329.48	3.43	-44.79
C[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010792416	0	25	-1.0	-47.65	263.31	2.19	-45.46
C[C@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010792417	0	38	-1.0	-46.33	355.03	4.21	-42.12
C[C@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010792418	0	34	-1.0	-46.06	311.08	4.03	-42.03
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010792419	0	42	-1.0	-53.96	369.63	1.89	-52.07
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010792420	0	31	-1.0	-50.92	297.54	3.14	-47.78
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010792421	0	31	-1.0	-48.34	314.40	3.65	-44.69
C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300010792422	0	31	-1.0	-52.49	318.97	3.74	-48.75
CC1=CC(Br)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792424	0	25	-1.0	-41.53	265.03	2.47	-39.06
C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010792425	0	30	-1.0	-48.21	295.17	3.03	-45.18
CC1=C(Br)SC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300010792426	1	24	-1.0	-39.75	257.24	0.22	-39.53
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792427	0	30	-1.0	-39.13	282.08	3.71	-35.42
C[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010792428	0	29	-1.0	-43.50	285.41	1.04	-42.46
C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792429	0	33	-1.0	-50.65	297.13	4.07	-46.58
C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010792430	0	33	-1.0	-45.89	305.83	4.36	-41.53
CC1=NN2C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=NC2=C1Cl	REAL300010792431	0	30	-1.0	-44.25	290.22	1.97	-42.28
CCCCCCN1C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(=O)NC1=O	REAL300010792432	0	43	-1.0	-54.47	372.07	2.95	-51.52
C[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010792434	0	36	-1.0	-47.62	320.02	4.13	-43.49
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010792435	0	30	-1.0	-42.41	285.90	3.49	-38.92
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792436	0	31	-1.0	-47.09	284.30	3.80	-43.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300010792437	0	43	-1.0	-48.18	378.77	0.42	-47.76
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300010792438	0	40	-1.0	-48.37	357.40	-0.39	-48.76
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792439	1	40	-1.0	-52.91	354.25	-0.77	-53.68
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792440	0	39	-1.0	-46.18	354.58	0.63	-45.55
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br)C(=O)[O-]	REAL300010792441	0	29	-1.0	-41.27	296.69	2.75	-38.52
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010792442	0	39	-1.0	-50.23	338.72	3.38	-46.85
C[C@H](NS(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010792443	0	28	-1.0	-43.56	288.24	1.02	-42.54
C[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010792444	0	28	-1.0	-59.28	271.18	2.09	-57.19
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792445	0	28	-1.0	-43.90	272.01	3.62	-40.28
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792446	0	36	-1.0	-46.50	333.22	-0.17	-46.67
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=CC=C12	REAL300010792447	0	36	-1.0	-45.40	320.76	3.24	-42.16
C[C@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010792448	0	35	-1.0	-44.10	328.54	6.19	-37.91
C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792449	0	28	-1.0	-41.64	289.42	3.98	-37.66
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010792450	0	33	-1.0	-57.41	317.76	0.51	-56.90
C[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010792451	0	25	-1.0	-39.85	262.96	3.59	-36.26
C[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010792452	0	28	-1.0	-52.00	300.49	-0.74	-52.74
C[C@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010792453	0	44	-1.0	-49.25	388.31	3.18	-46.07
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792454	0	39	-1.0	-50.31	368.78	-0.17	-50.48
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010792455	0	34	-1.0	-54.42	322.96	1.81	-52.61
CC(=O)NC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792456	0	35	-1.0	-45.40	324.72	2.77	-42.63
CC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792457	0	30	-1.0	-42.44	291.90	3.28	-39.16
C[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010792458	0	36	-1.0	-46.15	338.39	1.13	-45.02
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300010792459	0	38	-1.0	-45.20	331.19	4.79	-40.41
C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010792460	0	29	-1.0	-46.83	291.08	3.67	-43.16
C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010792461	0	34	-1.0	-47.09	300.71	5.98	-41.11
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010792462	0	38	-1.0	-52.63	328.31	3.62	-49.01
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010792463	0	31	-1.0	-41.66	301.34	0.24	-41.42
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792464	0	34	-1.0	-43.10	315.74	3.82	-39.28
CCC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010792465	0	34	-1.0	-42.01	313.38	2.53	-39.48
C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010792466	0	42	-1.0	-59.12	349.35	4.10	-55.02
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792467	0	38	-1.0	-44.96	345.17	3.81	-41.15
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792468	0	29	-1.0	-46.15	287.38	2.60	-43.55
C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010792469	0	45	-1.0	-44.63	356.01	3.96	-40.67
C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010792470	0	42	-1.0	-56.37	364.52	4.52	-51.85
C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010792471	0	39	-1.0	-43.38	321.34	2.20	-41.18
C[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010792472	0	36	-1.0	-43.95	328.48	2.86	-41.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792473	0	31	-1.0	-43.93	294.27	2.87	-41.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010793001	0	40	-1.0	-42.11	342.04	6.52	-35.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010793002	0	38	-1.0	-40.48	319.80	4.54	-35.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010793003	0	52	-1.0	-44.31	389.49	8.04	-36.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010793004	0	50	-1.0	-43.16	386.20	7.91	-35.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010793005	0	37	-1.0	-40.11	325.32	5.16	-34.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010793006	0	44	-1.0	-44.61	347.06	6.58	-38.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010793007	0	42	-1.0	-44.48	327.91	3.20	-41.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010793008	0	42	-1.0	-45.81	343.06	3.29	-42.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010793009	0	44	-1.0	-43.30	383.82	3.75	-39.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010793010	0	41	-1.0	-46.88	332.94	6.06	-40.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010793011	0	41	-1.0	-46.05	358.96	2.26	-43.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010793012	0	42	-1.0	-46.28	341.81	6.55	-39.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010793013	0	34	-1.0	-42.41	286.91	3.90	-38.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010793014	0	44	-1.0	-58.28	358.14	3.90	-54.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010793015	0	31	-1.0	-49.97	310.72	4.26	-45.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010793016	0	49	-1.0	-44.33	390.87	7.65	-36.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010793017	0	40	-1.0	-45.93	322.11	6.30	-39.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010793018	0	44	-1.0	-45.96	360.76	7.58	-38.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010793019	0	37	-1.0	-38.04	332.98	5.56	-32.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300010793020	0	37	-1.0	-41.34	305.08	5.02	-36.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793021	0	34	-1.0	-39.71	324.25	5.86	-33.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010793022	0	49	-1.0	-44.42	377.02	6.94	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300010793023	0	37	-1.0	-41.24	319.79	5.20	-36.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010793024	0	34	-1.0	-38.16	305.58	4.34	-33.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010793025	0	37	-1.0	-47.01	299.49	4.43	-42.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010793026	1	34	-1.0	-39.48	307.61	4.52	-34.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010793027	0	37	-1.0	-41.56	319.57	4.84	-36.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010793028	0	34	-1.0	-39.72	307.27	4.46	-35.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010793029	0	34	-1.0	-38.44	290.71	3.88	-34.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010793030	0	35	-1.0	-50.55	290.17	2.79	-47.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300010793031	0	37	-1.0	-42.11	314.14	4.84	-37.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793032	0	37	-1.0	-41.59	331.72	5.21	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010793033	0	39	-1.0	-50.04	310.45	5.14	-44.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010793034	0	37	-1.0	-39.15	310.75	5.53	-33.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010793035	0	45	-1.0	-48.88	392.92	7.54	-41.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010793036	0	34	-1.0	-47.43	296.54	4.29	-43.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010793037	0	34	-1.0	-39.75	309.46	4.94	-34.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010793038	0	40	-1.0	-39.62	326.64	4.58	-35.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1F)C(=O)[O-]	REAL300010793039	0	37	-1.0	-47.28	301.92	4.50	-42.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300010793040	0	38	-1.0	-44.55	320.04	3.46	-41.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010793041	0	37	-1.0	-43.05	314.14	4.85	-38.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010793042	1	34	-1.0	-40.10	298.83	4.43	-35.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010793043	0	34	-1.0	-39.99	311.36	4.75	-35.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010793044	0	49	-1.0	-45.53	405.59	6.28	-39.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010793045	0	41	-1.0	-46.50	357.32	3.66	-42.84
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300010793046	0	45	-1.0	-41.63	337.89	4.50	-37.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010793047	0	50	-1.0	-48.63	396.60	7.41	-41.22
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010793048	0	38	-1.0	-44.73	330.62	5.22	-39.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010793049	0	37	-1.0	-44.75	326.26	5.94	-38.81
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010793050	0	37	-1.0	-40.70	341.67	5.81	-34.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010793051	0	44	-1.0	-48.65	356.53	5.84	-42.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010793052	0	41	-1.0	-42.80	334.92	1.54	-41.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010793053	0	42	-1.0	-47.98	349.23	1.53	-46.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010793054	0	39	-1.0	-39.45	327.94	5.66	-33.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010793055	0	41	-1.0	-60.33	334.13	2.65	-57.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010793056	0	39	-1.0	-43.22	321.86	5.46	-37.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010793057	0	34	-1.0	-50.43	302.53	3.96	-46.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300010793058	0	37	-1.0	-42.83	315.18	4.88	-37.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793059	0	40	-1.0	-43.42	358.87	5.31	-38.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010793060	0	33	-1.0	-41.67	301.51	2.77	-38.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010793061	0	43	-1.0	-54.77	371.62	2.36	-52.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010793062	0	41	-1.0	-48.36	346.37	3.09	-45.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010793063	0	48	-1.0	-58.25	375.95	5.66	-52.59
CC[C@H](C)[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010793064	0	39	-1.0	-48.47	333.35	0.14	-48.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010793065	0	44	-1.0	-44.48	345.30	4.91	-39.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010793066	0	34	-1.0	-40.50	310.47	4.96	-35.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010793067	0	45	-1.0	-43.25	370.72	3.65	-39.60
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010793068	0	37	-1.0	-39.62	326.88	5.39	-34.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010793069	0	34	-1.0	-41.18	323.56	5.23	-35.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300010793070	0	47	-1.0	-49.95	390.29	3.94	-46.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010793071	0	48	-1.0	-46.92	380.41	2.93	-43.99
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793072	0	42	-1.0	-41.83	344.89	6.53	-35.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300010793073	0	46	-1.0	-44.43	368.57	6.83	-37.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010793074	0	44	-1.0	-44.66	363.98	4.66	-40.00
CC[C@H](C)[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300010793075	0	46	-1.0	-42.04	357.45	1.29	-40.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300010793076	0	37	-1.0	-40.87	315.35	5.47	-35.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010793077	0	50	-1.0	-44.29	399.32	6.47	-37.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010793078	0	48	-1.0	-44.75	380.64	6.35	-38.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010793079	0	47	-1.0	-43.66	379.53	5.88	-37.78
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793080	0	44	-1.0	-44.31	360.26	5.17	-39.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010793081	0	38	-1.0	-45.43	332.93	4.00	-41.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010793082	0	38	-1.0	-43.76	339.62	4.22	-39.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300010793083	0	41	-1.0	-45.20	337.00	4.19	-41.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010793084	0	47	-1.0	-44.47	373.71	5.68	-38.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300010793085	0	41	-1.0	-43.85	328.61	4.28	-39.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010793086	0	45	-1.0	-45.07	371.55	3.65	-41.42
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010793087	0	37	-1.0	-46.97	315.06	4.86	-42.11
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793088	0	45	-1.0	-50.32	378.16	3.82	-46.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010793089	0	49	-1.0	-49.62	393.53	3.66	-45.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010793090	0	37	-1.0	-41.78	318.57	5.40	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010793091	0	40	-1.0	-60.86	360.98	2.22	-58.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793092	0	40	-1.0	-43.69	340.61	6.03	-37.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010793093	0	39	-1.0	-46.26	325.31	4.47	-41.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010793094	0	38	-1.0	-44.15	324.28	4.62	-39.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C)C(=O)[O-]	REAL300010793095	0	38	-1.0	-39.48	319.94	5.37	-34.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010793096	0	35	-1.0	-42.28	298.85	4.16	-38.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010793097	0	38	-1.0	-41.52	344.05	5.43	-36.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793098	0	44	-1.0	-47.05	366.41	4.80	-42.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010793099	0	43	-1.0	-44.64	358.20	5.35	-39.29
CC[C@H](C)[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-]	REAL300010793100	0	41	-1.0	-45.78	341.37	3.05	-42.73
CC[C@H](C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010793101	0	44	-1.0	-43.37	360.39	-0.15	-43.52
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300010793102	0	43	-1.0	-40.37	329.67	2.04	-38.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010793103	0	43	-1.0	-51.06	355.26	4.22	-46.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010793104	0	43	-1.0	-50.30	353.42	5.19	-45.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300010793105	0	43	-1.0	-48.71	345.89	4.05	-44.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300010793106	0	40	-1.0	-46.18	328.95	3.19	-42.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010793107	0	43	-1.0	-51.53	351.97	5.40	-46.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300010793108	0	40	-1.0	-52.45	332.86	4.53	-47.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300010793109	0	40	-1.0	-53.36	321.42	3.30	-50.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010793110	0	46	-1.0	-45.65	336.09	6.51	-39.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010793111	0	42	-1.0	-42.02	353.90	3.55	-38.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010793113	0	41	-1.0	-54.78	352.38	5.44	-49.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793114	0	40	-1.0	-48.97	342.69	4.53	-44.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010793115	0	38	-1.0	-51.81	344.94	4.50	-47.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010793116	0	44	-1.0	-44.77	378.29	6.19	-38.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793117	0	37	-1.0	-39.63	327.89	2.95	-36.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010793118	0	34	-1.0	-39.33	315.22	4.68	-34.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793119	0	38	-1.0	-47.76	327.73	2.44	-45.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010793120	0	35	-1.0	-37.58	320.55	4.89	-32.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010793121	0	42	-1.0	-48.56	332.08	6.88	-41.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010793122	0	40	-1.0	-59.60	355.72	5.35	-54.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010793123	0	43	-1.0	-45.64	360.42	2.52	-43.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010793124	0	38	-1.0	-40.19	328.35	5.92	-34.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010793125	0	35	-1.0	-41.56	323.67	4.95	-36.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010793126	0	50	-1.0	-48.71	398.38	5.89	-42.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010793127	0	45	-1.0	-55.08	375.47	4.12	-50.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010793128	0	46	-1.0	-49.39	396.43	2.00	-47.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300010793129	0	42	-1.0	-49.05	363.20	0.33	-48.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300010793130	0	44	-1.0	-49.96	383.51	3.07	-46.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010793131	0	37	-1.0	-45.03	323.88	2.91	-42.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010793132	0	40	-1.0	-45.73	344.48	3.61	-42.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300010793133	0	36	-1.0	-44.39	312.65	2.72	-41.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793134	1	36	-1.0	-47.85	309.03	5.76	-42.09
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010793135	0	37	-1.0	-39.93	343.21	5.85	-34.08
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C(C)N1	REAL300010793136	0	47	-1.0	-46.97	376.58	4.66	-42.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010793137	0	34	-1.0	-46.08	306.70	5.07	-41.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010793138	0	40	-1.0	-47.12	366.82	4.70	-42.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010793139	0	54	-1.0	-44.45	421.99	7.76	-36.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010793140	0	44	-1.0	-47.41	384.67	3.73	-43.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010793141	0	34	-1.0	-41.71	315.19	5.26	-36.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010793142	0	43	-1.0	-45.79	353.45	5.61	-40.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793143	0	36	-1.0	-43.61	315.03	6.01	-37.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010793144	0	42	-1.0	-46.71	339.05	3.00	-43.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010793145	0	45	-1.0	-44.13	354.78	4.09	-40.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793146	1	36	-1.0	-41.31	335.58	6.86	-34.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010793147	0	37	-1.0	-52.27	323.15	4.95	-47.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010793148	0	35	-1.0	-45.41	312.69	4.48	-40.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010793149	0	35	-1.0	-44.75	322.42	4.96	-39.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010793150	0	37	-1.0	-41.24	323.83	5.28	-35.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300010793151	0	37	-1.0	-42.52	304.65	5.02	-37.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010793152	0	40	-1.0	-52.68	346.80	2.93	-49.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010793153	0	40	-1.0	-44.67	342.55	6.91	-37.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010793154	0	39	-1.0	-39.45	335.89	6.22	-33.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010793155	0	34	-1.0	-41.91	320.65	4.47	-37.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010793156	0	38	-1.0	-45.83	328.84	5.33	-40.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793157	0	40	-1.0	-42.56	352.98	4.89	-37.67
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010793158	0	52	-1.0	-43.31	374.50	5.83	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010793159	0	42	-1.0	-50.58	329.36	5.64	-44.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010793160	0	45	-1.0	-45.25	364.60	2.70	-42.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010793161	0	37	-1.0	-45.47	323.00	5.43	-40.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010793162	0	40	-1.0	-46.61	341.36	5.77	-40.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010793163	0	42	-1.0	-44.30	345.47	1.90	-42.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010793164	0	40	-1.0	-41.66	339.86	4.83	-36.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010793165	0	40	-1.0	-40.65	337.41	5.95	-34.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300010793166	0	41	-1.0	-45.93	346.34	1.77	-44.16
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C2=CC=CC=C12	REAL300010793167	0	47	-1.0	-48.49	378.26	6.76	-41.73
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793168	0	44	-1.0	-44.14	336.18	5.60	-38.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010793169	0	39	-1.0	-52.04	332.68	4.26	-47.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010793170	0	41	-1.0	-48.87	347.98	5.26	-43.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793171	0	36	-1.0	-44.39	331.81	5.28	-39.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010793172	0	35	-1.0	-50.59	311.60	4.48	-46.11
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793173	0	48	-1.0	-45.19	393.40	4.62	-40.57
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793174	0	50	-1.0	-43.33	402.42	6.74	-36.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793175	0	36	-1.0	-46.31	315.96	6.25	-40.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793176	0	40	-1.0	-45.19	346.77	4.82	-40.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793177	0	40	-1.0	-38.76	361.46	5.61	-33.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010793178	0	44	-1.0	-44.24	352.20	4.87	-39.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010793179	0	37	-1.0	-43.89	335.47	3.82	-40.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010793180	0	46	-1.0	-46.65	371.17	6.02	-40.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793181	0	43	-1.0	-42.78	355.15	5.27	-37.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010793182	0	40	-1.0	-45.35	335.25	4.49	-40.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010793183	0	44	-1.0	-44.50	337.93	6.67	-37.83
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010793184	0	40	-1.0	-46.58	330.22	5.87	-40.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010793185	0	33	-1.0	-41.20	303.76	2.95	-38.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010793186	0	38	-1.0	-41.16	342.96	5.62	-35.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010793187	0	34	-1.0	-39.47	311.35	4.76	-34.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010793188	0	41	-1.0	-56.98	352.03	2.02	-54.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010793189	0	37	-1.0	-40.90	316.24	5.39	-35.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010793190	0	38	-1.0	-43.13	337.35	4.12	-39.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010793191	0	45	-1.0	-47.07	364.85	5.40	-41.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010793192	0	42	-1.0	-46.71	363.30	0.86	-45.85
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C1OC	REAL300010793193	0	51	-1.0	-51.35	418.33	3.31	-48.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010793194	0	38	-1.0	-44.86	334.27	4.17	-40.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010793195	0	43	-1.0	-54.91	366.51	2.51	-52.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010793196	0	36	-1.0	-42.42	335.69	4.06	-38.36
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010793197	0	39	-1.0	-64.65	342.97	5.20	-59.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010793198	0	35	-1.0	-38.21	326.31	5.09	-33.12
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1Br	REAL300010793199	0	41	-1.0	-45.13	359.19	5.04	-40.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010793200	0	39	-1.0	-42.24	338.09	-0.39	-42.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010793201	0	48	-1.0	-45.78	397.32	6.03	-39.75
CC[C@H](C)[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010793202	0	43	-1.0	-49.00	351.37	4.60	-44.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010793203	0	39	-1.0	-46.19	339.35	4.11	-42.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010793204	0	39	-1.0	-42.66	320.32	3.39	-39.27
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010793205	0	42	-1.0	-55.32	349.64	5.37	-49.95
CC[C@H](C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010793206	0	40	-1.0	-63.20	330.24	0.54	-62.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010793207	0	44	-1.0	-45.21	366.84	5.08	-40.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010793208	0	39	-1.0	-43.12	332.60	4.27	-38.85
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)=C1	REAL300010793209	0	44	-1.0	-42.52	346.39	5.10	-37.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300010793210	0	42	-1.0	-44.42	364.04	0.32	-44.10
CC[C@H](C)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010793211	0	36	-1.0	-56.58	313.47	-0.63	-57.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010793212	0	43	-1.0	-47.29	354.55	6.32	-40.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010793213	0	38	-1.0	-43.24	305.34	4.09	-39.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300010793214	0	38	-1.0	-44.25	327.61	5.17	-39.08
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793215	0	46	-1.0	-42.64	384.71	6.55	-36.09
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793216	0	40	-1.0	-41.79	344.32	5.75	-36.04
CC[C@H](C)[C@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010793217	0	45	-1.0	-42.62	354.06	5.89	-36.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010793218	0	33	-1.0	-48.30	313.01	3.26	-45.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010793219	0	40	-1.0	-47.88	329.55	3.78	-44.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010793220	0	39	-1.0	-45.41	317.72	4.44	-40.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010793221	0	37	-1.0	-40.81	319.98	5.58	-35.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010793222	0	42	-1.0	-43.92	347.23	3.33	-40.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010793223	0	50	-1.0	-47.98	402.54	5.08	-42.90
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1OCC	REAL300010793224	0	48	-1.0	-48.09	389.86	5.19	-42.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010793225	0	40	-1.0	-49.58	329.41	3.05	-46.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300010793226	0	40	-1.0	-45.90	323.78	3.21	-42.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010793227	0	39	-1.0	-50.24	341.65	-0.90	-51.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010793228	0	45	-1.0	-54.99	365.22	5.26	-49.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010793229	0	48	-1.0	-56.64	378.99	5.71	-50.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010793230	0	42	-1.0	-41.01	341.32	6.10	-34.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010793231	0	40	-1.0	-42.92	341.35	4.83	-38.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010793232	0	45	-1.0	-52.14	363.59	5.14	-47.00
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010793233	0	41	-1.0	-45.76	343.02	2.44	-43.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010793234	0	38	-1.0	-45.35	321.09	0.94	-44.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010793235	0	48	-1.0	-45.55	382.07	5.71	-39.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010793236	0	37	-1.0	-45.43	320.29	4.41	-41.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010793237	0	37	-1.0	-42.88	335.29	3.91	-38.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793238	0	38	-1.0	-38.94	344.07	5.33	-33.61
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793239	0	40	-1.0	-51.30	337.20	2.65	-48.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010793240	0	40	-1.0	-45.09	343.97	1.15	-43.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010793241	0	40	-1.0	-45.83	338.16	1.38	-44.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010793242	0	40	-1.0	-54.68	351.48	1.92	-52.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010793243	0	42	-1.0	-50.48	331.71	5.84	-44.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793244	0	40	-1.0	-49.53	334.29	4.94	-44.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010793245	0	38	-1.0	-40.71	315.15	4.43	-36.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010793246	0	38	-1.0	-42.70	312.08	4.32	-38.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010793247	0	39	-1.0	-51.26	338.59	-0.96	-52.22
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793248	0	40	-1.0	-45.06	339.20	4.77	-40.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010793249	0	46	-1.0	-50.65	393.37	1.94	-48.71
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010793250	0	39	-1.0	-38.70	333.81	5.43	-33.27
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010793251	0	37	-1.0	-39.63	312.00	4.83	-34.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Cl)C(=O)[O-]	REAL300010793252	0	37	-1.0	-42.28	315.66	5.24	-37.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010793253	0	40	-1.0	-48.43	342.91	0.54	-47.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010793254	0	40	-1.0	-53.70	347.28	1.68	-52.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010793255	0	41	-1.0	-43.31	350.17	3.37	-39.94
CC[C@H](C)[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010793256	0	42	-1.0	-45.42	353.28	5.69	-39.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C)C(=O)[O-]	REAL300010793257	0	37	-1.0	-40.19	305.52	5.05	-35.14
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010793258	0	43	-1.0	-42.96	342.84	5.46	-37.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010793259	0	42	-1.0	-48.10	343.41	5.43	-42.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010793260	0	40	-1.0	-44.07	340.70	4.12	-39.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010793261	0	39	-1.0	-45.61	335.24	5.65	-39.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793262	0	42	-1.0	-50.43	342.21	6.89	-43.54
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1	REAL300010793263	0	48	-1.0	-46.84	381.99	4.87	-41.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010793264	0	38	-1.0	-41.32	333.40	3.95	-37.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010793265	0	45	-1.0	-51.48	379.95	2.09	-49.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010793266	0	34	-1.0	-40.11	306.67	4.78	-35.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793267	0	36	-1.0	-43.89	317.11	6.08	-37.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010793268	0	46	-1.0	-54.20	370.28	3.44	-50.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010793269	0	44	-1.0	-46.68	350.65	7.93	-38.75
CC[C@H](C)[C@H](NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300010793270	0	45	-1.0	-42.60	342.54	4.73	-37.87
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793271	0	43	-1.0	-46.39	364.06	5.74	-40.65
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300010793272	0	48	-1.0	-40.35	375.21	3.89	-36.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010793273	0	34	-1.0	-40.59	303.31	4.67	-35.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010793274	0	34	-1.0	-40.60	307.88	4.78	-35.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010793275	0	36	-1.0	-40.64	315.64	4.82	-35.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010793276	0	40	-1.0	-48.02	333.34	6.42	-41.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010793277	0	41	-1.0	-48.42	342.65	3.04	-45.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010793278	0	39	-1.0	-41.81	326.93	5.62	-36.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010793279	0	38	-1.0	-43.85	316.07	3.45	-40.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793280	0	36	-1.0	-49.76	304.76	5.61	-44.15
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793281	0	41	-1.0	-40.25	336.02	5.56	-34.69
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793282	0	41	-1.0	-44.50	338.76	4.37	-40.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010793283	0	34	-1.0	-44.06	286.77	3.86	-40.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010793284	0	34	-1.0	-40.57	300.24	4.28	-36.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010793285	0	40	-1.0	-45.79	328.84	3.24	-42.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300010793286	0	43	-1.0	-44.91	335.04	6.36	-38.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010793287	0	49	-1.0	-42.56	372.23	7.22	-35.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010793288	0	34	-1.0	-41.19	319.35	5.12	-36.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010793289	0	34	-1.0	-42.19	300.14	4.27	-37.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010793290	0	34	-1.0	-53.16	317.72	5.22	-47.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793291	0	37	-1.0	-40.14	323.14	5.11	-35.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010793292	0	37	-1.0	-43.65	307.03	5.56	-38.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793293	0	37	-1.0	-39.65	336.24	5.51	-34.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010793294	0	34	-1.0	-42.05	304.14	4.67	-37.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010793295	0	37	-1.0	-53.47	340.06	5.72	-47.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010793296	0	39	-1.0	-44.84	327.88	4.55	-40.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010793297	0	34	-1.0	-39.48	306.94	4.65	-34.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300010793298	0	39	-1.0	-48.01	324.82	4.47	-43.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010793299	0	43	-1.0	-48.97	363.81	3.22	-45.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010793300	0	33	-1.0	-39.08	313.67	3.24	-35.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010793301	0	37	-1.0	-50.60	316.36	4.54	-46.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010793302	0	38	-1.0	-56.71	330.47	4.00	-52.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010793303	0	43	-1.0	-50.75	372.07	6.56	-44.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010793304	0	43	-1.0	-48.06	364.37	5.59	-42.47
CC[C@H](C)[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010793305	0	41	-1.0	-56.05	331.74	5.94	-50.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010793306	0	44	-1.0	-48.69	369.39	5.94	-42.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010793307	0	45	-1.0	-62.80	366.24	5.18	-57.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010793308	0	35	-1.0	-49.19	321.09	4.85	-44.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300010793309	0	38	-1.0	-40.74	319.49	5.34	-35.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010793310	0	48	-1.0	-52.23	387.78	3.49	-48.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010793311	0	42	-1.0	-43.39	358.12	5.21	-38.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010793312	0	39	-1.0	-40.91	331.64	5.33	-35.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010793313	0	37	-1.0	-45.64	324.22	2.85	-42.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010793314	0	45	-1.0	-54.79	375.16	4.92	-49.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010793315	0	36	-1.0	-46.97	319.43	3.63	-43.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010793316	0	44	-1.0	-56.39	365.66	4.80	-51.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300010793317	0	35	-1.0	-61.56	307.48	2.31	-59.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010793318	0	44	-1.0	-58.04	362.04	3.96	-54.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010793319	0	46	-1.0	-47.23	361.62	4.70	-42.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010793320	0	36	-1.0	-41.44	317.24	3.37	-38.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010793321	0	40	-1.0	-43.71	337.96	3.22	-40.49
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010793322	0	43	-1.0	-45.31	360.39	5.79	-39.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300010793323	0	38	-1.0	-50.78	325.45	4.93	-45.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010793324	0	42	-1.0	-48.99	346.40	2.75	-46.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010793325	0	40	-1.0	-52.01	334.86	5.50	-46.51
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1CC	REAL300010793326	0	46	-1.0	-44.07	361.34	6.65	-37.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010793327	0	42	-1.0	-40.03	341.50	6.38	-33.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793328	0	40	-1.0	-44.12	345.03	3.69	-40.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010793329	0	35	-1.0	-40.16	304.40	1.66	-38.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010793330	0	36	-1.0	-46.08	313.53	2.79	-43.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010793331	0	40	-1.0	-41.96	333.62	5.49	-36.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010793332	0	42	-1.0	-51.83	347.01	2.60	-49.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793333	0	41	-1.0	-47.91	348.59	4.25	-43.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010793334	0	34	-1.0	-40.02	310.50	4.73	-35.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010793335	0	33	-1.0	-41.33	299.19	2.84	-38.49
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010793336	0	45	-1.0	-44.28	369.86	5.99	-38.29
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010793337	0	37	-1.0	-39.80	330.73	5.38	-34.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010793338	0	39	-1.0	-45.95	328.54	0.31	-45.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010793339	0	37	-1.0	-38.86	311.78	5.37	-33.49
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793340	0	45	-1.0	-45.45	363.04	4.90	-40.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010793341	0	42	-1.0	-47.23	351.30	1.80	-45.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010793342	0	44	-1.0	-44.84	343.07	4.99	-39.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010793343	0	42	-1.0	-58.79	360.62	3.86	-54.93
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010793344	0	43	-1.0	-43.77	364.56	5.50	-38.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010793345	0	45	-1.0	-44.87	362.08	4.30	-40.57
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793346	0	43	-1.0	-47.49	360.41	5.42	-42.07
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)O1	REAL300010793347	0	40	-1.0	-47.35	348.83	3.87	-43.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010793348	0	45	-1.0	-47.79	370.81	8.27	-39.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010793349	0	44	-1.0	-47.53	373.26	5.07	-42.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010793350	0	47	-1.0	-47.15	393.39	5.23	-41.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010793351	0	44	-1.0	-44.17	349.09	5.04	-39.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010793352	0	38	-1.0	-47.38	324.95	4.53	-42.85
CCOC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793353	0	42	-1.0	-42.84	348.66	4.32	-38.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010793354	0	37	-1.0	-42.62	320.36	6.15	-36.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793355	0	36	-1.0	-43.58	319.59	6.11	-37.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793356	0	39	-1.0	-47.13	315.19	6.41	-40.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010793357	0	36	-1.0	-37.17	325.38	5.40	-31.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010793358	0	31	-1.0	-55.19	297.78	3.61	-51.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010793359	0	38	-1.0	-43.00	321.73	4.46	-38.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010793360	0	42	-1.0	-47.56	332.00	5.35	-42.21
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010793361	0	36	-1.0	-39.98	319.84	3.47	-36.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010793362	0	42	-1.0	-48.43	340.16	2.98	-45.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010793363	0	39	-1.0	-49.21	324.02	4.71	-44.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010793364	0	33	-1.0	-47.78	315.84	3.41	-44.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010793365	0	36	-1.0	-42.01	306.30	4.43	-37.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010793366	0	36	-1.0	-37.90	328.75	5.22	-32.68
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793367	0	43	-1.0	-52.79	362.82	2.84	-49.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793368	0	39	-1.0	-55.51	338.39	5.00	-50.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793369	0	36	-1.0	-48.30	316.33	5.88	-42.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793370	0	36	-1.0	-40.12	321.21	4.89	-35.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010793371	0	41	-1.0	-43.35	358.33	4.83	-38.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793372	0	36	-1.0	-44.81	326.14	6.26	-38.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010793373	0	48	-1.0	-44.97	397.83	7.43	-37.54
CC[C@H](C)[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010793374	0	49	-1.0	-49.41	358.71	6.50	-42.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010793375	0	42	-1.0	-48.27	357.58	0.42	-47.85
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793376	0	42	-1.0	-49.54	350.51	5.41	-44.13
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300010793377	0	47	-1.0	-38.78	357.91	2.51	-36.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010793378	0	43	-1.0	-46.16	362.49	5.30	-40.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010793379	0	44	-1.0	-47.61	372.57	5.72	-41.89
CC[C@H](C)[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010793380	0	56	-1.0	-42.39	420.35	6.99	-35.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010793381	0	42	-1.0	-50.20	360.15	0.86	-49.34
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010793382	0	37	-1.0	-42.03	312.00	4.83	-37.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010793383	0	40	-1.0	-43.95	349.44	1.63	-42.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010793384	0	37	-1.0	-44.21	307.07	4.49	-39.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010793385	0	41	-1.0	-41.65	337.19	5.43	-36.22
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010793386	0	46	-1.0	-46.48	377.31	5.70	-40.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010793387	0	44	-1.0	-46.74	368.93	6.12	-40.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010793388	0	41	-1.0	-44.41	362.82	3.12	-41.29
CC[C@H](C)[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010793389	0	41	-1.0	-47.82	349.84	-1.14	-48.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010793390	0	37	-1.0	-43.32	307.16	4.53	-38.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010793391	0	39	-1.0	-54.26	346.11	5.96	-48.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010793392	0	40	-1.0	-48.59	337.82	5.72	-42.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010793393	0	31	-1.0	-49.83	315.35	4.36	-45.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010793394	0	46	-1.0	-48.04	381.10	6.13	-41.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010793395	0	34	-1.0	-49.62	286.80	3.88	-45.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010793396	0	34	-1.0	-42.77	301.65	4.42	-38.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793397	0	40	-1.0	-42.34	341.82	5.67	-36.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010793398	0	40	-1.0	-45.82	346.34	5.27	-40.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010793399	0	42	-1.0	-45.24	350.66	3.82	-41.42
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010793400	0	41	-1.0	-45.19	350.50	4.63	-40.56
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010793401	0	37	-1.0	-42.05	332.20	5.42	-36.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010793402	0	38	-1.0	-46.98	326.35	1.13	-45.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010793403	0	43	-1.0	-44.11	368.13	7.00	-37.11
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010793404	0	36	-1.0	-39.98	319.84	3.47	-36.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010793405	0	36	-1.0	-39.86	332.29	5.56	-34.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793406	0	40	-1.0	-43.70	330.34	5.58	-38.12
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010793407	0	37	-1.0	-45.62	323.23	5.28	-40.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010793408	0	46	-1.0	-61.24	384.01	2.65	-58.59
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010793409	0	41	-1.0	-40.71	355.75	4.63	-36.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010793410	0	34	-1.0	-52.97	322.29	5.32	-47.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010793411	0	42	-1.0	-42.58	357.10	1.56	-41.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C1F	REAL300010793412	0	43	-1.0	-45.38	368.63	5.75	-39.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010793413	0	42	-1.0	-49.51	347.48	4.81	-44.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010793414	0	37	-1.0	-43.30	342.25	6.11	-37.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010793415	0	40	-1.0	-43.44	348.36	6.91	-36.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010793416	0	37	-1.0	-45.76	341.56	6.00	-39.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010793417	0	40	-1.0	-47.80	333.59	6.97	-40.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010793418	0	40	-1.0	-47.45	344.76	6.99	-40.46
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C2O1	REAL300010793419	0	48	-1.0	-49.25	400.08	6.40	-42.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010793420	0	40	-1.0	-50.93	349.44	1.63	-49.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010793421	0	47	-1.0	-48.27	394.00	5.73	-42.54
CC[C@H](C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010793422	0	45	-1.0	-46.60	385.99	1.18	-45.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010793423	1	35	-1.0	-39.64	313.17	4.75	-34.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010793424	0	45	-1.0	-43.24	358.95	4.74	-38.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010793425	0	34	-1.0	-42.65	302.39	3.09	-39.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010793426	0	39	-1.0	-38.02	334.61	5.74	-32.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010793427	0	34	-1.0	-54.14	302.06	3.46	-50.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010793428	0	37	-1.0	-56.11	330.93	4.84	-51.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010793429	0	40	-1.0	-43.47	341.02	6.00	-37.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793430	0	46	-1.0	-46.95	362.97	4.61	-42.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010793431	0	39	-1.0	-44.43	322.51	4.01	-40.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010793432	0	40	-1.0	-57.52	348.13	1.67	-55.85
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300010793433	0	48	-1.0	-42.14	382.03	4.91	-37.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010793434	0	42	-1.0	-50.09	332.00	5.79	-44.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010793435	0	37	-1.0	-59.71	311.24	3.23	-56.48
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793436	0	44	-1.0	-48.11	363.24	3.86	-44.25
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010793437	0	37	-1.0	-44.75	331.70	5.37	-39.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793438	0	35	-1.0	-51.68	300.20	4.89	-46.79
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793439	0	43	-1.0	-51.46	350.39	5.85	-45.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010793440	0	34	-1.0	-53.21	306.67	4.77	-48.44
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793441	0	53	-1.0	-54.25	413.73	7.98	-46.27
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010793442	0	37	-1.0	-45.55	332.66	5.65	-39.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010793443	0	41	-1.0	-54.23	350.78	3.36	-50.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010793444	0	42	-1.0	-44.34	341.24	4.70	-39.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010793445	0	38	-1.0	-52.46	345.76	4.56	-47.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010793446	0	46	-1.0	-41.76	368.03	2.96	-38.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793447	0	37	-1.0	-47.76	334.67	3.83	-43.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793448	0	43	-1.0	-43.07	362.89	6.53	-36.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010793449	0	45	-1.0	-44.48	392.00	7.51	-36.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010793450	0	43	-1.0	-46.33	349.38	5.52	-40.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793451	0	36	-1.0	-41.32	336.93	5.44	-35.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010793452	0	38	-1.0	-42.77	341.91	4.80	-37.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010793453	0	46	-1.0	-49.46	366.50	4.76	-44.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793454	0	36	-1.0	-41.14	312.63	4.78	-36.36
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010793455	0	48	-1.0	-45.89	397.52	7.67	-38.22
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010793456	0	41	-1.0	-44.63	320.66	4.79	-39.84
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010793457	0	38	-1.0	-40.18	326.44	5.16	-35.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010793458	0	37	-1.0	-46.37	319.16	1.66	-44.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010793459	0	42	-1.0	-44.00	349.42	4.58	-39.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010793460	0	34	-1.0	-40.42	314.36	5.26	-35.16
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010793461	0	45	-1.0	-42.06	360.20	4.02	-38.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010793462	0	44	-1.0	-46.55	361.00	5.03	-41.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793463	0	43	-1.0	-46.70	382.68	5.37	-41.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010793464	0	41	-1.0	-43.50	339.48	3.83	-39.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010793465	0	34	-1.0	-51.41	318.81	4.22	-47.19
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010793466	0	43	-1.0	-42.84	363.09	5.97	-36.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010793467	0	40	-1.0	-48.97	340.04	5.17	-43.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010793468	0	40	-1.0	-48.46	364.48	5.37	-43.09
CC[C@H](C)[C@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010793469	0	37	-1.0	-45.40	324.94	2.31	-43.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010793470	0	39	-1.0	-48.07	331.07	1.81	-46.26
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793471	0	46	-1.0	-41.03	337.03	7.04	-33.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010793473	0	34	-1.0	-55.06	319.66	4.42	-50.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010793474	0	39	-1.0	-50.05	335.84	4.58	-45.47
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300010793475	0	43	-1.0	-43.76	344.01	5.97	-37.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010793476	1	33	-1.0	-39.82	315.75	2.38	-37.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010793477	0	39	-1.0	-38.09	326.68	5.40	-32.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010793478	0	38	-1.0	-43.06	337.10	2.96	-40.10
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793479	0	39	-1.0	-52.72	330.44	6.03	-46.69
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793480	0	42	-1.0	-51.36	346.64	5.95	-45.41
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010793481	0	42	-1.0	-43.64	359.47	6.29	-37.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010793482	0	39	-1.0	-45.96	343.83	3.88	-42.08
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793483	0	40	-1.0	-53.50	329.22	5.41	-48.09
CCCCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(=O)NC1=O	REAL300010793484	0	52	-1.0	-53.95	413.58	5.08	-48.87
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010793486	0	37	-1.0	-48.45	316.23	4.82	-43.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010793487	0	45	-1.0	-47.89	373.42	6.07	-41.82
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010793488	0	38	-1.0	-45.69	335.81	5.25	-40.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793489	0	39	-1.0	-40.73	340.46	5.47	-35.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010793490	0	40	-1.0	-43.33	330.71	5.56	-37.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010793491	0	48	-1.0	-49.08	390.21	5.30	-43.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010793492	0	37	-1.0	-62.04	324.66	4.02	-58.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010793493	0	37	-1.0	-44.77	326.21	5.53	-39.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010793494	0	37	-1.0	-55.07	322.40	5.36	-49.71
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010793495	0	37	-1.0	-42.04	317.32	4.86	-37.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010793496	0	45	-1.0	-47.60	387.85	1.81	-45.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010793497	0	33	-1.0	-44.79	302.98	3.47	-41.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010793498	0	45	-1.0	-44.54	368.26	5.01	-39.53
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010793499	0	37	-1.0	-42.01	343.19	5.91	-36.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010793500	0	42	-1.0	-47.73	346.21	2.15	-45.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793501	0	33	-1.0	-48.77	313.11	3.31	-45.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300010793502	0	40	-1.0	-53.78	323.21	4.64	-49.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010793503	0	39	-1.0	-42.25	335.07	2.93	-39.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010793504	0	37	-1.0	-59.42	356.53	1.22	-58.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010793505	0	42	-1.0	-45.60	340.29	4.78	-40.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010793506	0	44	-1.0	-45.60	356.69	4.99	-40.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300010793507	0	37	-1.0	-45.24	319.66	4.51	-40.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010793508	0	41	-1.0	-44.86	342.49	3.88	-40.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010793509	0	43	-1.0	-47.54	375.22	4.06	-43.48
CC[C@H](C)[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010793510	0	45	-1.0	-59.41	363.30	11.06	-48.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010793511	0	37	-1.0	-55.25	319.73	5.27	-49.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010793512	0	39	-1.0	-42.14	344.21	5.16	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010793513	0	45	-1.0	-45.18	392.11	3.11	-42.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010793514	0	47	-1.0	-45.80	382.68	6.72	-39.08
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010793515	0	38	-1.0	-44.63	344.85	5.59	-39.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010793516	0	43	-1.0	-45.15	350.53	7.87	-37.28
CC[C@H](C)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010793517	0	43	-1.0	-43.62	333.63	2.37	-41.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010793518	0	37	-1.0	-45.53	313.46	2.81	-42.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010793519	0	42	-1.0	-53.97	340.24	5.98	-47.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010793520	0	40	-1.0	-48.85	331.44	6.06	-42.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010793521	0	47	-1.0	-54.83	374.19	5.30	-49.53
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010793522	0	46	-1.0	-42.15	359.67	1.09	-41.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010793523	0	40	-1.0	-42.21	356.02	2.23	-39.98
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793524	0	43	-1.0	-43.60	370.41	5.80	-37.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010793525	0	41	-1.0	-42.92	326.09	4.07	-38.85
CCC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C(C(=O)OC)O1	REAL300010793526	0	43	-1.0	-44.04	365.54	4.48	-39.56
CC[C@H](C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010793527	0	51	-1.0	-61.64	400.37	5.95	-55.69
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793528	0	47	-1.0	-45.73	397.14	5.77	-39.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010793529	0	35	-1.0	-38.18	314.98	4.96	-33.22
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010793530	0	38	-1.0	-38.10	324.66	4.91	-33.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010793531	0	41	-1.0	-57.64	327.67	4.67	-52.97
CC[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010793532	0	39	-1.0	-46.72	333.10	4.17	-42.55
CC[C@H](C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010793533	0	54	-1.0	-66.07	407.30	5.73	-60.34
CC[C@H](C)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010793534	0	48	-1.0	-38.83	370.09	4.10	-34.73
CC[C@H](C)[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010793535	0	45	-1.0	-39.24	379.42	4.71	-34.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300010793536	0	37	-1.0	-48.04	300.83	4.47	-43.57
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=N1	REAL300010793537	0	40	-1.0	-44.94	336.45	1.77	-43.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010793538	0	36	-1.0	-41.05	319.83	3.42	-37.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010793539	1	36	-1.0	-47.95	326.78	1.93	-46.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793540	0	40	-1.0	-42.12	345.38	4.81	-37.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794001	0	46	-1.0	-49.51	390.05	5.73	-43.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010794002	0	47	-1.0	-45.09	382.66	4.76	-40.33
CC[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010794003	0	43	-1.0	-46.95	343.96	4.76	-42.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010794004	0	34	-1.0	-41.26	293.45	4.09	-37.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010794005	0	39	-1.0	-46.71	331.94	3.51	-43.20
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010794006	0	40	-1.0	-41.42	333.50	5.61	-35.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010794007	0	50	-1.0	-49.39	405.41	7.06	-42.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010794008	0	39	-1.0	-51.70	324.42	4.68	-47.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010794009	0	54	-1.0	-56.36	410.88	6.52	-49.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010794010	0	41	-1.0	-47.15	345.93	4.36	-42.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010794011	0	32	-1.0	-45.59	279.49	2.85	-42.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010794012	0	48	-1.0	-43.87	382.98	4.22	-39.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010794013	0	49	-1.0	-57.42	395.02	6.74	-50.68
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C21	REAL300010794014	0	48	-1.0	-61.62	387.41	6.10	-55.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300010794015	0	37	-1.0	-45.92	296.18	1.23	-44.69
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300010794016	0	45	-1.0	-42.15	344.51	4.63	-37.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010794018	0	41	-1.0	-47.56	336.49	3.84	-43.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010794019	0	41	-1.0	-45.94	332.65	4.13	-41.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010794020	0	44	-1.0	-43.97	349.72	4.90	-39.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010794021	0	46	-1.0	-47.49	377.75	6.99	-40.50
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794022	0	47	-1.0	-43.98	369.18	5.59	-38.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010794023	0	44	-1.0	-48.83	358.69	4.89	-43.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010794024	0	45	-1.0	-45.19	346.33	2.46	-42.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010794025	0	40	-1.0	-46.83	353.43	5.07	-41.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010794026	0	40	-1.0	-42.59	335.07	1.31	-41.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010794027	1	31	-1.0	-43.10	285.41	3.17	-39.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010794028	0	41	-1.0	-47.80	326.71	4.09	-43.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010794029	0	38	-1.0	-41.78	332.46	3.70	-38.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010794030	0	38	-1.0	-42.68	316.28	3.22	-39.46
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(C)C	REAL300010794031	0	59	-1.0	-45.11	461.88	8.76	-36.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010794032	0	50	-1.0	-45.01	385.88	6.15	-38.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010794033	0	44	-1.0	-42.68	347.23	5.61	-37.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300010794034	0	37	-1.0	-41.72	305.98	4.74	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010794035	0	42	-1.0	-49.23	343.56	4.71	-44.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010794036	0	42	-1.0	-44.81	356.10	3.82	-40.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010794037	0	42	-1.0	-48.73	352.57	6.30	-42.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010794038	0	38	-1.0	-46.38	323.51	4.79	-41.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010794039	0	37	-1.0	-41.76	326.10	5.42	-36.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010794040	0	37	-1.0	-43.33	331.75	6.17	-37.16
CCC1=CN=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794041	0	39	-1.0	-45.56	325.34	3.77	-41.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794042	0	39	-1.0	-44.77	338.35	3.00	-41.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010794043	0	51	-1.0	-63.35	395.49	6.11	-57.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010794044	0	40	-1.0	-48.54	337.64	4.67	-43.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010794045	0	48	-1.0	-46.53	384.56	5.64	-40.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010794046	0	31	-1.0	-43.50	293.82	3.55	-39.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010794047	0	34	-1.0	-42.51	308.54	2.28	-40.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794048	0	36	-1.0	-40.31	320.48	3.32	-36.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300010794049	0	39	-1.0	-55.52	326.10	3.68	-51.84
CC[C@H](C)[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010794050	0	43	-1.0	-42.06	330.73	4.09	-37.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010794051	0	38	-1.0	-45.68	326.57	4.18	-41.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010794052	0	35	-1.0	-40.42	302.30	2.94	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010794053	0	37	-1.0	-53.45	327.77	3.73	-49.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010794054	0	37	-1.0	-47.42	325.45	5.60	-41.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010794055	0	41	-1.0	-44.83	336.29	3.79	-41.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010794056	0	43	-1.0	-44.03	339.97	6.41	-37.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010794057	0	42	-1.0	-49.45	343.68	3.97	-45.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010794058	0	43	-1.0	-46.75	355.72	1.38	-45.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010794059	0	35	-1.0	-41.46	327.95	5.04	-36.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010794060	0	37	-1.0	-45.72	302.12	3.88	-41.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010794061	0	42	-1.0	-51.10	345.92	4.47	-46.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010794062	1	37	-1.0	-43.20	342.99	3.49	-39.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010794063	0	47	-1.0	-47.10	372.11	5.00	-42.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010794064	0	38	-1.0	-45.17	336.68	6.02	-39.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010794065	0	41	-1.0	-47.81	343.63	4.00	-43.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010794067	0	38	-1.0	-47.42	326.65	3.73	-43.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010794068	0	38	-1.0	-47.20	327.13	4.17	-43.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010794069	0	37	-1.0	-48.44	315.65	3.36	-45.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010794070	0	39	-1.0	-57.33	318.25	2.69	-54.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010794071	0	37	-1.0	-45.72	302.12	3.88	-41.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010794073	0	40	-1.0	-41.73	338.68	6.16	-35.57
CC[C@H](C)[C@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010794074	0	45	-1.0	-42.35	341.22	4.56	-37.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010794075	0	40	-1.0	-41.46	355.31	5.26	-36.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010794076	0	37	-1.0	-45.62	321.12	4.54	-41.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010794077	0	44	-1.0	-47.20	357.95	4.49	-42.71
CC[C@H](C)[C@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010794078	0	42	-1.0	-43.36	344.42	4.05	-39.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010794079	0	52	-1.0	-44.70	396.67	8.02	-36.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010794080	0	40	-1.0	-41.42	358.62	6.02	-35.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010794081	0	31	-1.0	-52.13	292.98	3.66	-48.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010794082	0	44	-1.0	-47.45	361.39	4.79	-42.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010794083	0	38	-1.0	-45.44	324.16	5.34	-40.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010794084	0	45	-1.0	-41.22	364.00	6.75	-34.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010794085	0	47	-1.0	-50.47	376.38	2.56	-47.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010794086	0	43	-1.0	-57.90	351.19	5.45	-52.45
CCCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794087	0	43	-1.0	-42.89	348.80	6.32	-36.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010794088	0	40	-1.0	-47.17	342.87	2.50	-44.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010794089	0	35	-1.0	-44.93	312.11	4.51	-40.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010794090	0	41	-1.0	-47.78	331.72	3.70	-44.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794091	0	38	-1.0	-38.27	343.03	5.50	-32.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010794092	0	46	-1.0	-45.48	385.01	7.00	-38.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010794093	0	43	-1.0	-44.38	334.00	3.87	-40.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010794094	0	43	-1.0	-46.09	351.09	3.86	-42.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010794095	0	41	-1.0	-45.00	335.49	3.20	-41.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010794096	0	39	-1.0	-40.95	337.51	3.97	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794097	0	37	-1.0	-39.89	332.83	5.22	-34.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010794098	0	37	-1.0	-43.74	315.40	4.97	-38.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010794099	0	34	-1.0	-41.17	303.05	4.52	-36.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794100	0	34	-1.0	-39.35	319.16	4.25	-35.10
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010794101	0	39	-1.0	-51.83	315.67	3.34	-48.49
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010794102	0	44	-1.0	-47.14	368.79	3.17	-43.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010794103	0	31	-1.0	-43.63	290.97	2.89	-40.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010794104	0	37	-1.0	-39.23	339.33	5.57	-33.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010794105	0	37	-1.0	-45.61	303.10	5.48	-40.13
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794106	0	45	-1.0	-47.75	368.99	6.15	-41.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010794107	0	45	-1.0	-43.60	348.01	6.96	-36.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010794108	0	44	-1.0	-47.00	366.82	5.86	-41.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010794109	0	40	-1.0	-43.23	349.53	5.16	-38.07
CC[C@H](C)[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010794110	0	40	-1.0	-44.85	328.23	4.60	-40.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010794111	0	39	-1.0	-38.75	325.31	4.80	-33.95
CC[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010794112	0	41	-1.0	-46.39	334.90	2.40	-43.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010794113	0	34	-1.0	-52.97	322.29	5.32	-47.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010794114	0	34	-1.0	-41.94	301.40	4.37	-37.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010794115	0	41	-1.0	-44.34	335.83	6.26	-38.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300010794116	0	35	-1.0	-42.06	295.87	2.87	-39.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794117	0	37	-1.0	-41.31	313.99	5.60	-35.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010794118	0	40	-1.0	-43.02	352.42	4.47	-38.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010794119	0	41	-1.0	-46.90	327.31	5.86	-41.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010794120	0	44	-1.0	-44.54	351.43	4.76	-39.78
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794121	0	43	-1.0	-44.82	347.38	4.05	-40.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010794122	0	43	-1.0	-49.57	358.63	1.66	-47.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010794123	0	37	-1.0	-53.45	341.36	0.64	-52.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010794124	0	43	-1.0	-49.57	358.63	1.66	-47.91
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010794125	0	35	-1.0	-46.26	308.21	4.44	-41.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794126	0	37	-1.0	-43.65	307.03	5.56	-38.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010794127	0	46	-1.0	-50.44	370.00	7.74	-42.70
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010794128	0	48	-1.0	-43.31	355.53	5.05	-38.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010794129	0	34	-1.0	-44.73	311.28	3.38	-41.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010794130	0	38	-1.0	-38.20	312.14	4.23	-33.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010794131	0	48	-1.0	-46.49	380.14	3.16	-43.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010794132	0	40	-1.0	-45.46	340.62	5.68	-39.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010794133	0	38	-1.0	-44.79	323.66	3.70	-41.09
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010794134	0	49	-1.0	-39.31	364.25	6.27	-33.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300010794135	0	35	-1.0	-42.19	308.15	2.55	-39.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010794136	0	45	-1.0	-53.14	354.95	6.45	-46.69
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010794137	0	42	-1.0	-39.80	342.95	4.27	-35.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010794138	0	37	-1.0	-42.61	319.26	2.85	-39.76
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794139	0	44	-1.0	-43.54	361.33	4.80	-38.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794140	0	43	-1.0	-44.79	361.32	6.21	-38.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010794141	0	44	-1.0	-49.06	367.09	5.34	-43.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010794142	0	47	-1.0	-46.20	370.72	5.04	-41.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010794143	0	45	-1.0	-44.99	375.27	7.00	-37.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010794144	0	37	-1.0	-42.51	305.04	5.17	-37.34
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794145	0	46	-1.0	-45.43	374.99	6.84	-38.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010794146	0	40	-1.0	-42.31	344.28	5.90	-36.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010794147	0	39	-1.0	-47.97	346.77	5.58	-42.39
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010794148	0	33	-1.0	-46.88	309.99	2.37	-44.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010794149	0	35	-1.0	-49.95	300.83	4.19	-45.76
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010794150	0	38	-1.0	-41.04	324.95	3.60	-37.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010794151	1	35	-1.0	-44.57	303.06	2.00	-42.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010794152	0	40	-1.0	-44.78	358.97	5.69	-39.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010794153	0	33	-1.0	-38.89	304.22	2.80	-36.09
CC[C@H](C)[C@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010794154	0	46	-1.0	-45.06	370.09	1.85	-43.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300010794155	0	37	-1.0	-41.52	311.31	2.47	-39.05
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010794156	0	38	-1.0	-45.87	337.59	5.85	-40.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010794157	0	40	-1.0	-42.08	369.43	5.34	-36.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010794159	0	36	-1.0	-47.60	316.10	2.99	-44.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010794160	0	39	-1.0	-48.37	343.03	5.35	-43.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010794161	0	39	-1.0	-46.50	334.69	4.97	-41.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010794162	0	36	-1.0	-47.60	316.10	2.99	-44.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010794163	0	43	-1.0	-46.95	340.26	6.85	-40.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010794164	0	38	-1.0	-47.40	335.75	5.09	-42.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010794165	0	41	-1.0	-44.68	344.51	4.52	-40.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010794166	0	48	-1.0	-42.53	388.48	5.57	-36.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010794167	0	34	-1.0	-44.68	302.49	4.37	-40.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010794168	0	40	-1.0	-59.88	351.03	0.45	-59.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010794169	0	44	-1.0	-50.81	358.30	5.49	-45.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010794170	0	40	-1.0	-46.19	358.61	1.56	-44.63
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010794171	0	38	-1.0	-45.39	325.74	5.40	-39.99
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010794172	0	38	-1.0	-43.02	339.79	5.95	-37.07
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010794173	0	38	-1.0	-43.91	339.79	5.96	-37.95
CC[C@H](C)[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010794174	0	39	-1.0	-41.74	327.57	-1.95	-43.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010794175	0	37	-1.0	-50.48	312.83	4.53	-45.95
CC[C@H](C)[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010794176	0	40	-1.0	-56.84	322.98	4.56	-52.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010794177	0	36	-1.0	-47.10	318.36	3.55	-43.55
CC[C@H](C)[C@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010794178	0	42	-1.0	-43.19	339.17	1.30	-41.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010794179	0	43	-1.0	-52.35	353.31	4.34	-48.01
CC[C@H](C)[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010794180	0	51	-1.0	-43.43	363.00	7.00	-36.43
CC[C@H](C)[C@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010794181	0	44	-1.0	-44.12	346.15	3.61	-40.51
CC[C@H](C)[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010794182	0	37	-1.0	-45.82	316.98	-0.19	-46.01
CC[C@H](C)[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010794183	0	42	-1.0	-47.36	324.98	4.58	-42.78
CC[C@H](C)[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010794184	0	42	-1.0	-55.12	356.47	0.93	-54.19
CC[C@H](C)[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010794185	0	47	-1.0	-43.34	360.26	4.47	-38.87
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C2C=CC=CN12	REAL300010794186	0	46	-1.0	-59.98	380.09	6.56	-53.42
CC[C@H](C)[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010794187	0	44	-1.0	-42.01	356.52	6.42	-35.59
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010794188	0	38	-1.0	-50.70	333.97	3.16	-47.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010794189	0	43	-1.0	-54.40	364.68	6.50	-47.90
CC[C@H](C)[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010794190	0	44	-1.0	-41.03	363.60	6.91	-34.12
CC[C@H](C)[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010794191	0	43	-1.0	-41.84	334.29	1.49	-40.35
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794192	0	43	-1.0	-44.33	358.94	5.01	-39.32
CC[C@H](C)[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010794193	0	47	-1.0	-42.62	353.74	6.12	-36.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010794194	0	38	-1.0	-45.12	331.23	5.46	-39.66
CC[C@H](C)[C@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010794195	0	45	-1.0	-48.97	347.39	4.77	-44.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010794196	0	56	-1.0	-47.66	417.08	8.33	-39.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794197	0	37	-1.0	-42.43	329.78	4.91	-37.52
CC[C@H](C)[C@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010794198	0	45	-1.0	-45.15	357.16	4.96	-40.19
CC[C@H](C)[C@H](NS(=O)(=O)NCC1=CC=CC(C)=C1)C(=O)[O-]	REAL300010794199	0	42	-1.0	-44.04	344.37	3.95	-40.09
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=NN1	REAL300010794200	0	40	-1.0	-43.58	337.96	2.26	-41.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010794201	0	39	-1.0	-44.09	337.81	1.99	-42.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010794202	1	37	-1.0	-43.04	338.91	3.38	-39.66
CC[C@H](C)[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010794203	0	46	-1.0	-45.57	345.33	4.56	-41.01
CC[C@H](C)[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010794204	0	45	-1.0	-42.95	367.36	6.07	-36.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010794205	0	38	-1.0	-45.89	337.69	5.37	-40.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010794206	0	38	-1.0	-45.66	334.59	4.93	-40.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010794207	0	38	-1.0	-43.98	321.94	3.66	-40.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010794208	0	38	-1.0	-45.41	329.83	3.73	-41.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010794209	0	40	-1.0	-49.17	331.82	4.10	-45.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010794210	0	37	-1.0	-45.09	313.14	5.56	-39.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010794211	0	43	-1.0	-41.63	363.07	4.58	-37.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010794212	0	31	-1.0	-38.44	312.53	4.25	-34.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010794213	0	34	-1.0	-40.92	289.50	1.60	-39.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010794214	0	47	-1.0	-49.33	379.24	6.52	-42.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010794215	0	51	-1.0	-44.79	405.85	6.06	-38.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010794216	0	37	-1.0	-46.26	339.87	5.46	-40.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010794217	0	39	-1.0	-45.42	338.87	4.79	-40.63
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300010794218	0	42	-1.0	-51.96	339.98	3.62	-48.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010794219	0	45	-1.0	-48.11	374.76	7.01	-41.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010794220	0	40	-1.0	-46.87	319.57	6.00	-40.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010794221	0	37	-1.0	-51.41	315.43	1.74	-49.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010794222	0	39	-1.0	-42.68	342.28	2.74	-39.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010794223	0	35	-1.0	-44.14	313.78	3.03	-41.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300010794224	0	36	-1.0	-40.47	312.07	3.60	-36.87
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794225	0	45	-1.0	-44.87	368.08	5.74	-39.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010794226	0	44	-1.0	-48.44	364.94	4.86	-43.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010794227	0	38	-1.0	-45.87	316.80	3.22	-42.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010794228	0	40	-1.0	-44.53	350.06	6.93	-37.60
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300010794229	0	42	-1.0	-44.91	347.24	3.34	-41.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010794230	0	44	-1.0	-45.38	378.34	8.08	-37.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010794231	0	37	-1.0	-43.60	342.96	5.18	-38.42
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C1Br	REAL300010794232	0	40	-1.0	-42.40	346.47	6.02	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010794233	0	47	-1.0	-45.76	366.76	5.11	-40.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010794234	0	31	-1.0	-40.20	296.23	3.66	-36.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010794235	0	48	-1.0	-44.01	374.16	4.73	-39.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010794236	0	40	-1.0	-44.88	340.45	6.86	-38.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010794237	0	42	-1.0	-48.58	336.30	1.78	-46.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010794238	0	41	-1.0	-44.13	327.89	6.30	-37.83
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010794239	0	45	-1.0	-53.34	338.63	4.12	-49.22
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010794240	0	43	-1.0	-44.68	336.32	0.68	-44.00
CC[C@H](C)[C@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010794241	0	48	-1.0	-42.53	388.30	5.05	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010794242	0	49	-1.0	-46.08	389.30	4.53	-41.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010794243	0	37	-1.0	-41.33	313.04	1.73	-39.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300010794244	0	40	-1.0	-43.50	333.90	1.57	-41.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010794245	0	43	-1.0	-45.95	350.36	4.30	-41.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300010794246	0	43	-1.0	-45.43	343.58	3.65	-41.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010794247	0	33	-1.0	-47.09	304.46	2.91	-44.18
CC[C@H](C)[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010794248	0	44	-1.0	-45.04	341.92	1.49	-43.55
CC[C@H](C)[C@H](NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300010794249	0	40	-1.0	-46.55	340.34	2.00	-44.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010794250	0	32	-1.0	-41.39	293.82	3.48	-37.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010794251	0	37	-1.0	-55.76	336.83	3.96	-51.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010794252	1	32	-1.0	-45.66	300.43	1.95	-43.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010794253	0	38	-1.0	-52.38	332.78	2.14	-50.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1C)C(=O)[O-]	REAL300010794254	0	40	-1.0	-41.85	323.65	5.42	-36.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010794255	0	33	-1.0	-45.68	288.49	2.71	-42.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010794256	0	38	-1.0	-40.48	319.80	4.54	-35.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC=C1OC)C(=O)[O-]	REAL300010794257	0	37	-1.0	-42.38	295.22	2.28	-40.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010794258	0	36	-1.0	-41.46	311.70	4.02	-37.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010794259	0	37	-1.0	-49.85	326.58	1.41	-48.44
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)S1	REAL300010794260	0	43	-1.0	-51.53	369.34	3.20	-48.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010794261	0	41	-1.0	-52.70	348.51	1.96	-50.74
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794262	0	38	-1.0	-40.27	347.20	6.23	-34.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794263	0	39	-1.0	-40.33	334.90	6.22	-34.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010794264	1	33	-1.0	-46.12	308.31	3.01	-43.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010794265	0	45	-1.0	-45.80	356.74	4.45	-41.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010794266	0	40	-1.0	-42.43	318.29	3.09	-39.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010794267	0	42	-1.0	-48.10	343.41	5.43	-42.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010794268	0	42	-1.0	-43.95	354.19	3.53	-40.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794269	0	37	-1.0	-44.87	325.59	6.03	-38.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010794270	0	41	-1.0	-44.13	335.45	4.31	-39.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010794271	0	41	-1.0	-49.87	338.62	5.43	-44.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010794272	0	36	-1.0	-45.24	314.42	3.07	-42.17
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010794273	0	39	-1.0	-50.56	322.52	4.54	-46.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300010794274	0	43	-1.0	-46.65	348.40	3.88	-42.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010794275	0	41	-1.0	-45.29	344.19	6.28	-39.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010794276	0	36	-1.0	-46.06	314.76	3.18	-42.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010794277	0	34	-1.0	-40.59	303.31	4.67	-35.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010794278	0	46	-1.0	-42.53	349.56	4.88	-37.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010794279	0	48	-1.0	-46.12	396.23	7.71	-38.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010794280	0	41	-1.0	-47.17	345.84	6.32	-40.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010794281	0	31	-1.0	-42.72	297.73	3.68	-39.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010794282	0	38	-1.0	-45.53	321.99	4.07	-41.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010794283	0	36	-1.0	-40.57	316.66	3.67	-36.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010794284	0	39	-1.0	-54.39	317.61	5.18	-49.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010794285	0	43	-1.0	-45.41	353.06	6.01	-39.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010794286	0	45	-1.0	-47.79	370.81	8.27	-39.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300010794287	0	39	-1.0	-49.72	320.41	3.73	-45.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010794288	0	37	-1.0	-46.67	312.53	4.66	-42.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010794289	0	33	-1.0	-41.20	303.76	2.95	-38.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794290	0	36	-1.0	-47.32	304.82	4.14	-43.18
CC[C@H](C)[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010794291	0	37	-1.0	-39.45	318.88	3.88	-35.57
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010794292	0	42	-1.0	-47.93	336.88	-0.17	-48.10
CC[C@H](C)[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010794293	0	41	-1.0	-43.09	316.92	2.28	-40.81
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010794294	0	40	-1.0	-40.06	325.00	3.65	-36.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010794295	0	36	-1.0	-43.61	308.78	4.01	-39.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010794296	1	33	-1.0	-43.24	315.44	3.55	-39.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010794297	0	38	-1.0	-59.13	335.25	3.41	-55.72
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010794298	0	38	-1.0	-45.39	325.74	5.40	-39.99
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010794299	0	38	-1.0	-44.06	335.22	5.86	-38.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010794300	0	43	-1.0	-48.07	364.51	3.68	-44.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300010794301	0	37	-1.0	-46.20	302.36	2.35	-43.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010794302	0	41	-1.0	-43.24	340.36	6.43	-36.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010794303	0	37	-1.0	-52.05	334.73	5.73	-46.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010794304	0	38	-1.0	-41.26	324.04	3.55	-37.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010794305	0	41	-1.0	-45.67	345.01	4.49	-41.18
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(=O)OC	REAL300010794306	0	47	-1.0	-47.14	388.27	5.72	-41.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010794307	0	47	-1.0	-49.10	383.64	6.62	-42.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300010794308	0	37	-1.0	-45.38	309.76	1.43	-43.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010794309	0	40	-1.0	-40.37	335.13	2.19	-38.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010794310	0	40	-1.0	-42.15	353.23	6.17	-35.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794311	0	39	-1.0	-47.08	326.55	3.83	-43.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794312	0	40	-1.0	-49.75	339.34	5.69	-44.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010794313	0	39	-1.0	-46.64	324.35	4.58	-42.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010794314	0	34	-1.0	-40.04	301.66	5.24	-34.80
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794315	0	40	-1.0	-51.40	331.46	3.45	-47.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010794316	0	45	-1.0	-44.84	383.21	5.16	-39.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010794317	0	42	-1.0	-51.11	329.67	5.75	-45.36
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010794318	1	30	-1.0	-39.04	290.54	2.57	-36.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=NC(C)=C1)C(=O)[O-]	REAL300010794319	0	39	-1.0	-44.11	324.98	3.61	-40.50
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010794320	0	36	-1.0	-37.60	302.23	2.63	-34.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010794321	0	36	-1.0	-43.26	323.79	2.65	-40.61
CC[C@H](C)[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010794322	0	41	-1.0	-55.70	322.54	7.16	-48.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1C)C(=O)[O-]	REAL300010794323	0	36	-1.0	-45.43	315.71	3.58	-41.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010794324	0	36	-1.0	-47.14	304.57	3.52	-43.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300010794325	0	34	-1.0	-39.31	310.60	4.58	-34.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010794326	0	36	-1.0	-47.83	309.26	3.72	-44.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010794327	0	41	-1.0	-45.29	343.91	4.57	-40.72
CC[C@H](C)[C@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010794328	0	51	-1.0	-56.94	353.84	8.90	-48.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010794329	0	47	-1.0	-46.75	375.21	6.11	-40.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1O)C(=O)[O-]	REAL300010794330	0	38	-1.0	-47.20	317.64	2.52	-44.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010794331	1	39	-1.0	-46.65	337.49	3.20	-43.45
CCCCC(NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300010794332	0	33	-1.0	-51.83	304.60	3.23	-48.60
CCCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010794333	0	34	-1.0	-50.77	319.58	5.19	-45.58
CCCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010794334	0	34	-1.0	-41.54	309.85	5.22	-36.32
CCCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300010794335	0	46	-1.0	-44.93	360.05	7.29	-37.64
CCCCC(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010794336	0	43	-1.0	-55.43	363.88	5.07	-50.36
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794337	0	40	-1.0	-47.59	337.25	5.97	-41.62
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010794338	0	43	-1.0	-51.16	374.89	6.16	-45.00
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010794339	0	34	-1.0	-42.66	326.98	5.65	-37.01
CCCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794340	0	40	-1.0	-60.23	353.74	5.31	-54.92
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010794341	0	46	-1.0	-53.57	374.73	6.88	-46.69
CCCCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300010794342	0	43	-1.0	-53.64	358.73	6.48	-47.16
CCCCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300010794343	0	46	-1.0	-53.55	377.17	7.13	-46.42
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010794344	0	45	-1.0	-55.02	393.03	2.61	-52.41
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010794345	0	38	-1.0	-43.27	332.79	1.40	-41.87
CCCCC(NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010794346	0	44	-1.0	-56.81	380.48	3.58	-53.23
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010794347	0	36	-1.0	-38.83	340.65	5.87	-32.96
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010794348	0	34	-1.0	-55.77	318.36	5.77	-50.00
CCCCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010794349	0	31	-1.0	-51.02	308.00	4.21	-46.81
CCCCC(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300010794350	0	43	-1.0	-53.68	362.92	6.77	-46.91
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300010794351	0	38	-1.0	-43.94	309.41	4.71	-39.23
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010794352	0	34	-1.0	-49.39	331.09	5.68	-43.71
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010794353	0	38	-1.0	-50.85	348.14	4.54	-46.31
CCCCC(NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010794354	0	45	-1.0	-50.30	365.75	3.59	-46.71
CCCCC(NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010794355	0	34	-1.0	-48.42	316.87	4.76	-43.66
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010794356	0	34	-1.0	-39.54	332.76	5.65	-33.89
CCCCC(NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010794357	0	34	-1.0	-54.08	309.48	5.08	-49.00
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794358	0	46	-1.0	-46.40	406.55	5.89	-40.51
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794359	0	46	-1.0	-49.44	397.30	6.76	-42.68
CCCCC(NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010794360	1	34	-1.0	-59.70	305.31	4.80	-54.90
CCCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010794361	0	33	-1.0	-41.21	308.90	3.23	-37.98
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010794362	0	34	-1.0	-50.21	321.04	5.14	-45.07
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010794363	0	37	-1.0	-53.37	332.79	5.87	-47.50
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010794364	0	37	-1.0	-50.64	338.00	5.74	-44.90
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010794365	0	45	-1.0	-61.27	382.56	2.87	-58.40
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794366	0	38	-1.0	-50.67	344.26	4.36	-46.31
CCCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010794367	0	49	-1.0	-54.21	372.50	7.62	-46.59
CCCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010794368	0	43	-1.0	-53.15	361.29	4.48	-48.67
CCCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794369	0	39	-1.0	-59.18	342.45	5.76	-53.42
CCCCC(NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010794370	0	31	-1.0	-51.04	312.64	4.33	-46.71
CCCCC(NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010794371	0	40	-1.0	-41.73	354.20	6.94	-34.79
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010794372	0	38	-1.0	-40.61	332.41	5.02	-35.59
CCCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010794373	0	52	-1.0	-44.58	401.21	8.46	-36.12
CCCCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010794374	0	50	-1.0	-53.04	400.14	8.37	-44.67
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010794375	0	37	-1.0	-49.87	336.97	5.57	-44.30
CCCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010794376	0	44	-1.0	-45.81	362.01	7.11	-38.70
CCCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010794377	0	42	-1.0	-44.68	340.76	3.71	-40.97
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010794378	0	42	-1.0	-53.10	357.20	3.75	-49.35
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794379	0	44	-1.0	-53.18	395.75	4.13	-49.05
CCCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010794380	0	41	-1.0	-55.14	344.05	6.45	-48.69
CCCCC(NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010794381	0	41	-1.0	-57.72	373.83	2.75	-54.97
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010794382	0	42	-1.0	-45.84	353.70	7.02	-38.82
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010794383	0	34	-1.0	-41.64	297.31	4.33	-37.31
CCCCC(NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010794384	0	44	-1.0	-55.27	365.15	4.27	-51.00
CCCCC(NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010794385	0	31	-1.0	-37.44	321.35	4.76	-32.68
CCCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010794386	0	49	-1.0	-53.66	401.98	8.05	-45.61
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010794387	0	40	-1.0	-46.05	334.80	6.78	-39.27
CCCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010794388	0	44	-1.0	-54.41	372.68	7.95	-46.46
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010794389	0	37	-1.0	-38.65	347.68	6.10	-32.55
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300010794390	0	37	-1.0	-40.13	314.68	5.44	-34.69
CCCCC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794391	0	34	-1.0	-39.29	336.13	6.33	-32.96
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010794392	0	49	-1.0	-53.55	388.96	7.34	-46.21
CCCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300010794393	0	37	-1.0	-54.17	333.95	5.65	-48.52
CCCCC(NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010794394	0	34	-1.0	-37.27	316.04	4.77	-32.50
CCCCC(NS(=O)(=O)C1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010794395	0	37	-1.0	-46.22	326.21	5.35	-40.87
CCCCC(NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010794396	1	34	-1.0	-48.64	331.31	5.29	-43.35
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010794397	0	37	-1.0	-41.34	330.98	5.28	-36.06
CCCCC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010794398	0	34	-1.0	-38.61	317.78	4.93	-33.68
CCCCC(NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010794399	0	34	-1.0	-38.32	303.48	4.38	-33.94
CCCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010794400	0	35	-1.0	-63.77	308.35	3.42	-60.35
CCCCC(NS(=O)(=O)C1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300010794401	0	37	-1.0	-50.46	325.22	5.24	-45.22
CCCCC(NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794402	0	37	-1.0	-47.55	342.79	5.61	-41.94
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010794403	0	39	-1.0	-50.32	323.35	5.71	-44.61
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010794404	0	37	-1.0	-53.30	322.46	5.41	-47.89
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010794405	0	45	-1.0	-54.33	404.01	7.94	-46.39
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010794406	0	34	-1.0	-45.25	321.08	5.17	-40.08
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010794407	0	34	-1.0	-49.24	318.83	5.26	-43.98
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010794408	0	40	-1.0	-51.27	354.71	5.11	-46.16
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1F)C(=O)[O-]	REAL300010794409	0	37	-1.0	-46.38	312.20	4.93	-41.45
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300010794410	0	38	-1.0	-51.05	334.19	3.91	-47.14
CCCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010794411	0	37	-1.0	-54.51	324.96	5.27	-49.24
CCCCC(NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010794412	1	34	-1.0	-41.12	313.78	4.95	-36.17
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010794413	0	34	-1.0	-47.63	325.49	5.21	-42.42
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010794414	0	49	-1.0	-52.38	416.45	6.69	-45.69
CCCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010794415	0	41	-1.0	-56.07	368.62	4.06	-52.01
CCCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300010794416	0	45	-1.0	-52.85	347.56	4.75	-48.10
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010794417	0	50	-1.0	-55.72	405.67	7.78	-47.94
CCCCC(NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010794418	0	38	-1.0	-44.20	342.47	5.68	-38.52
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010794419	0	37	-1.0	-43.12	335.82	6.37	-36.75
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010794420	0	37	-1.0	-40.12	353.54	6.27	-33.85
CCCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010794421	0	44	-1.0	-56.35	366.21	6.21	-50.14
CCCCC(NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010794422	0	41	-1.0	-52.73	348.86	2.01	-50.72
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010794423	0	42	-1.0	-54.82	360.04	1.94	-52.88
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010794424	0	39	-1.0	-49.86	338.65	6.05	-43.81
CCCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010794425	0	41	-1.0	-59.28	360.85	3.51	-55.77
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010794426	0	39	-1.0	-50.17	333.13	5.89	-44.28
CCCCC(NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010794427	0	34	-1.0	-57.30	314.43	4.03	-53.27
CCCCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300010794428	0	37	-1.0	-44.06	327.13	5.35	-38.71
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794429	0	40	-1.0	-44.65	370.81	5.78	-38.87
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010794430	0	33	-1.0	-42.95	314.20	3.26	-39.69
CCCCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010794431	0	43	-1.0	-66.47	383.31	2.77	-63.70
CCCCC(NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010794432	0	41	-1.0	-62.95	360.23	3.57	-59.38
CCCCC(NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010794433	0	48	-1.0	-64.97	391.22	6.22	-58.75
CCCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010794434	0	39	-1.0	-48.86	346.85	0.61	-48.25
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010794435	0	44	-1.0	-54.79	356.30	5.30	-49.49
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010794436	0	34	-1.0	-40.59	322.44	5.41	-35.18
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010794437	0	45	-1.0	-43.09	382.62	4.12	-38.97
CCCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010794438	0	37	-1.0	-55.61	343.42	5.87	-49.74
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010794439	0	34	-1.0	-47.63	334.36	5.65	-41.98
CCCCC(NS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300010794440	0	47	-1.0	-62.62	402.22	4.33	-58.29
CCCCC(NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010794441	0	48	-1.0	-44.47	393.23	3.42	-41.05
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300010794442	0	42	-1.0	-59.68	355.21	6.91	-52.77
CCCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300010794443	0	46	-1.0	-53.78	379.66	7.23	-46.55
CCCCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010794444	0	44	-1.0	-53.92	375.09	5.05	-48.87
CCCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300010794445	0	46	-1.0	-41.90	370.81	1.86	-40.04
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300010794446	0	37	-1.0	-39.74	325.01	5.89	-33.85
CCCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010794447	0	50	-1.0	-52.78	410.14	6.89	-45.89
CCCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010794448	0	48	-1.0	-52.25	393.14	6.76	-45.49
CCCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010794449	0	47	-1.0	-53.25	391.42	6.27	-46.98
CCCCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300010794450	0	44	-1.0	-53.22	371.32	5.57	-47.65
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010794451	0	38	-1.0	-50.82	343.75	4.42	-46.40
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010794452	0	38	-1.0	-52.11	353.75	4.67	-47.44
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300010794453	0	41	-1.0	-52.85	347.79	4.61	-48.24
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010794454	0	47	-1.0	-52.51	387.57	6.16	-46.35
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300010794455	0	41	-1.0	-42.68	337.23	4.66	-38.02
CCCCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010794456	0	45	-1.0	-55.56	383.20	4.06	-51.50
CCCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010794457	0	37	-1.0	-56.77	327.19	5.30	-51.47
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(CCCC)C(=O)[O-])=C1	REAL300010794458	0	45	-1.0	-58.64	389.02	4.23	-54.41
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010794459	0	49	-1.0	-56.37	404.56	4.05	-52.32
CCCCC(NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010794460	0	37	-1.0	-53.75	334.02	5.88	-47.87
CCCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010794461	0	40	-1.0	-60.21	369.37	2.60	-57.61
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794462	0	40	-1.0	-43.99	354.02	6.50	-37.49
CCCCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010794463	0	39	-1.0	-46.21	338.01	4.97	-41.24
CCCCC(NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010794464	0	38	-1.0	-43.96	334.27	5.05	-38.91
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1C)C(=O)[O-]	REAL300010794465	0	38	-1.0	-39.03	331.33	5.82	-33.21
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010794466	0	35	-1.0	-51.21	325.17	5.02	-46.19
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010794467	0	38	-1.0	-51.00	353.94	5.71	-45.29
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794468	0	44	-1.0	-53.29	380.31	5.27	-48.02
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010794469	0	43	-1.0	-51.31	369.26	5.74	-45.57
CCCCC(NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-]	REAL300010794470	0	41	-1.0	-37.63	341.63	3.22	-34.41
CCCCC(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010794471	0	44	-1.0	-49.19	357.28	-0.11	-49.30
CCCCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300010794472	0	43	-1.0	-41.29	343.00	2.55	-38.74
CCCCC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010794473	0	43	-1.0	-58.70	367.20	4.62	-54.08
CCCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010794474	0	43	-1.0	-50.57	367.70	5.79	-44.78
CCCCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300010794475	0	43	-1.0	-51.01	355.43	4.39	-46.62
CCCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300010794476	0	40	-1.0	-45.40	344.06	3.71	-41.69
CCCCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010794477	0	43	-1.0	-60.26	360.60	6.15	-54.11
CCCCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300010794478	0	40	-1.0	-59.87	341.74	5.27	-54.60
CCCCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300010794479	0	40	-1.0	-50.16	340.84	3.01	-47.15
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010794480	0	46	-1.0	-44.68	345.13	7.32	-37.36
CCCCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010794481	0	42	-1.0	-68.83	364.92	3.94	-64.89
CCCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010794483	0	41	-1.0	-59.10	364.28	5.83	-53.27
CCCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010794484	0	40	-1.0	-45.43	364.98	5.36	-40.07
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010794485	0	38	-1.0	-43.58	353.05	4.91	-38.67
CCCCC(NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010794486	0	44	-1.0	-55.32	388.77	6.61	-48.71
CCCCC(NS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794487	0	37	-1.0	-39.35	339.84	3.45	-35.90
CCCCC(NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010794488	0	34	-1.0	-39.00	327.48	5.18	-33.82
CCCCC(NS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794489	0	38	-1.0	-44.84	340.29	2.93	-41.91
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010794490	0	35	-1.0	-48.45	334.42	5.37	-43.08
CCCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010794491	0	42	-1.0	-50.04	347.87	7.48	-42.56
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010794492	0	40	-1.0	-58.30	363.37	5.73	-52.57
CCCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010794493	0	43	-1.0	-52.81	371.20	2.96	-49.85
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010794494	0	38	-1.0	-54.63	336.89	5.73	-48.90
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010794495	0	35	-1.0	-48.56	334.46	5.37	-43.19
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010794496	0	50	-1.0	-53.24	410.71	6.32	-46.92
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010794497	0	45	-1.0	-58.92	386.29	4.54	-54.38
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010794498	0	46	-1.0	-55.23	407.50	2.40	-52.83
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300010794499	0	42	-1.0	-55.83	375.10	0.71	-55.12
CCCCC(NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300010794500	0	44	-1.0	-62.72	395.03	3.50	-59.22
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010794501	0	37	-1.0	-46.25	338.84	3.43	-42.82
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010794502	0	40	-1.0	-52.32	357.61	4.06	-48.26
CCCCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300010794503	0	36	-1.0	-52.05	324.67	3.16	-48.89
CCCCC(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794504	1	36	-1.0	-48.60	323.41	6.25	-42.35
CCCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010794505	0	37	-1.0	-54.89	355.54	6.25	-48.64
CCCCC(NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300010794506	0	47	-1.0	-51.04	391.57	5.16	-45.88
CCCCC(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010794507	0	34	-1.0	-44.65	314.49	5.42	-39.23
CCCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010794508	0	40	-1.0	-46.61	378.75	5.17	-41.44
CCCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010794509	0	54	-1.0	-51.92	432.83	8.19	-43.73
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010794510	0	44	-1.0	-57.07	395.78	4.13	-52.94
CCCCC(NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010794511	0	34	-1.0	-50.66	326.06	5.67	-44.99
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010794512	0	43	-1.0	-45.00	365.14	6.08	-38.92
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794513	0	36	-1.0	-44.82	333.37	6.63	-38.19
CCCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010794514	0	42	-1.0	-53.55	362.98	3.84	-49.71
CCCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010794515	0	45	-1.0	-56.28	368.94	4.59	-51.69
CCCCC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794516	1	36	-1.0	-40.51	345.70	7.27	-33.24
CCCCC(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010794517	0	37	-1.0	-58.43	336.30	5.41	-53.02
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010794518	0	35	-1.0	-51.79	321.41	4.80	-46.99
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010794519	0	35	-1.0	-51.66	331.71	5.25	-46.41
CCCCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010794520	0	37	-1.0	-54.15	337.98	5.73	-48.42
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300010794521	0	37	-1.0	-51.31	315.45	5.41	-45.90
CCCCC(NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010794522	0	40	-1.0	-52.09	358.65	3.39	-48.70
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010794523	0	40	-1.0	-52.97	352.26	7.27	-45.70
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010794524	0	39	-1.0	-39.21	347.43	6.70	-32.51
CCCCC(NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010794525	0	34	-1.0	-41.37	332.51	4.95	-36.42
CCCCC(NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010794526	0	38	-1.0	-60.90	340.52	5.73	-55.17
CCCCC(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794527	0	40	-1.0	-41.68	364.91	5.36	-36.32
CCCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010794528	0	52	-1.0	-52.52	385.27	6.22	-46.30
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010794529	0	42	-1.0	-50.74	343.36	6.21	-44.53
CCCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010794530	0	45	-1.0	-46.32	376.45	3.17	-43.15
CCCCC(NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010794531	0	37	-1.0	-54.28	330.38	5.78	-48.50
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010794532	0	40	-1.0	-55.36	346.85	5.69	-49.67
CCCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010794533	0	42	-1.0	-51.61	357.26	2.30	-49.31
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010794534	0	40	-1.0	-49.81	354.00	5.28	-44.53
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010794535	0	40	-1.0	-39.54	347.34	6.38	-33.16
CCCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300010794536	0	41	-1.0	-44.89	356.79	2.21	-42.68
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300010794537	0	47	-1.0	-55.68	387.71	7.11	-48.57
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300010794538	0	44	-1.0	-44.19	350.16	6.14	-38.05
CCCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010794539	0	39	-1.0	-49.54	347.57	4.79	-44.75
CCCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010794540	0	41	-1.0	-48.23	357.61	5.71	-42.52
CCCCC(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794541	0	36	-1.0	-55.42	342.88	5.67	-49.75
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010794542	0	35	-1.0	-55.48	320.95	4.74	-50.74
CCCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300010794543	0	48	-1.0	-55.76	405.30	5.01	-50.75
CCCCCOC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1	REAL300010794544	0	50	-1.0	-53.19	414.31	7.14	-46.05
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794545	0	36	-1.0	-48.37	334.69	6.84	-41.53
CCCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794546	0	40	-1.0	-50.34	357.56	5.24	-45.10
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794547	0	40	-1.0	-49.11	376.73	6.12	-42.99
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010794548	0	44	-1.0	-44.38	365.75	5.06	-39.32
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010794549	0	37	-1.0	-42.69	345.18	4.29	-38.40
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010794550	0	46	-1.0	-46.05	383.41	6.64	-39.41
CCCCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794551	0	43	-1.0	-54.86	369.28	5.73	-49.13
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010794552	0	40	-1.0	-45.17	347.04	4.91	-40.26
CCCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010794553	0	44	-1.0	-44.00	349.56	7.13	-36.87
CCCCC(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794554	0	40	-1.0	-55.88	346.74	6.33	-49.55
CCCCC(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010794555	0	33	-1.0	-48.76	314.70	3.36	-45.40
CCCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794556	0	38	-1.0	-51.84	354.89	6.00	-45.84
CCCCC(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010794557	0	34	-1.0	-47.61	325.24	5.23	-42.38
CCCCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010794558	0	41	-1.0	-65.08	363.15	2.41	-62.67
CCCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010794559	0	37	-1.0	-51.33	328.21	5.89	-45.44
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010794560	0	38	-1.0	-50.10	348.39	4.51	-45.59
CCCCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010794561	0	45	-1.0	-53.14	375.99	5.81	-47.33
CCCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010794562	0	42	-1.0	-55.73	377.42	1.32	-54.41
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1)C(=O)[O-]	REAL300010794563	0	51	-1.0	-59.94	429.15	3.73	-56.21
CCCCC(NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010794564	0	38	-1.0	-44.32	345.51	4.64	-39.68
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010794565	0	43	-1.0	-52.67	381.11	3.07	-49.60
CCCCC(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010794566	0	36	-1.0	-42.22	347.57	4.53	-37.69
CCCCC(NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010794567	0	39	-1.0	-64.59	352.00	5.55	-59.04
CCCCC(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010794568	0	35	-1.0	-37.73	339.15	5.59	-32.14
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300010794569	0	41	-1.0	-50.58	370.24	5.44	-45.14
CCCCC(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010794570	0	39	-1.0	-49.55	349.21	-0.02	-49.57
CCCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010794571	0	48	-1.0	-45.67	410.04	6.53	-39.14
CCCCC(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010794572	0	43	-1.0	-55.43	363.88	5.07	-50.36
CCCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010794573	0	39	-1.0	-52.65	351.10	4.57	-48.08
CCCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010794574	0	39	-1.0	-43.83	335.29	3.92	-39.91
CCCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010794575	0	42	-1.0	-53.58	361.52	5.83	-47.75
CCCCC(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010794576	0	40	-1.0	-62.14	336.76	0.80	-61.34
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010794577	0	44	-1.0	-45.58	377.28	5.50	-40.08
CCCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010794578	0	39	-1.0	-58.89	346.52	4.75	-54.14
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300010794579	0	44	-1.0	-42.65	359.07	5.58	-37.07
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300010794580	0	42	-1.0	-61.09	375.10	0.71	-60.38
CCCCC(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010794581	0	36	-1.0	-54.64	322.02	-0.21	-54.85
CCCCC(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010794582	0	43	-1.0	-58.83	364.51	6.29	-52.54
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010794583	0	38	-1.0	-55.74	334.22	4.65	-51.09
CCCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300010794584	0	38	-1.0	-52.29	338.46	5.59	-46.70
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1)C(=O)[O-]	REAL300010794585	0	46	-1.0	-51.08	396.63	6.92	-44.16
CCCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794586	0	40	-1.0	-41.76	357.35	6.28	-35.48
CCCCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010794587	0	45	-1.0	-41.08	367.71	6.42	-34.66
CCCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010794588	0	33	-1.0	-47.63	321.96	3.65	-43.98
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010794589	0	40	-1.0	-47.65	341.46	4.26	-43.39
CCCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010794590	0	39	-1.0	-54.42	332.79	4.95	-49.47
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010794591	0	37	-1.0	-39.72	329.58	5.99	-33.73
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010794592	0	42	-1.0	-55.16	358.05	3.75	-51.41
CCCCC(NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010794593	0	50	-1.0	-56.62	413.40	5.50	-51.12
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300010794594	0	48	-1.0	-52.66	400.91	5.59	-47.07
CCCCC(NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010794595	0	40	-1.0	-49.67	342.12	3.54	-46.13
CCCCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300010794596	0	40	-1.0	-55.19	333.02	3.51	-51.68
CCCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010794597	0	39	-1.0	-56.70	352.53	-0.48	-57.18
CCCCC(NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010794598	0	45	-1.0	-63.27	376.31	5.66	-57.61
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010794599	0	48	-1.0	-59.50	391.60	6.16	-53.34
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010794600	0	42	-1.0	-41.09	353.69	6.57	-34.52
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010794601	0	40	-1.0	-51.72	353.27	5.20	-46.52
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010794602	0	45	-1.0	-58.53	377.41	5.57	-52.96
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010794603	0	41	-1.0	-54.22	354.94	2.82	-51.40
CCCCC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010794604	0	38	-1.0	-54.21	332.75	1.35	-52.86
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010794605	0	48	-1.0	-58.05	392.89	6.13	-51.92
CCCCC(NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010794606	0	37	-1.0	-45.35	332.33	4.88	-40.47
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010794607	0	37	-1.0	-51.23	346.63	4.35	-46.88
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794608	0	38	-1.0	-48.27	354.85	5.75	-42.52
CCCCC(NS(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010794609	0	40	-1.0	-65.26	350.22	3.22	-62.04
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010794610	0	40	-1.0	-43.43	353.44	1.58	-41.85
CCCCC(NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010794611	0	40	-1.0	-42.44	349.97	1.84	-40.60
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010794612	0	40	-1.0	-53.34	360.25	2.31	-51.03
CCCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010794613	0	42	-1.0	-50.83	344.42	6.35	-44.48
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794614	0	40	-1.0	-48.65	346.10	5.40	-43.25
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010794615	0	38	-1.0	-53.91	343.32	4.95	-48.96
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010794616	0	38	-1.0	-42.89	323.09	5.08	-37.81
CCCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010794617	0	39	-1.0	-49.21	353.19	-0.40	-49.61
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794618	0	40	-1.0	-54.79	353.30	5.21	-49.58
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010794619	0	46	-1.0	-48.48	406.05	2.43	-46.05
CCCCC(NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010794620	0	39	-1.0	-57.01	350.10	5.94	-51.07
CCCCC(NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010794621	0	37	-1.0	-55.77	328.29	5.33	-50.44
CCCCC(NS(=O)(=O)C1=CC=C(C)C=C1Cl)C(=O)[O-]	REAL300010794622	0	37	-1.0	-43.71	333.68	5.86	-37.85
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010794623	0	40	-1.0	-47.68	354.80	1.00	-46.68
CCCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010794624	0	40	-1.0	-59.15	359.19	2.06	-57.09
CCCCC(NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010794625	0	41	-1.0	-43.27	362.67	3.85	-39.42
CCCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010794626	0	42	-1.0	-55.55	364.08	6.07	-49.48
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1C)C(=O)[O-]	REAL300010794627	0	37	-1.0	-39.05	314.66	5.44	-33.61
CCCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010794628	0	43	-1.0	-52.08	345.56	5.46	-46.62
CCCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010794629	0	42	-1.0	-46.24	350.07	5.72	-40.52
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010794630	0	40	-1.0	-58.64	352.34	4.52	-54.12
CCCCC(NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010794631	0	39	-1.0	-54.84	346.08	6.06	-48.78
CCCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794632	0	42	-1.0	-58.38	351.87	7.28	-51.10
CCCCC(NS(=O)(=O)N1CCCC(C(=O)OCC)C1)C(=O)[O-]	REAL300010794633	0	48	-1.0	-57.98	383.87	4.93	-53.05
CCCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010794634	0	38	-1.0	-40.73	345.30	4.41	-36.32
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010794635	0	45	-1.0	-49.96	395.62	2.58	-47.38
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010794636	0	34	-1.0	-49.24	315.95	5.15	-44.09
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794637	0	36	-1.0	-56.10	329.76	6.56	-49.54
CCCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010794638	0	46	-1.0	-66.45	384.99	3.92	-62.53
CCCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010794639	0	44	-1.0	-56.30	361.07	8.33	-47.97
CCCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300010794640	0	45	-1.0	-54.59	337.84	4.72	-49.87
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010794641	0	43	-1.0	-44.95	373.69	6.16	-38.79
CCCCC(NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010794642	0	48	-1.0	-58.31	387.80	4.30	-54.01
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010794643	0	34	-1.0	-50.68	315.25	5.06	-45.62
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010794644	0	34	-1.0	-50.55	319.81	5.17	-45.38
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010794645	0	36	-1.0	-49.15	326.48	5.24	-43.91
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010794646	0	40	-1.0	-45.97	343.00	6.87	-39.10
CCCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010794647	0	41	-1.0	-57.97	354.34	3.46	-54.51
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010794648	0	39	-1.0	-40.55	336.52	6.04	-34.51
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010794649	0	38	-1.0	-53.06	328.00	3.84	-49.22
CCCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794650	0	36	-1.0	-48.02	310.08	5.96	-42.06
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300010794651	0	41	-1.0	-40.43	350.12	6.11	-34.32
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010794652	0	41	-1.0	-52.70	349.85	4.77	-47.93
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010794653	0	34	-1.0	-49.89	310.46	4.71	-45.18
CCCCC(NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010794654	0	34	-1.0	-39.80	312.11	4.75	-35.05
CCCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010794655	0	40	-1.0	-53.49	342.72	3.72	-49.77
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300010794656	0	43	-1.0	-42.69	344.88	6.82	-35.87
CCCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010794657	0	49	-1.0	-43.30	386.68	7.75	-35.55
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010794658	0	34	-1.0	-47.78	330.15	5.54	-42.24
CCCCC(NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010794659	0	34	-1.0	-47.67	310.94	4.69	-42.98
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010794660	0	34	-1.0	-52.04	325.39	5.60	-46.44
CCCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794661	0	37	-1.0	-50.79	337.26	5.55	-45.24
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794662	0	37	-1.0	-59.08	315.95	5.31	-53.77
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794663	0	37	-1.0	-47.35	350.13	5.99	-41.36
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010794664	0	34	-1.0	-50.89	315.01	5.09	-45.80
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010794665	0	37	-1.0	-52.47	348.26	6.08	-46.39
CCCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010794666	0	39	-1.0	-53.08	339.51	4.98	-48.10
CCCCC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010794667	0	34	-1.0	-47.71	320.83	5.13	-42.58
CCCCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300010794668	0	39	-1.0	-58.86	339.54	4.97	-53.89
CCCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010794669	0	43	-1.0	-55.32	374.64	3.64	-51.68
CCCCC(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010794670	0	33	-1.0	-38.70	326.03	3.73	-34.97
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010794671	0	37	-1.0	-56.60	329.25	5.00	-51.60
CCCCC(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010794672	0	38	-1.0	-56.10	338.76	4.36	-51.74
CCCCC(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010794673	0	43	-1.0	-52.62	383.19	7.26	-45.36
CCCCC(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010794674	0	43	-1.0	-59.25	375.23	6.01	-53.24
CCCCC(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010794675	0	41	-1.0	-55.31	340.22	6.28	-49.03
CCCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010794676	0	44	-1.0	-47.02	379.01	6.38	-40.64
CCCCC(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010794677	0	45	-1.0	-74.15	377.09	5.59	-68.56
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010794678	0	35	-1.0	-54.64	330.40	5.11	-49.53
CCCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300010794679	0	38	-1.0	-39.68	329.05	5.76	-33.92
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010794680	0	48	-1.0	-54.76	402.81	4.04	-50.72
CCCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010794681	0	42	-1.0	-45.02	373.08	5.74	-39.28
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010794682	0	39	-1.0	-49.06	342.45	5.75	-43.31
CCCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010794683	0	37	-1.0	-53.64	339.36	3.36	-50.28
CCCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010794684	0	45	-1.0	-58.33	386.83	5.32	-53.01
CCCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010794685	0	36	-1.0	-47.54	331.29	4.11	-43.43
CCCCC(NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010794686	0	44	-1.0	-61.61	376.76	5.21	-56.40
CCCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300010794687	0	35	-1.0	-59.49	308.97	2.87	-56.62
CCCCC(NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010794688	0	44	-1.0	-70.12	372.07	4.29	-65.83
CCCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010794689	0	46	-1.0	-54.35	372.69	5.10	-49.25
CCCCC(NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010794690	0	36	-1.0	-47.92	329.00	3.79	-44.13
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010794691	0	40	-1.0	-54.39	349.81	3.58	-50.81
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010794692	0	43	-1.0	-54.23	372.00	6.25	-47.98
CCCCC(NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300010794693	0	38	-1.0	-57.79	334.41	5.22	-52.57
CCCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010794694	0	42	-1.0	-46.95	356.02	3.19	-43.76
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010794695	0	40	-1.0	-58.08	346.74	5.88	-52.20
CCCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300010794696	0	46	-1.0	-54.50	375.29	7.13	-47.37
CCCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010794697	0	42	-1.0	-39.12	351.52	6.80	-32.32
CCCCC(NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794698	0	40	-1.0	-43.60	356.43	4.14	-39.46
CCCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010794699	0	35	-1.0	-50.74	320.16	2.53	-48.21
CCCCC(NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010794700	0	36	-1.0	-54.61	327.99	3.35	-51.26
CCCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010794701	0	40	-1.0	-42.19	346.32	5.96	-36.23
CCCCC(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010794702	0	42	-1.0	-50.37	356.62	3.04	-47.33
CCCCC(NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010794703	0	41	-1.0	-61.59	360.25	4.68	-56.91
CCCCC(NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010794704	0	34	-1.0	-39.93	322.44	5.20	-34.73
CCCCC(NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010794705	0	33	-1.0	-48.96	310.13	3.25	-45.71
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010794706	0	45	-1.0	-51.96	380.70	6.40	-45.56
CCCCC(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010794707	0	37	-1.0	-38.96	340.89	5.82	-33.14
CCCCC(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010794708	0	39	-1.0	-55.21	341.09	0.75	-54.46
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010794709	0	37	-1.0	-39.58	327.18	5.94	-33.64
CCCCC(NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300010794710	0	45	-1.0	-56.50	369.60	4.41	-52.09
CCCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010794711	0	42	-1.0	-55.57	363.27	2.21	-53.36
CCCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010794712	0	44	-1.0	-44.61	354.42	5.41	-39.20
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010794713	0	42	-1.0	-58.00	369.69	4.26	-53.74
CCCCC(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010794714	0	43	-1.0	-57.74	376.69	5.93	-51.81
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010794715	0	45	-1.0	-54.82	374.03	4.68	-50.14
CCCCC(NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794716	0	43	-1.0	-48.61	376.44	5.95	-42.66
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010794717	0	40	-1.0	-46.49	360.70	4.35	-42.14
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010794718	0	45	-1.0	-54.45	382.48	8.68	-45.77
CCCCC(NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010794719	0	44	-1.0	-59.27	384.08	5.49	-53.78
CCCCC(NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010794720	0	47	-1.0	-55.47	405.04	5.64	-49.83
CCCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010794721	0	44	-1.0	-43.68	360.63	5.48	-38.20
CCCCC(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010794722	0	38	-1.0	-51.91	337.67	5.00	-46.91
CCCCC(NS(=O)(=O)CCCC(=O)OCC)C(=O)[O-]	REAL300010794723	0	42	-1.0	-42.33	360.53	4.79	-37.54
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794724	0	37	-1.0	-42.46	332.43	6.62	-35.84
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794725	0	36	-1.0	-44.72	337.90	6.75	-37.97
CCCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794726	0	39	-1.0	-46.94	328.96	6.87	-40.07
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010794727	0	36	-1.0	-46.96	340.82	5.87	-41.09
CCCCC(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010794728	0	31	-1.0	-36.69	298.84	3.82	-32.87
CCCCC(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010794729	0	38	-1.0	-51.40	333.04	4.85	-46.55
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010794730	0	42	-1.0	-55.17	344.62	5.76	-49.41
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010794731	0	36	-1.0	-56.34	333.83	3.89	-52.45
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010794732	0	42	-1.0	-46.44	364.71	3.86	-42.58
CCCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010794733	0	39	-1.0	-47.63	334.68	5.20	-42.43
CCCCC(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010794734	0	33	-1.0	-39.82	325.76	3.83	-35.99
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010794735	0	36	-1.0	-40.01	330.89	5.32	-34.69
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010794736	0	36	-1.0	-46.57	342.89	5.68	-40.89
CCCCC(NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300010794737	0	43	-1.0	-60.75	377.27	3.15	-57.60
CCCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794738	0	39	-1.0	-54.01	347.16	5.40	-48.61
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794739	0	36	-1.0	-56.19	326.38	5.66	-50.53
CCCCC(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794740	0	36	-1.0	-37.63	331.66	5.32	-32.31
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794741	0	41	-1.0	-53.13	369.18	5.25	-47.88
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794742	0	36	-1.0	-55.91	334.33	6.67	-49.24
CCCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010794743	0	48	-1.0	-53.45	409.51	7.84	-45.61
CCCCC(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010794744	0	49	-1.0	-49.17	373.54	6.89	-42.28
CCCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010794745	0	42	-1.0	-58.26	377.66	1.33	-56.93
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300010794746	0	42	-1.0	-58.98	361.60	5.82	-53.16
CCCCC(NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010794747	0	47	-1.0	-52.21	374.99	3.01	-49.20
CCCCC(NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010794748	0	43	-1.0	-55.39	378.79	5.86	-49.53
CCCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010794749	0	44	-1.0	-46.05	385.28	6.18	-39.87
CCCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010794750	0	56	-1.0	-42.25	432.06	7.46	-34.79
CCCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010794751	0	42	-1.0	-57.53	375.32	1.19	-56.34
CCCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010794752	0	37	-1.0	-41.98	324.70	5.33	-36.65
CCCCC(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010794753	0	40	-1.0	-61.79	363.33	2.11	-59.68
CCCCC(NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010794754	0	37	-1.0	-42.90	317.50	4.96	-37.94
CCCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010794755	0	41	-1.0	-45.16	367.02	5.62	-39.54
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010794756	0	46	-1.0	-46.42	390.02	6.17	-40.25
CCCCC(NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010794757	0	44	-1.0	-59.45	382.87	6.60	-52.85
CCCCC(NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010794758	0	41	-1.0	-56.49	365.33	3.20	-53.29
CCCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010794759	0	41	-1.0	-46.36	358.39	-0.71	-47.07
CCCCC(NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010794760	0	37	-1.0	-42.92	331.50	5.39	-37.53
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010794761	0	39	-1.0	-54.65	352.64	6.23	-48.42
CCCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010794762	0	40	-1.0	-47.39	352.99	5.90	-41.49
CCCCC(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010794763	0	31	-1.0	-37.52	325.99	4.87	-32.65
CCCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010794764	0	46	-1.0	-56.24	393.44	6.57	-49.67
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010794765	0	34	-1.0	-45.71	308.45	4.69	-41.02
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010794766	0	34	-1.0	-41.68	312.20	4.89	-36.79
CCCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794767	0	40	-1.0	-55.00	352.91	6.05	-48.95
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010794768	0	40	-1.0	-45.40	369.87	5.31	-40.09
CCCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010794769	0	42	-1.0	-50.71	364.83	4.26	-46.45
CCCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010794770	0	41	-1.0	-45.02	363.20	5.14	-39.88
CCCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010794771	0	37	-1.0	-58.26	348.74	5.90	-52.36
CCCCC(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010794772	0	38	-1.0	-48.63	338.05	1.55	-47.08
CCCCC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010794773	0	43	-1.0	-55.96	380.06	7.39	-48.57
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010794774	0	36	-1.0	-56.34	333.83	3.89	-52.45
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010794775	0	36	-1.0	-38.86	342.12	6.02	-32.84
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794776	0	40	-1.0	-45.41	349.05	6.17	-39.24
CCCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010794777	0	37	-1.0	-55.62	335.46	5.71	-49.91
CCCCC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010794778	0	46	-1.0	-69.37	394.88	3.06	-66.31
CCCCC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794779	0	41	-1.0	-55.55	368.12	5.03	-50.52
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010794780	0	34	-1.0	-51.86	329.95	5.70	-46.16
CCCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010794781	0	42	-1.0	-42.04	368.64	2.08	-39.96
CCCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010794782	0	43	-1.0	-49.99	379.42	6.17	-43.82
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010794783	0	42	-1.0	-48.82	361.08	5.27	-43.55
CCCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010794784	0	37	-1.0	-42.39	352.68	6.56	-35.83
CCCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010794785	0	40	-1.0	-43.33	361.78	7.35	-35.98
CCCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010794786	0	37	-1.0	-52.35	351.21	6.41	-45.94
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010794787	0	40	-1.0	-46.62	343.15	7.39	-39.23
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010794788	0	40	-1.0	-57.34	354.31	7.34	-50.00
CCCCC(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300010794789	0	48	-1.0	-55.84	411.76	6.81	-49.03
CCCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010794790	0	40	-1.0	-56.11	363.33	2.11	-54.00
CCCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010794791	0	47	-1.0	-57.56	405.91	6.11	-51.45
CCCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010794792	0	45	-1.0	-46.10	397.88	1.64	-44.46
CCCCC(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010794793	1	35	-1.0	-39.52	325.88	5.25	-34.27
CCCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010794794	0	45	-1.0	-52.80	372.86	5.22	-47.58
CCCCC(NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010794795	0	34	-1.0	-42.03	314.21	3.57	-38.46
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010794796	0	39	-1.0	-55.87	351.14	6.41	-49.46
CCCCC(NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010794797	0	34	-1.0	-53.65	313.95	3.95	-49.70
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010794798	0	37	-1.0	-56.54	339.47	5.14	-51.40
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010794799	0	40	-1.0	-55.60	355.73	6.46	-49.14
CCCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300010794800	0	46	-1.0	-51.65	371.04	5.02	-46.63
CCCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010794801	0	39	-1.0	-53.08	334.19	4.42	-48.66
CCCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010794802	0	40	-1.0	-53.93	359.99	2.14	-51.79
CCCCC(NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300010794803	0	48	-1.0	-41.70	393.90	5.39	-36.31
CCCCC(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010794804	0	42	-1.0	-62.22	359.79	5.98	-56.24
CCCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010794805	0	37	-1.0	-61.99	327.49	3.83	-58.16
CCCCC(NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300010794806	0	44	-1.0	-57.93	375.17	4.25	-53.68
CCCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010794807	0	37	-1.0	-44.12	343.67	5.83	-38.29
CCCCC(NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794808	0	35	-1.0	-51.08	312.15	5.38	-45.70
CCCCC(NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794809	0	43	-1.0	-60.28	366.93	6.34	-53.94
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010794810	0	34	-1.0	-53.05	315.71	5.13	-47.92
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300010794811	0	53	-1.0	-65.24	423.31	8.06	-57.18
CCCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010794812	0	37	-1.0	-46.56	348.54	6.20	-40.36
CCCCC(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010794813	0	41	-1.0	-54.41	373.55	4.15	-50.26
CCCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010794814	0	42	-1.0	-53.06	355.29	5.18	-47.88
CCCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010794815	0	38	-1.0	-52.38	355.35	4.92	-47.46
CCCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010794816	0	46	-1.0	-60.36	380.16	3.33	-57.03
CCCCC(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794817	0	37	-1.0	-52.35	345.76	4.26	-48.09
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794818	0	43	-1.0	-43.46	375.84	6.98	-36.48
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010794819	0	45	-1.0	-52.91	403.92	7.91	-45.00
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010794820	0	43	-1.0	-53.85	359.97	5.89	-47.96
CCCCC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794821	0	36	-1.0	-37.51	346.55	5.88	-31.63
CCCCC(NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010794822	0	38	-1.0	-42.30	353.64	5.25	-37.05
CCCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010794823	0	46	-1.0	-51.51	374.09	5.02	-46.49
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794824	0	36	-1.0	-50.82	326.50	5.24	-45.58
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010794825	0	48	-1.0	-52.25	408.62	8.06	-44.19
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010794826	0	41	-1.0	-44.21	330.82	5.36	-38.85
CCCCC(NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010794827	0	38	-1.0	-57.51	342.98	5.63	-51.88
CCCCC(NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010794828	0	37	-1.0	-57.32	329.98	2.07	-55.25
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010794829	0	42	-1.0	-53.90	361.09	4.98	-48.92
CCCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010794830	0	34	-1.0	-50.17	326.06	5.67	-44.50
CCCCC(NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010794831	0	45	-1.0	-56.46	362.17	4.06	-52.40
CCCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010794832	0	44	-1.0	-44.73	370.62	5.47	-39.26
CCCCC(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794833	0	43	-1.0	-44.90	389.18	5.72	-39.18
CCCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010794834	0	41	-1.0	-54.91	353.35	4.29	-50.62
CCCCC(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010794835	0	34	-1.0	-55.75	328.97	4.57	-51.18
CCCCC(NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010794836	0	43	-1.0	-57.90	376.85	6.40	-51.50
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010794837	0	40	-1.0	-47.89	348.01	5.86	-42.03
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010794838	0	40	-1.0	-46.95	382.45	5.81	-41.14
CCCCC(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010794839	0	37	-1.0	-44.81	336.81	2.77	-42.04
CCCCC(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010794840	0	39	-1.0	-52.98	342.11	2.20	-50.78
CCCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300010794841	0	46	-1.0	-41.22	349.64	7.57	-33.65
CCCCC(NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010794843	0	34	-1.0	-41.18	327.03	4.86	-36.32
CCCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010794844	0	39	-1.0	-51.09	362.09	5.46	-45.63
CCCCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300010794845	0	43	-1.0	-43.64	356.71	6.46	-37.18
CCCCC(NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010794846	1	33	-1.0	-47.85	327.12	2.82	-45.03
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010794847	0	39	-1.0	-55.66	342.98	6.07	-49.59
CCCCC(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010794848	0	38	-1.0	-52.32	350.93	3.43	-48.89
CCCCC(NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794849	0	39	-1.0	-60.39	339.66	6.35	-54.04
CCCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794850	0	42	-1.0	-51.08	359.46	6.45	-44.63
CCCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010794851	0	42	-1.0	-57.72	371.60	6.73	-50.99
CCCCC(NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010794852	0	39	-1.0	-49.33	355.90	4.33	-45.00
CCCCC(NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300010794853	0	40	-1.0	-59.97	343.38	5.65	-54.32
CCCCCCN1C=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010794854	0	52	-1.0	-48.64	434.92	5.55	-43.09
CCCCC(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010794856	0	37	-1.0	-49.38	332.26	5.35	-44.03
CCCCC(NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010794857	0	45	-1.0	-55.01	382.77	6.43	-48.58
CCCCC(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010794858	0	38	-1.0	-44.84	347.82	5.70	-39.14
CCCCC(NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794859	0	39	-1.0	-40.12	352.36	5.95	-34.17
CCCCC(NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010794860	0	40	-1.0	-55.50	345.39	6.02	-49.48
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010794861	0	48	-1.0	-60.31	404.34	5.74	-54.57
CCCCC(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010794862	0	37	-1.0	-72.37	336.96	4.45	-67.92
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010794863	0	37	-1.0	-41.82	331.14	5.88	-35.94
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010794864	0	37	-1.0	-54.02	330.93	5.75	-48.27
CCCCC(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010794865	0	37	-1.0	-58.20	333.61	5.37	-52.83
CCCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010794866	0	45	-1.0	-54.72	398.89	2.21	-52.51
CCCCC(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010794867	0	33	-1.0	-54.24	313.80	3.90	-50.34
CCCCC(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010794868	0	45	-1.0	-52.31	383.29	5.48	-46.83
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010794869	0	37	-1.0	-54.96	355.33	6.35	-48.61
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010794870	0	42	-1.0	-48.90	362.78	2.63	-46.27
CCCCC(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794871	0	33	-1.0	-47.85	321.94	3.71	-44.14
CCCCC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300010794872	0	40	-1.0	-49.52	342.58	4.36	-45.16
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010794873	0	39	-1.0	-43.12	347.78	3.43	-39.69
CCCCC(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010794874	0	37	-1.0	-58.81	365.87	1.63	-57.18
CCCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010794875	0	42	-1.0	-53.64	352.22	5.18	-48.46
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010794876	0	44	-1.0	-52.39	367.49	5.41	-46.98
CCCCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300010794877	0	37	-1.0	-43.61	330.00	4.99	-38.62
CCCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010794878	0	41	-1.0	-54.29	353.33	4.30	-49.99
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010794879	0	43	-1.0	-63.86	385.76	4.43	-59.43
CCCCC(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010794880	0	45	-1.0	-57.58	374.22	11.67	-45.91
CCCCC(NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010794881	0	37	-1.0	-54.37	328.29	5.66	-48.71
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010794882	0	39	-1.0	-50.24	355.01	5.58	-44.66
CCCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010794883	0	45	-1.0	-55.97	404.08	3.51	-52.46
CCCCC(NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010794884	0	47	-1.0	-46.45	395.37	7.21	-39.24
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010794885	0	38	-1.0	-55.21	356.88	6.01	-49.20
CCCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010794886	0	43	-1.0	-44.81	361.32	8.26	-36.55
CCCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010794887	0	43	-1.0	-42.38	345.25	2.86	-39.52
CCCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010794888	0	37	-1.0	-44.76	325.35	3.29	-41.47
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010794889	0	42	-1.0	-61.83	347.16	6.13	-55.70
CCCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010794890	0	40	-1.0	-60.76	343.83	6.06	-54.70
CCCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010794891	0	47	-1.0	-65.62	389.67	5.86	-59.76
CCCCC(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010794892	0	46	-1.0	-57.17	372.05	1.50	-55.67
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010794893	0	40	-1.0	-39.97	365.65	2.68	-37.29
CCCCC(NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010794894	0	43	-1.0	-44.44	382.35	6.26	-38.18
CCCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010794895	0	41	-1.0	-53.18	341.92	4.56	-48.62
CCCCC(NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794896	0	43	-1.0	-43.55	377.66	4.95	-38.60
CCCCC(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010794897	0	51	-1.0	-58.36	403.53	6.24	-52.12
CCCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300010794898	0	47	-1.0	-44.74	407.08	6.29	-38.45
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010794899	0	35	-1.0	-50.48	330.61	5.45	-45.03
CCCCC(NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010794900	0	38	-1.0	-53.21	353.49	5.10	-48.11
CCCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010794901	0	41	-1.0	-53.04	342.82	4.60	-48.44
CCCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010794902	0	39	-1.0	-57.59	345.24	4.61	-52.98
CCCCC(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010794903	0	54	-1.0	-43.44	417.11	6.16	-37.28
CCCCC(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010794904	0	48	-1.0	-42.83	390.54	4.80	-38.03
CCCCC(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010794905	0	45	-1.0	-39.02	392.62	5.19	-33.83
CCCCC(NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300010794906	0	37	-1.0	-55.41	324.65	5.28	-50.13
CCCCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300010794907	0	40	-1.0	-43.02	348.34	2.24	-40.78
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010794908	0	36	-1.0	-40.91	331.77	3.83	-37.08
CCCCC(NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010794909	1	36	-1.0	-58.71	323.16	2.51	-56.20
CCCCC(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794910	0	40	-1.0	-44.48	360.49	5.34	-39.14
CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010796001	0	46	-1.0	-56.87	365.22	6.89	-49.98
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010796002	0	31	-1.0	-47.97	308.89	4.74	-43.23
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010796003	0	31	-1.0	-41.15	307.92	4.92	-36.23
CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796004	0	34	-1.0	-40.59	316.18	4.87	-35.72
CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796005	0	34	-1.0	-59.21	294.45	4.53	-54.68
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796006	0	34	-1.0	-47.39	328.63	5.20	-42.19
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010796007	0	34	-1.0	-53.06	327.42	5.28	-47.78
CCCC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010796008	0	31	-1.0	-47.78	299.33	4.35	-43.43
CCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010796009	0	40	-1.0	-55.67	353.39	2.83	-52.84
CCCC(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010796010	0	30	-1.0	-38.79	304.53	2.95	-35.84
CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010796011	0	35	-1.0	-43.70	319.26	3.72	-39.98
CCCC(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010796012	0	40	-1.0	-52.59	361.69	6.48	-46.11
CCCC(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010796013	0	40	-1.0	-59.51	353.98	5.21	-54.30
CCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010796014	0	41	-1.0	-47.12	357.51	5.60	-41.52
CCCC(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010796015	0	42	-1.0	-74.88	356.18	4.82	-70.06
CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010796016	0	32	-1.0	-54.49	308.72	4.36	-50.13
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010796017	0	45	-1.0	-54.80	381.06	3.28	-51.52
CCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010796018	0	39	-1.0	-53.97	350.80	4.88	-49.09
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010796019	0	36	-1.0	-49.41	321.19	4.95	-44.46
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796020	0	45	-1.0	-41.53	390.45	6.42	-35.11
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010796021	0	34	-1.0	-53.75	317.86	2.58	-51.17
CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010796022	0	42	-1.0	-58.69	365.57	4.54	-54.15
CCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010796023	0	33	-1.0	-46.21	307.54	3.30	-42.91
CCCC(NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010796024	0	41	-1.0	-63.24	344.14	4.00	-59.24
CCCC(NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010796025	0	41	-1.0	-70.39	350.86	3.51	-66.88
CCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010796026	0	43	-1.0	-54.43	351.20	4.32	-50.11
CCCC(NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010796027	0	33	-1.0	-41.58	308.45	3.06	-38.52
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010796028	0	37	-1.0	-54.51	328.31	2.80	-51.71
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010796029	0	40	-1.0	-54.50	350.77	5.46	-49.04
CCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010796030	0	39	-1.0	-46.97	334.52	2.41	-44.56
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010796031	0	37	-1.0	-57.98	325.00	5.13	-52.85
CCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300010796032	0	43	-1.0	-54.48	353.80	6.35	-48.13
CCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010796033	0	39	-1.0	-39.20	330.02	6.03	-33.17
CCCC(NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796034	0	37	-1.0	-43.68	334.93	3.36	-40.32
CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010796035	0	32	-1.0	-50.72	298.54	1.75	-48.97
CCCC(NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010796036	0	33	-1.0	-54.80	306.72	2.55	-52.25
CCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010796037	0	37	-1.0	-42.29	324.83	5.17	-37.12
CCCC(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010796038	0	39	-1.0	-60.34	336.34	2.24	-58.10
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010796039	0	38	-1.0	-61.56	338.75	3.91	-57.65
CCCC(NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010796040	0	31	-1.0	-39.58	300.94	4.42	-35.16
CCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010796041	0	42	-1.0	-52.09	359.36	5.62	-46.47
CCCC(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010796042	0	34	-1.0	-39.00	319.39	5.04	-33.96
CCCC(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010796043	0	36	-1.0	-55.53	319.84	-0.05	-55.58
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010796044	0	34	-1.0	-51.53	305.63	5.11	-46.42
CCCC(NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300010796045	0	42	-1.0	-56.32	348.04	3.66	-52.66
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010796046	0	39	-1.0	-55.64	341.77	1.43	-54.21
CCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010796047	0	41	-1.0	-44.69	332.93	4.62	-40.07
CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010796048	0	39	-1.0	-57.76	347.90	3.49	-54.27
CCCC(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010796049	0	40	-1.0	-57.98	355.19	5.15	-52.83
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010796050	0	42	-1.0	-54.70	352.29	3.92	-50.78
CCCC(NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796051	0	40	-1.0	-47.31	351.61	5.13	-42.18
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010796052	0	37	-1.0	-45.07	336.94	3.55	-41.52
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010796053	0	42	-1.0	-46.93	359.77	7.92	-39.01
CCCC(NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010796054	0	41	-1.0	-59.55	362.83	4.69	-54.86
CCCC(NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010796055	0	44	-1.0	-55.51	383.54	4.86	-50.65
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010796056	0	41	-1.0	-43.71	339.14	4.70	-39.01
CCCC(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010796057	0	35	-1.0	-65.26	315.35	4.12	-61.14
CCCC(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796058	0	34	-1.0	-42.44	310.94	5.84	-36.60
CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796059	0	33	-1.0	-44.83	316.41	5.96	-38.87
CCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796060	0	36	-1.0	-48.55	310.52	6.13	-42.42
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010796061	0	33	-1.0	-46.82	319.10	5.11	-41.71
CCCC(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010796062	0	28	-1.0	-54.14	277.30	2.73	-51.41
CCCC(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010796063	0	35	-1.0	-51.40	311.29	4.07	-47.33
CCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010796064	0	39	-1.0	-54.95	322.89	5.00	-49.95
CCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010796065	0	33	-1.0	-56.27	312.09	3.13	-53.14
CCCC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010796066	0	39	-1.0	-46.47	343.21	3.08	-43.39
CCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010796067	0	36	-1.0	-46.11	308.70	4.23	-41.88
CCCC(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010796068	0	30	-1.0	-39.89	304.26	3.05	-36.84
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010796069	0	33	-1.0	-40.10	309.39	4.54	-35.56
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010796070	0	33	-1.0	-46.60	321.16	4.91	-41.69
CCCC(NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300010796071	0	40	-1.0	-60.53	355.53	2.39	-58.14
CCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796072	0	36	-1.0	-53.90	325.41	4.63	-49.27
CCCC(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796073	0	33	-1.0	-56.31	305.10	4.85	-51.46
CCCC(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796074	0	33	-1.0	-37.74	310.16	4.54	-33.20
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010796075	0	38	-1.0	-53.21	347.68	4.47	-48.74
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796076	0	33	-1.0	-55.85	312.81	5.88	-49.97
CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010796077	0	45	-1.0	-53.70	388.25	7.05	-46.65
CCCC(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010796078	0	46	-1.0	-50.10	355.01	6.15	-43.95
CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010796079	0	39	-1.0	-58.24	355.91	0.56	-57.68
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300010796080	0	39	-1.0	-59.05	340.08	5.03	-54.02
CCCC(NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010796081	0	44	-1.0	-44.90	365.68	2.70	-42.20
CCCC(NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010796082	0	40	-1.0	-55.53	357.28	5.07	-50.46
CCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010796083	0	41	-1.0	-46.15	363.78	5.40	-40.75
CCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010796084	0	53	-1.0	-52.98	406.21	6.43	-46.55
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010796085	0	37	-1.0	-44.24	349.27	5.22	-39.02
CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010796086	0	39	-1.0	-57.83	354.06	0.38	-57.45
CCCC(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010796087	0	37	-1.0	-62.28	342.07	1.30	-60.98
CCCC(NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010796088	0	34	-1.0	-43.70	297.45	4.20	-39.50
CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010796089	0	38	-1.0	-41.50	327.55	5.13	-36.37
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010796090	0	43	-1.0	-46.42	368.52	5.39	-41.03
CCCC(NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010796091	0	41	-1.0	-52.29	360.32	5.64	-46.65
CCCC(NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010796092	0	38	-1.0	-56.33	343.88	2.43	-53.90
CCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010796093	0	38	-1.0	-46.45	336.90	-1.49	-47.94
CCCC(NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010796094	0	34	-1.0	-42.81	297.55	4.23	-38.58
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010796095	0	36	-1.0	-54.84	331.30	5.45	-49.39
CCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010796096	0	37	-1.0	-45.87	329.15	5.10	-40.77
CCCC(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010796097	0	28	-1.0	-49.23	302.96	3.98	-45.25
CCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010796098	0	43	-1.0	-47.56	371.48	5.82	-41.74
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010796099	0	31	-1.0	-41.70	290.58	4.11	-37.59
CCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796100	0	37	-1.0	-55.11	331.41	5.27	-49.84
CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010796101	0	37	-1.0	-47.00	350.63	4.59	-42.41
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010796102	0	39	-1.0	-50.67	343.09	3.49	-47.18
CCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010796103	0	38	-1.0	-46.16	345.03	4.40	-41.76
CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010796104	0	34	-1.0	-58.43	327.24	5.12	-53.31
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010796105	0	35	-1.0	-44.27	317.20	0.85	-43.42
CCCC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010796106	0	40	-1.0	-55.74	358.32	6.63	-49.11
CCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010796107	0	33	-1.0	-56.27	312.09	3.13	-53.14
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010796108	0	33	-1.0	-39.95	322.77	5.24	-34.71
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796109	0	37	-1.0	-43.95	322.10	5.27	-38.68
CCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010796110	0	34	-1.0	-56.04	314.20	4.92	-51.12
CCCC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010796111	0	43	-1.0	-69.67	373.62	2.27	-67.40
CCCC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010796112	0	38	-1.0	-55.43	346.38	4.28	-51.15
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010796113	0	31	-1.0	-39.91	311.08	5.05	-34.86
CCCC(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010796114	0	39	-1.0	-41.58	337.76	3.91	-37.67
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010796115	0	39	-1.0	-49.21	346.47	1.17	-48.04
CCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796116	0	40	-1.0	-50.19	357.92	5.39	-44.80
CCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010796117	0	39	-1.0	-56.60	336.07	4.41	-52.19
CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010796118	0	34	-1.0	-42.41	331.18	5.77	-36.64
CCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010796119	0	37	-1.0	-42.33	338.02	6.55	-35.78
CCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010796120	0	34	-1.0	-52.12	329.39	5.64	-46.48
CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010796121	0	37	-1.0	-46.63	321.65	6.61	-40.02
CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010796122	0	37	-1.0	-57.53	332.80	6.54	-50.99
CCCC(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300010796123	0	45	-1.0	-55.86	390.26	6.03	-49.83
CCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010796124	0	37	-1.0	-56.14	341.83	1.33	-54.81
CCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010796125	0	44	-1.0	-57.66	384.41	5.33	-52.33
CCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010796126	0	42	-1.0	-45.17	373.05	0.82	-44.35
CCCC(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010796127	1	32	-1.0	-39.63	304.38	4.47	-35.16
CCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010796128	0	42	-1.0	-52.77	351.36	4.44	-48.33
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010796129	0	36	-1.0	-55.86	329.85	5.63	-50.23
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010796130	0	34	-1.0	-56.57	317.95	4.36	-52.21
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796131	0	37	-1.0	-55.61	334.21	5.68	-49.93
CCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300010796132	0	43	-1.0	-51.65	349.54	4.24	-47.41
CCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010796133	0	37	-1.0	-59.07	337.70	1.29	-57.78
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010796134	0	47	-1.0	-44.21	397.41	1.50	-42.71
CCCC(NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300010796135	0	45	-1.0	-41.73	372.40	4.61	-37.12
CCCC(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010796136	0	39	-1.0	-62.09	338.24	5.20	-56.89
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010796137	0	46	-1.0	-61.68	398.73	2.92	-58.76
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300010796138	0	41	-1.0	-57.98	353.67	3.47	-54.51
CCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010796139	0	34	-1.0	-42.93	318.84	5.02	-37.91
CCCC(NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796140	0	32	-1.0	-50.17	286.27	4.29	-45.88
CCCC(NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796141	0	40	-1.0	-60.37	345.43	5.56	-54.81
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010796142	0	31	-1.0	-40.07	296.18	4.49	-35.58
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC)C(=O)[O-]	REAL300010796143	0	50	-1.0	-52.80	401.37	7.60	-45.20
CCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010796144	0	34	-1.0	-46.45	327.04	5.42	-41.03
CCCC(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010796145	0	38	-1.0	-53.31	339.43	3.00	-50.31
CCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010796146	0	39	-1.0	-53.31	334.03	4.38	-48.93
CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010796147	0	35	-1.0	-40.08	331.14	4.15	-35.93
CCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010796148	0	43	-1.0	-59.85	362.01	2.70	-57.15
CCCC(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796149	0	34	-1.0	-52.60	324.50	3.46	-49.14
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796150	0	40	-1.0	-43.46	354.34	6.20	-37.26
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010796151	0	42	-1.0	-53.08	382.42	7.12	-45.96
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010796152	0	40	-1.0	-53.98	338.47	5.12	-48.86
CCCC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796153	0	33	-1.0	-37.61	325.05	5.10	-32.51
CCCC(NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010796154	0	35	-1.0	-48.61	331.85	4.54	-44.07
CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010796155	0	43	-1.0	-51.56	352.60	4.24	-47.32
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796156	0	33	-1.0	-41.66	305.67	4.54	-37.12
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010796157	0	45	-1.0	-52.34	387.12	7.28	-45.06
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010796158	0	38	-1.0	-44.23	309.33	4.58	-39.65
CCCC(NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796159	0	45	-1.0	-51.53	402.98	2.77	-48.76
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010796160	0	34	-1.0	-57.69	308.73	1.27	-56.42
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010796161	0	39	-1.0	-42.82	338.39	4.23	-38.59
CCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010796162	0	31	-1.0	-50.44	304.80	4.86	-45.58
CCCC(NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010796163	0	42	-1.0	-56.68	340.60	3.26	-53.42
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010796164	0	41	-1.0	-44.78	349.12	4.69	-40.09
CCCC(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796165	0	40	-1.0	-46.22	372.90	5.06	-41.16
CCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010796166	0	38	-1.0	-44.65	332.86	3.56	-41.09
CCCC(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010796167	0	31	-1.0	-55.77	307.47	3.78	-51.99
CCCC(NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010796168	0	40	-1.0	-58.13	355.35	5.62	-52.51
CCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010796169	0	37	-1.0	-49.08	330.56	4.90	-44.18
CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010796170	0	37	-1.0	-46.94	360.95	5.03	-41.91
CCCC(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010796171	0	34	-1.0	-54.25	315.57	1.96	-52.29
CCCC(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010796172	0	36	-1.0	-52.85	320.37	1.44	-51.41
CCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300010796173	0	43	-1.0	-41.29	328.15	6.79	-34.50
CCCC(NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010796175	0	31	-1.0	-41.17	305.54	4.09	-37.08
CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010796176	0	36	-1.0	-51.15	340.60	4.68	-46.47
CCCC(NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010796177	1	30	-1.0	-48.06	305.86	2.01	-46.05
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010796178	0	36	-1.0	-55.60	321.63	5.30	-50.30
CCCC(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010796179	0	35	-1.0	-52.40	329.43	2.65	-49.75
CCCC(NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796180	0	36	-1.0	-60.71	318.41	5.56	-55.15
CCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796181	0	39	-1.0	-52.63	341.29	5.71	-46.92
CCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010796182	0	39	-1.0	-57.92	350.10	5.95	-51.97
CCCC(NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010796183	0	36	-1.0	-45.45	334.21	3.57	-41.88
CCCCCCN1C=C(S(=O)(=O)NC(CCC)C(=O)[O-])C(=O)NC1=O	REAL300010796184	0	49	-1.0	-49.27	413.78	4.74	-44.53
CCCC(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010796186	0	34	-1.0	-48.26	307.43	4.53	-43.73
CCCC(NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010796187	0	42	-1.0	-55.06	361.26	5.65	-49.41
CCCC(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010796188	0	35	-1.0	-44.87	326.32	4.92	-39.95
CCCC(NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796189	0	36	-1.0	-39.65	328.60	5.13	-34.52
CCCC(NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010796190	0	37	-1.0	-55.46	323.89	5.24	-50.22
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010796191	0	46	-1.0	-62.71	399.83	1.30	-61.41
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010796192	1	46	-1.0	-66.04	394.44	0.91	-65.13
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1)C(=O)[O-]	REAL300010796193	0	45	-1.0	-54.51	398.89	2.22	-52.29
CCCC(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010796194	0	45	-1.0	-59.97	382.60	4.98	-54.99
CCCC(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010796195	0	34	-1.0	-71.90	315.28	3.70	-68.20
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010796196	0	34	-1.0	-41.88	309.65	5.10	-36.78
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010796197	0	34	-1.0	-53.96	309.42	4.97	-48.99
CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010796198	0	34	-1.0	-58.34	312.11	4.58	-53.76
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010796199	0	42	-1.0	-54.74	377.39	1.44	-53.30
CCCC(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010796200	0	30	-1.0	-54.28	292.55	3.10	-51.18
CCCC(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010796201	0	42	-1.0	-52.21	361.57	4.71	-47.50
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010796202	0	34	-1.0	-55.15	333.83	5.57	-49.58
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010796203	0	39	-1.0	-48.20	338.75	1.96	-46.24
CCCC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010796204	0	31	-1.0	-37.88	304.59	5.19	-32.69
CCCC(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796205	0	30	-1.0	-47.93	300.48	2.93	-45.00
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010796206	0	36	-1.0	-44.45	328.54	2.67	-41.78
CCCC(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010796207	0	34	-1.0	-58.85	344.36	0.85	-58.00
CCCC(NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010796208	0	50	-1.0	-62.23	432.56	4.76	-57.47
CCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010796209	0	39	-1.0	-53.69	330.73	4.40	-49.29
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010796210	0	41	-1.0	-52.53	346.00	4.63	-47.90
CCCC(NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010796211	0	45	-1.0	-60.64	412.79	1.44	-59.20
CCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010796212	0	38	-1.0	-54.66	332.07	3.50	-51.16
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010796213	0	40	-1.0	-51.89	360.78	3.35	-48.54
CCCC(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010796214	0	42	-1.0	-57.65	352.33	10.84	-46.81
CCCC(NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010796215	0	34	-1.0	-54.59	307.02	4.86	-49.73
CCCC(NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010796216	0	36	-1.0	-50.73	336.03	4.87	-45.86
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010796217	0	42	-1.0	-55.80	382.34	2.76	-53.04
CCCC(NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010796218	0	44	-1.0	-46.52	373.87	6.43	-40.09
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010796219	0	35	-1.0	-55.58	335.62	5.21	-50.37
CCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010796220	0	40	-1.0	-44.79	339.82	7.48	-37.31
CCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010796221	0	34	-1.0	-43.83	301.59	2.46	-41.37
CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010796222	0	39	-1.0	-61.75	325.66	5.35	-56.40
CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010796223	0	37	-1.0	-60.40	322.08	5.31	-55.09
CCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010796224	0	44	-1.0	-65.75	368.42	5.09	-60.66
CCCC(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010796225	0	43	-1.0	-41.66	350.05	0.77	-40.89
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010796226	0	37	-1.0	-40.99	346.41	1.92	-39.07
CCCC(NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796227	0	40	-1.0	-43.09	358.59	5.45	-37.64
CCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010796228	0	38	-1.0	-42.90	317.17	3.75	-39.15
CCCC(NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796229	0	40	-1.0	-43.55	356.16	4.17	-39.38
CCCC(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010796230	0	48	-1.0	-59.50	386.41	5.43	-54.07
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300010796231	0	44	-1.0	-53.42	387.22	5.50	-47.92
CCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010796232	0	32	-1.0	-50.37	308.83	4.69	-45.68
CCCC(NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010796233	0	35	-1.0	-38.35	316.82	4.31	-34.04
CCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010796234	0	38	-1.0	-52.99	321.32	3.82	-49.17
CCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010796235	0	36	-1.0	-57.95	323.98	3.81	-54.14
CCCC(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010796236	0	51	-1.0	-43.49	395.62	5.38	-38.11
CCCC(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010796237	0	45	-1.0	-58.86	370.11	4.01	-54.85
CCCC(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010796238	0	42	-1.0	-38.90	368.31	4.34	-34.56
CCCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300010796239	0	37	-1.0	-42.16	324.58	1.44	-40.72
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010796240	0	33	-1.0	-42.37	312.53	3.08	-39.29
CCCC(NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010796241	1	33	-1.0	-53.30	317.51	1.58	-51.72
CCCC(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796242	0	37	-1.0	-44.55	338.99	4.56	-39.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010797001	0	32	-1.0	-43.92	281.58	5.90	-38.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010797002	0	32	-1.0	-48.49	293.22	6.73	-41.76
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010797003	0	32	-1.0	-51.64	263.03	5.62	-46.02
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797004	0	44	-1.0	-58.96	369.26	7.00	-51.96
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797005	0	44	-1.0	-63.20	357.93	7.50	-55.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010797006	0	32	-1.0	-63.05	269.12	6.11	-56.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010797007	0	31	-1.0	-52.71	272.58	4.29	-48.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010797008	0	32	-1.0	-46.90	279.21	5.99	-40.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010797009	0	35	-1.0	-51.91	301.78	7.27	-44.64
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010797010	0	35	-1.0	-51.57	300.43	6.87	-44.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1NC(C)=O	REAL300010797011	0	43	-1.0	-70.83	344.35	4.04	-66.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010797012	0	36	-1.0	-51.15	305.63	5.50	-45.65
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300010797013	0	47	-1.0	-62.17	338.14	8.87	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010797014	0	41	-1.0	-52.99	323.77	5.64	-47.35
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797015	0	37	-1.0	-63.97	304.67	6.88	-57.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010797016	0	29	-1.0	-48.66	276.01	5.44	-43.22
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010797017	0	38	-1.0	-56.72	320.88	8.21	-48.51
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797018	0	36	-1.0	-58.33	312.58	6.11	-52.22
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797019	0	50	-1.0	-60.17	368.01	9.68	-50.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010797020	0	48	-1.0	-54.56	361.48	9.52	-45.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010797021	0	35	-1.0	-49.56	298.38	6.71	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010797022	0	42	-1.0	-56.17	323.40	8.18	-47.99
COC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797023	0	40	-1.0	-64.16	320.74	4.78	-59.38
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010797024	0	40	-1.0	-53.77	319.67	4.89	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010797025	0	42	-1.0	-51.27	356.86	5.30	-45.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010797026	0	39	-1.0	-58.02	306.20	7.59	-50.43
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797027	0	39	-1.0	-54.14	334.88	3.82	-50.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010797028	0	40	-1.0	-56.57	317.30	8.00	-48.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010797029	0	32	-1.0	-54.42	275.44	5.85	-48.57
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797030	0	42	-1.0	-52.52	332.10	5.06	-47.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010797031	0	29	-1.0	-49.34	283.85	5.74	-43.60
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797032	0	47	-1.0	-54.86	363.10	9.22	-45.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010797033	0	38	-1.0	-57.27	292.90	7.37	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010797034	0	42	-1.0	-56.37	333.80	9.12	-47.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010797035	0	35	-1.0	-45.25	301.83	6.59	-38.66
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797036	0	35	-1.0	-54.21	283.14	6.28	-47.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010797037	0	32	-1.0	-53.36	302.38	7.58	-45.78
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797038	0	47	-1.0	-54.86	350.07	8.50	-46.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797039	0	35	-1.0	-55.97	296.13	6.77	-49.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010797040	0	32	-1.0	-46.16	279.66	5.86	-40.30
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797041	0	35	-1.0	-52.48	283.77	6.16	-46.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010797042	0	32	-1.0	-48.56	296.00	6.45	-42.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010797043	0	35	-1.0	-53.50	307.78	6.78	-46.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010797044	0	32	-1.0	-45.98	289.40	6.15	-39.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010797045	0	32	-1.0	-46.97	275.09	5.60	-41.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010797046	0	33	-1.0	-45.17	276.93	4.07	-41.10
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797047	0	35	-1.0	-50.98	287.65	6.39	-44.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010797048	0	35	-1.0	-44.68	305.24	6.76	-37.92
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010797049	0	37	-1.0	-61.23	295.63	6.58	-54.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010797050	0	35	-1.0	-51.59	291.44	6.82	-44.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010797051	0	43	-1.0	-56.67	366.22	9.17	-47.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010797052	0	32	-1.0	-47.95	278.59	5.96	-41.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010797053	0	32	-1.0	-45.77	271.58	5.75	-40.02
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797054	0	38	-1.0	-49.39	312.28	6.06	-43.33
CC1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797055	0	35	-1.0	-55.32	290.45	6.45	-48.87
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797056	0	36	-1.0	-49.56	296.66	5.06	-44.50
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797057	0	35	-1.0	-58.10	287.38	6.40	-51.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010797058	0	32	-1.0	-55.43	275.55	6.19	-49.24
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010797059	0	32	-1.0	-53.05	287.95	6.35	-46.70
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)C=C1	REAL300010797060	0	47	-1.0	-54.26	378.02	7.87	-46.39
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797061	0	39	-1.0	-58.71	330.43	5.22	-53.49
CN(C1CCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797062	0	43	-1.0	-52.68	314.19	6.01	-46.67
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010797063	0	48	-1.0	-56.95	362.33	8.34	-48.61
N#CC1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797064	0	36	-1.0	-57.36	307.48	6.79	-50.57
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010797065	0	35	-1.0	-60.10	304.65	7.66	-52.44
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010797066	0	35	-1.0	-48.08	318.55	7.38	-40.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010797067	0	42	-1.0	-57.24	320.75	6.69	-50.55
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010797068	0	39	-1.0	-49.44	311.34	3.17	-46.27
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010797069	0	40	-1.0	-52.69	322.77	3.09	-49.60
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797070	0	37	-1.0	-49.08	291.70	6.48	-42.60
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797071	0	39	-1.0	-60.16	318.24	4.37	-55.79
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797072	0	37	-1.0	-46.63	286.31	6.32	-40.31
CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010797073	0	32	-1.0	-62.41	279.18	5.89	-56.52
CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797074	0	35	-1.0	-56.98	288.49	6.42	-50.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797075	0	38	-1.0	-58.03	332.20	6.85	-51.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010797076	0	31	-1.0	-56.65	278.78	5.15	-51.50
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797077	0	41	-1.0	-68.67	344.67	3.92	-64.75
CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797078	0	39	-1.0	-56.34	322.25	4.69	-51.65
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010797079	0	46	-1.0	-68.45	353.03	7.40	-61.05
CS(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797080	0	37	-1.0	-63.64	311.85	1.72	-61.92
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300010797081	0	42	-1.0	-52.98	321.69	6.14	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010797082	0	32	-1.0	-52.61	280.12	6.08	-46.53
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010797083	0	43	-1.0	-51.80	343.98	5.20	-46.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010797084	0	35	-1.0	-51.24	307.92	7.03	-44.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010797085	0	32	-1.0	-51.53	297.08	6.77	-44.76
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797086	0	45	-1.0	-63.27	363.35	5.50	-57.77
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797087	0	46	-1.0	-65.53	373.47	4.51	-61.02
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797088	0	40	-1.0	-50.69	317.46	7.79	-42.90
CC(C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797089	0	44	-1.0	-55.21	340.79	8.40	-46.81
COCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797090	0	42	-1.0	-54.66	336.21	6.22	-48.44
COCCN(CCOC)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797091	0	44	-1.0	-50.95	331.22	2.79	-48.16
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797092	0	35	-1.0	-52.10	293.47	6.72	-45.38
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797093	0	48	-1.0	-54.11	371.54	8.04	-46.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010797094	0	46	-1.0	-54.93	354.97	7.96	-46.97
CC(C)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797095	0	45	-1.0	-54.55	352.58	7.43	-47.12
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797096	0	42	-1.0	-52.93	332.48	6.74	-46.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797097	0	36	-1.0	-49.97	306.46	5.55	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010797098	0	36	-1.0	-52.96	316.22	5.82	-47.14
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797099	0	39	-1.0	-54.37	310.48	5.74	-48.63
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300010797100	0	45	-1.0	-54.53	350.49	7.30	-47.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010797101	0	39	-1.0	-54.72	293.23	5.16	-49.56
COCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797102	0	43	-1.0	-57.61	344.60	5.21	-52.40
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010797103	0	35	-1.0	-53.41	291.94	6.43	-46.98
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797104	0	43	-1.0	-56.02	351.24	5.37	-50.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010797105	0	47	-1.0	-58.51	365.81	5.21	-53.30
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=C1	REAL300010797106	0	35	-1.0	-51.55	286.74	6.38	-45.17
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797107	0	38	-1.0	-65.15	332.68	3.46	-61.69
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797108	0	38	-1.0	-60.58	320.01	7.35	-53.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010797109	0	37	-1.0	-59.36	300.66	6.08	-53.28
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797110	0	36	-1.0	-60.67	297.97	6.30	-54.37
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797111	0	36	-1.0	-50.62	284.20	6.20	-44.42
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797112	0	33	-1.0	-46.05	283.19	5.86	-40.19
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797113	0	36	-1.0	-45.18	315.48	6.86	-38.32
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC	REAL300010797114	0	42	-1.0	-52.23	343.02	6.39	-45.84
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797115	0	41	-1.0	-51.96	332.18	6.92	-45.04
COC(=O)CCN(C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797116	0	39	-1.0	-56.93	304.40	4.13	-52.80
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797117	0	42	-1.0	-56.13	332.08	1.24	-54.89
CN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797118	0	41	-1.0	-45.20	304.76	3.55	-41.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010797119	0	41	-1.0	-69.41	328.30	5.78	-63.63
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010797120	0	41	-1.0	-60.37	333.76	6.85	-53.52
CCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010797121	0	41	-1.0	-53.49	318.66	5.72	-47.77
CC(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797122	0	38	-1.0	-57.93	305.69	4.72	-53.21
CC(C)CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797123	0	41	-1.0	-65.14	326.25	7.61	-57.53
CC(C)N1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797124	0	38	-1.0	-64.86	307.13	6.74	-58.12
CC(C)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300010797125	0	38	-1.0	-53.33	304.68	4.08	-49.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797126	0	44	-1.0	-55.81	311.00	8.12	-47.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010797127	0	45	-1.0	-58.04	356.08	7.96	-50.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797128	0	40	-1.0	-70.81	326.86	5.07	-65.74
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1Cl	REAL300010797129	0	39	-1.0	-64.57	345.67	5.73	-58.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010797130	0	39	-1.0	-54.41	325.95	6.92	-47.49
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010797131	0	38	-1.0	-44.09	328.94	6.12	-37.97
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010797132	0	36	-1.0	-47.28	307.06	5.44	-41.84
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010797133	0	42	-1.0	-57.22	345.01	7.03	-50.19
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Br)O1	REAL300010797134	0	35	-1.0	-51.40	311.51	4.60	-46.80
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(Br)S1	REAL300010797135	0	32	-1.0	-53.80	278.55	5.61	-48.19
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300010797136	0	36	-1.0	-64.79	304.36	4.05	-60.74
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797137	0	33	-1.0	-51.44	297.13	6.49	-44.95
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010797138	0	40	-1.0	-47.81	299.79	7.48	-40.33
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797139	0	38	-1.0	-60.99	326.65	6.60	-54.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797140	0	41	-1.0	-66.18	337.44	3.72	-62.46
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010797141	0	36	-1.0	-51.69	305.91	7.11	-44.58
N#CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010797142	0	33	-1.0	-53.68	297.17	6.49	-47.19
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797143	0	48	-1.0	-59.78	370.42	7.43	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010797144	0	43	-1.0	-72.98	348.99	5.68	-67.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010797145	0	44	-1.0	-56.53	368.64	3.56	-52.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797146	0	40	-1.0	-56.85	336.26	1.88	-54.97
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797147	0	42	-1.0	-61.20	356.07	4.60	-56.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010797148	0	35	-1.0	-56.43	301.47	5.11	-51.32
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797149	0	38	-1.0	-52.12	319.83	5.20	-46.92
CC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797150	0	34	-1.0	-53.45	286.92	3.89	-49.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010797151	0	34	-1.0	-69.99	286.35	7.60	-62.39
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010797152	0	35	-1.0	-49.86	320.13	7.45	-42.41
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)N1	REAL300010797153	0	45	-1.0	-56.05	360.43	6.55	-49.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010797154	0	32	-1.0	-56.59	275.48	6.12	-50.47
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)=CS1	REAL300010797155	0	38	-1.0	-56.51	341.91	6.28	-50.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010797156	0	52	-1.0	-52.57	394.21	9.33	-43.24
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010797157	0	42	-1.0	-54.33	357.75	5.29	-49.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010797158	0	32	-1.0	-49.78	288.28	6.81	-42.97
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797159	0	41	-1.0	-61.97	331.44	6.86	-55.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010797160	0	34	-1.0	-58.36	293.11	7.33	-51.03
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010797161	0	40	-1.0	-53.78	327.67	4.99	-48.79
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010797162	0	43	-1.0	-55.53	335.29	5.41	-50.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010797163	0	34	-1.0	-58.80	305.27	8.18	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010797164	0	35	-1.0	-60.54	297.57	6.03	-54.51
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797165	0	33	-1.0	-46.15	282.82	5.91	-40.24
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797166	0	33	-1.0	-46.45	293.18	6.36	-40.09
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010797167	0	35	-1.0	-55.61	300.16	6.86	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797168	0	35	-1.0	-50.46	268.55	5.83	-44.63
COC(=O)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797169	0	38	-1.0	-53.79	320.34	4.41	-49.38
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010797170	0	38	-1.0	-53.28	306.89	7.78	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010797171	0	37	-1.0	-49.20	313.57	7.37	-41.83
CC1=C(Br)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797172	0	32	-1.0	-48.32	293.44	5.98	-42.34
N#CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797173	0	36	-1.0	-59.85	301.90	6.89	-52.96
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(F)=C1F	REAL300010797174	0	38	-1.0	-47.52	326.29	6.42	-41.10
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010797175	0	50	-1.0	-51.62	345.80	7.09	-44.53
CC1=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C2C=C1	REAL300010797176	0	40	-1.0	-59.25	322.68	6.55	-52.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010797177	0	43	-1.0	-56.59	338.09	4.18	-52.41
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Br	REAL300010797178	0	35	-1.0	-52.45	283.09	6.18	-46.27
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797179	0	38	-1.0	-65.06	316.32	6.40	-58.66
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010797180	0	40	-1.0	-55.17	318.20	3.33	-51.84
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010797181	0	38	-1.0	-49.29	316.18	6.43	-42.86
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797182	0	38	-1.0	-52.86	315.51	7.21	-45.65
COCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797183	0	39	-1.0	-49.80	320.74	3.26	-46.54
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010797184	0	45	-1.0	-57.01	343.08	7.65	-49.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797185	0	42	-1.0	-60.23	334.56	7.08	-53.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010797186	0	37	-1.0	-56.45	308.08	5.88	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010797187	0	39	-1.0	-52.95	320.78	6.70	-46.25
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CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797190	0	46	-1.0	-57.61	366.45	6.17	-51.44
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797191	0	48	-1.0	-52.63	375.48	8.30	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010797192	0	34	-1.0	-67.91	287.62	7.71	-60.20
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797193	0	38	-1.0	-54.33	320.28	6.37	-47.96
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010797194	0	38	-1.0	-48.02	330.31	6.65	-41.37
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797195	0	42	-1.0	-68.65	345.94	6.15	-62.50
COC(=O)C1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797196	0	35	-1.0	-47.96	308.37	5.38	-42.58
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797197	0	44	-1.0	-66.25	335.97	7.05	-59.20
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010797198	0	41	-1.0	-56.78	331.48	6.90	-49.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797199	0	38	-1.0	-62.15	323.75	6.44	-55.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010797200	0	42	-1.0	-56.78	304.55	7.66	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010797201	0	38	-1.0	-57.03	308.21	7.14	-49.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010797202	0	31	-1.0	-49.80	277.04	4.46	-45.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010797203	0	36	-1.0	-52.72	316.01	7.17	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010797204	0	32	-1.0	-51.49	287.95	6.34	-45.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010797205	0	39	-1.0	-64.00	325.34	3.56	-60.44
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797206	0	35	-1.0	-50.83	281.29	6.31	-44.52
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010797207	0	36	-1.0	-50.27	309.81	5.64	-44.63
CC1(C)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010797208	0	43	-1.0	-54.96	338.12	6.94	-48.02
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797209	0	40	-1.0	-56.89	339.23	2.49	-54.40
CCC(=O)NCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC	REAL300010797210	0	49	-1.0	-55.51	391.83	4.85	-50.66
COC1=CC=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797211	0	36	-1.0	-55.62	294.81	5.02	-50.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797212	0	41	-1.0	-66.57	343.11	4.13	-62.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010797213	0	34	-1.0	-50.29	308.93	5.60	-44.69
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797214	0	37	-1.0	-66.57	312.33	6.33	-60.24
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797215	0	33	-1.0	-47.27	302.80	6.67	-40.60
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010797216	0	39	-1.0	-49.77	332.70	6.58	-43.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010797217	0	37	-1.0	-47.35	311.64	1.12	-46.23
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2S1	REAL300010797218	0	46	-1.0	-54.81	373.92	7.63	-47.18
COC(=O)CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797219	0	41	-1.0	-59.16	328.18	6.18	-52.98
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797220	0	37	-1.0	-59.06	315.07	5.49	-53.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010797221	0	37	-1.0	-53.35	296.64	4.99	-48.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010797222	0	40	-1.0	-63.23	323.74	7.18	-56.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010797223	0	38	-1.0	-55.50	305.82	2.32	-53.18
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797224	0	42	-1.0	-52.23	340.45	6.59	-45.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010797225	0	37	-1.0	-59.55	307.89	5.89	-53.66
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010797226	0	42	-1.0	-54.40	324.82	6.43	-47.97
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797227	0	40	-1.0	-64.99	337.56	1.87	-63.12
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797228	0	41	-1.0	-62.42	329.72	6.89	-55.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010797229	0	36	-1.0	-55.92	293.73	5.66	-50.26
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797230	0	36	-1.0	-52.76	299.83	6.73	-46.03
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797231	0	44	-1.0	-53.62	357.74	8.09	-45.53
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010797232	0	38	-1.0	-56.10	325.35	7.40	-48.70
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797233	0	43	-1.0	-64.78	344.43	7.79	-56.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010797234	0	31	-1.0	-44.90	284.14	4.61	-40.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010797235	0	38	-1.0	-56.67	295.75	5.08	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010797236	0	37	-1.0	-54.65	287.94	5.48	-49.17
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797237	0	35	-1.0	-51.79	298.03	6.82	-44.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010797238	0	40	-1.0	-53.16	319.56	4.89	-48.27
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797239	0	48	-1.0	-66.64	375.20	6.77	-59.87
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OCC	REAL300010797240	0	46	-1.0	-53.43	363.10	6.72	-46.71
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(=O)N(C)C1=O	REAL300010797241	0	38	-1.0	-46.48	311.48	4.48	-42.00
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797242	0	38	-1.0	-53.44	296.84	4.86	-48.58
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797243	0	37	-1.0	-57.17	313.83	0.67	-56.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010797244	0	43	-1.0	-68.64	337.97	6.88	-61.76
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797245	0	46	-1.0	-60.00	350.82	6.98	-53.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010797246	0	40	-1.0	-62.45	309.50	7.08	-55.37
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797247	0	38	-1.0	-50.99	314.39	6.37	-44.62
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797248	0	43	-1.0	-69.68	339.44	6.72	-62.96
CNC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797249	0	39	-1.0	-60.60	316.05	3.99	-56.61
NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797250	0	36	-1.0	-60.39	294.12	2.49	-57.90
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2CC1C	REAL300010797251	0	46	-1.0	-68.55	353.82	7.28	-61.27
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300010797252	0	35	-1.0	-54.65	297.02	5.50	-49.15
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797253	0	35	-1.0	-50.94	308.14	5.44	-45.50
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010797254	0	36	-1.0	-43.96	317.55	6.88	-37.08
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797255	0	38	-1.0	-63.97	315.82	4.58	-59.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010797256	0	38	-1.0	-55.50	317.04	2.70	-52.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010797257	0	38	-1.0	-55.91	311.68	2.91	-53.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010797258	0	38	-1.0	-53.27	322.56	3.15	-50.12
CC1=CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2N=C1	REAL300010797259	0	40	-1.0	-60.59	316.98	7.23	-53.36
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010797260	0	38	-1.0	-62.73	305.86	6.12	-56.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797261	0	36	-1.0	-54.06	308.41	6.00	-48.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010797262	0	36	-1.0	-52.42	307.76	5.94	-46.48
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797263	0	37	-1.0	-55.40	315.13	0.65	-54.75
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797264	0	38	-1.0	-52.23	315.28	6.37	-45.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010797265	0	44	-1.0	-54.45	369.69	3.53	-50.92
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010797266	0	37	-1.0	-50.18	314.84	7.08	-43.10
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010797267	0	35	-1.0	-51.08	293.03	6.48	-44.60
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1	REAL300010797268	0	35	-1.0	-51.77	284.48	6.29	-45.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010797269	0	38	-1.0	-64.25	316.15	2.05	-62.20
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797270	0	38	-1.0	-60.41	320.35	3.23	-57.18
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C1=O	REAL300010797271	0	39	-1.0	-47.78	326.46	4.94	-42.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797272	0	40	-1.0	-54.54	323.00	7.02	-47.52
CC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797273	0	35	-1.0	-51.47	270.15	5.93	-45.54
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010797274	0	41	-1.0	-55.06	316.28	6.82	-48.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300010797275	0	40	-1.0	-55.77	308.06	6.31	-49.46
CN1C(=O)OC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797276	0	38	-1.0	-61.80	314.75	5.63	-56.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010797277	0	37	-1.0	-49.16	307.42	7.19	-41.97
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797278	0	40	-1.0	-66.72	313.72	8.07	-58.65
CCOC(=O)C1CCCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010797279	0	46	-1.0	-58.94	353.75	6.32	-52.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010797280	0	36	-1.0	-48.10	306.49	5.50	-42.60
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797281	0	43	-1.0	-56.06	355.70	3.73	-52.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010797282	0	32	-1.0	-46.02	269.49	5.66	-40.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010797283	0	34	-1.0	-58.13	296.62	7.35	-50.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010797284	0	44	-1.0	-52.66	346.18	4.93	-47.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010797285	0	42	-1.0	-60.14	327.53	9.25	-50.89
CC1CC(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010797286	0	43	-1.0	-52.69	319.89	5.96	-46.73
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797287	0	41	-1.0	-51.91	337.14	7.30	-44.61
CCOC(=O)N1CCC(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797288	0	46	-1.0	-55.00	358.13	5.91	-49.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010797289	0	32	-1.0	-50.53	276.37	6.23	-44.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010797290	0	32	-1.0	-50.38	280.94	6.34	-44.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010797291	0	34	-1.0	-48.15	287.87	6.38	-41.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010797292	0	38	-1.0	-57.40	305.61	7.98	-49.42
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797293	0	39	-1.0	-66.52	316.29	4.65	-61.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797294	0	37	-1.0	-58.38	304.96	6.88	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010797295	0	34	-1.0	-65.40	276.30	6.78	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797296	0	39	-1.0	-58.12	334.44	7.03	-51.09
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797297	0	39	-1.0	-53.12	310.98	5.93	-47.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010797298	0	32	-1.0	-46.43	268.85	5.54	-40.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010797299	0	32	-1.0	-49.32	272.57	5.84	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010797300	0	38	-1.0	-54.62	305.40	4.85	-49.77
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010797301	0	41	-1.0	-60.54	312.06	7.97	-52.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797302	0	47	-1.0	-54.46	352.86	8.55	-45.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010797303	0	32	-1.0	-51.67	292.86	6.67	-45.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010797304	0	32	-1.0	-53.58	273.65	5.81	-47.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010797305	0	32	-1.0	-51.64	288.71	6.45	-45.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010797306	0	35	-1.0	-48.63	299.56	6.72	-41.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010797307	0	35	-1.0	-56.68	282.96	6.72	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010797308	0	35	-1.0	-44.99	312.82	7.11	-37.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010797309	0	32	-1.0	-49.86	277.24	6.22	-43.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010797310	0	35	-1.0	-52.25	310.70	6.94	-45.31
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797311	0	37	-1.0	-59.89	300.86	6.12	-53.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010797312	0	32	-1.0	-51.76	283.54	6.26	-45.50
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797313	0	37	-1.0	-56.51	300.98	6.10	-50.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=CO1	REAL300010797314	0	41	-1.0	-62.39	336.01	4.78	-57.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010797315	0	31	-1.0	-45.91	287.81	4.77	-41.14
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010797316	0	35	-1.0	-54.53	290.05	6.07	-48.46
COC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797317	0	36	-1.0	-55.85	292.54	4.92	-50.93
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010797318	0	41	-1.0	-53.08	331.79	7.78	-45.30
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797319	0	41	-1.0	-60.21	336.60	7.16	-53.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010797320	0	39	-1.0	-55.20	310.32	7.75	-47.45
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=N2)C=C1	REAL300010797321	0	42	-1.0	-58.00	342.90	7.44	-50.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010797322	0	43	-1.0	-65.13	339.84	6.72	-58.41
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797323	0	33	-1.0	-46.14	281.97	5.79	-40.35
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797324	0	36	-1.0	-50.62	294.26	6.58	-44.04
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010797325	0	46	-1.0	-54.15	358.73	5.86	-48.29
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300010797326	0	40	-1.0	-50.15	334.47	6.80	-43.35
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010797327	0	37	-1.0	-49.80	305.70	6.90	-42.90
COC(=O)C1=COC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797328	0	35	-1.0	-53.33	301.81	5.01	-48.32
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797329	0	43	-1.0	-56.74	348.73	6.40	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010797330	0	34	-1.0	-53.82	292.74	5.16	-48.66
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797331	0	42	-1.0	-60.71	338.72	6.42	-54.29
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300010797332	0	33	-1.0	-55.53	280.56	4.73	-50.80
CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010797333	0	42	-1.0	-62.48	335.57	5.51	-56.97
CN1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010797334	0	44	-1.0	-59.30	334.95	6.24	-53.06
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1Cl	REAL300010797335	0	34	-1.0	-47.17	291.39	4.91	-42.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010797336	0	38	-1.0	-54.13	311.08	4.76	-49.37
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797337	0	41	-1.0	-53.51	333.26	7.32	-46.19
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C#N	REAL300010797338	0	36	-1.0	-50.84	285.74	5.90	-44.94
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(OC)=C1	REAL300010797339	0	40	-1.0	-58.64	318.73	4.31	-54.33
CN1C=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797340	0	38	-1.0	-58.53	308.87	7.02	-51.51
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300010797341	0	44	-1.0	-57.16	337.97	8.25	-48.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797342	0	40	-1.0	-52.89	321.28	8.09	-44.80
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)O1	REAL300010797343	0	38	-1.0	-61.21	323.27	5.34	-55.87
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797344	0	33	-1.0	-50.79	275.49	3.53	-47.26
COC(=O)C1=NSC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797345	0	34	-1.0	-46.27	291.03	4.01	-42.26
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1F	REAL300010797346	0	38	-1.0	-51.45	307.71	7.03	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010797347	0	40	-1.0	-74.95	320.24	4.13	-70.82
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010797348	0	39	-1.0	-66.19	321.33	5.73	-60.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010797349	0	32	-1.0	-50.17	283.81	6.28	-43.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010797350	0	31	-1.0	-49.93	272.47	4.36	-45.57
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797351	0	43	-1.0	-58.63	342.07	7.54	-51.09
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010797352	0	35	-1.0	-47.83	309.23	6.97	-40.86
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010797353	0	37	-1.0	-53.90	302.17	1.82	-52.08
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797354	0	35	-1.0	-51.73	280.46	6.37	-45.36
CCOC(=O)C1CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797355	0	43	-1.0	-63.13	336.02	6.54	-56.59
CNC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010797356	0	40	-1.0	-54.63	324.10	3.31	-51.32
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010797357	0	42	-1.0	-59.83	325.24	6.87	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010797358	0	40	-1.0	-56.14	322.87	4.81	-51.33
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797359	0	41	-1.0	-52.37	341.43	7.07	-45.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010797360	0	43	-1.0	-56.89	336.49	5.83	-51.06
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797361	0	41	-1.0	-64.49	341.44	7.06	-57.43
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010797362	0	38	-1.0	-56.82	323.33	6.03	-50.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010797363	0	43	-1.0	-57.78	344.88	9.81	-47.97
COC(=O)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797364	0	42	-1.0	-60.74	345.48	6.63	-54.11
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797365	0	45	-1.0	-55.76	366.43	6.78	-48.98
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797366	0	42	-1.0	-53.97	326.17	6.26	-47.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010797367	0	36	-1.0	-69.96	299.27	6.06	-63.90
CCOC(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797368	0	40	-1.0	-55.72	325.59	5.91	-49.81
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010797369	0	35	-1.0	-65.82	297.43	7.57	-58.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010797370	0	34	-1.0	-58.27	297.68	7.43	-50.84
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797371	0	37	-1.0	-44.10	277.25	6.57	-37.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010797372	0	34	-1.0	-42.79	293.42	6.35	-36.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010797373	0	29	-1.0	-48.64	266.57	5.38	-43.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010797374	0	36	-1.0	-48.44	288.43	5.58	-42.86
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010797375	0	40	-1.0	-58.92	309.69	6.96	-51.96
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010797376	0	34	-1.0	-48.98	298.34	5.05	-43.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010797377	0	40	-1.0	-50.17	322.11	4.67	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010797378	0	37	-1.0	-54.65	287.60	5.55	-49.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010797379	0	31	-1.0	-45.39	279.57	4.35	-41.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010797380	0	34	-1.0	-43.12	290.70	6.14	-36.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010797381	0	34	-1.0	-44.13	305.06	6.82	-37.31
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797382	0	41	-1.0	-59.85	341.59	4.56	-55.29
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010797383	0	37	-1.0	-46.66	304.37	6.01	-40.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010797384	0	34	-1.0	-64.44	291.10	6.57	-57.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010797385	0	34	-1.0	-45.07	295.29	6.43	-38.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010797386	0	39	-1.0	-51.75	330.56	6.40	-45.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010797387	0	34	-1.0	-58.02	301.16	7.45	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010797388	0	46	-1.0	-55.80	370.88	8.99	-46.81
CC1(C)C2CCC1(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(=O)C2	REAL300010797389	0	47	-1.0	-66.14	339.78	7.90	-58.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797390	0	40	-1.0	-57.77	339.57	2.10	-55.67
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797391	0	40	-1.0	-56.53	323.57	6.98	-49.55
CCOC(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797392	0	45	-1.0	-49.26	346.96	4.41	-44.85
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010797393	0	41	-1.0	-55.12	334.94	7.06	-48.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010797394	0	42	-1.0	-59.38	346.91	7.20	-52.18
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797395	0	54	-1.0	-50.74	387.61	8.21	-42.53
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797396	0	40	-1.0	-55.31	333.01	2.41	-52.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010797397	0	35	-1.0	-56.38	293.04	6.48	-49.90
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797398	0	38	-1.0	-65.94	325.78	3.22	-62.72
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1F	REAL300010797399	0	35	-1.0	-46.96	289.28	6.19	-40.77
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797400	0	39	-1.0	-59.29	330.73	6.65	-52.64
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797401	0	44	-1.0	-55.11	351.30	7.20	-47.91
CC1=CN(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2F)N=C1	REAL300010797402	0	42	-1.0	-52.56	344.53	7.55	-45.01
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797403	0	39	-1.0	-56.25	339.35	4.98	-51.27
CCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797404	0	39	-1.0	-52.13	326.78	0.45	-51.68
CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797405	0	35	-1.0	-54.46	295.71	6.49	-47.97
CC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797406	0	37	-1.0	-51.89	319.99	7.24	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010797407	0	38	-1.0	-59.55	317.20	7.62	-51.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010797408	0	29	-1.0	-49.05	288.49	5.85	-43.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010797409	0	44	-1.0	-57.52	354.29	7.62	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010797410	0	32	-1.0	-47.87	268.70	5.52	-42.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010797411	0	32	-1.0	-52.64	290.32	6.40	-46.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010797412	0	38	-1.0	-56.99	315.38	7.22	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010797413	0	38	-1.0	-59.41	334.50	7.16	-52.25
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010797414	0	40	-1.0	-55.96	326.99	5.36	-50.60
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797415	0	39	-1.0	-53.14	328.70	6.69	-46.45
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010797416	0	35	-1.0	-55.67	310.82	6.99	-48.68
CC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010797417	0	36	-1.0	-46.14	300.49	2.66	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010797418	0	41	-1.0	-56.60	341.18	8.56	-48.04
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010797419	0	34	-1.0	-48.98	298.34	5.05	-43.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010797420	0	34	-1.0	-56.37	301.96	6.68	-49.69
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797421	0	38	-1.0	-60.40	309.67	6.90	-53.50
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010797422	0	35	-1.0	-52.83	300.12	6.85	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010797423	0	44	-1.0	-63.81	356.21	4.21	-59.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010797424	0	39	-1.0	-49.71	332.63	6.21	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010797425	0	32	-1.0	-51.37	293.26	6.56	-44.81
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300010797426	0	40	-1.0	-55.75	330.64	3.12	-52.63
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797427	0	41	-1.0	-48.28	342.13	7.29	-40.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010797428	0	40	-1.0	-62.98	321.26	5.97	-57.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010797429	0	35	-1.0	-52.27	315.97	7.62	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010797430	0	38	-1.0	-56.81	331.99	8.71	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010797431	0	35	-1.0	-50.16	305.76	7.10	-43.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010797432	0	38	-1.0	-62.75	310.12	8.69	-54.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010797433	0	38	-1.0	-54.70	309.49	7.86	-46.84
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010797434	0	46	-1.0	-55.56	374.45	7.93	-47.63
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797435	0	38	-1.0	-55.80	326.04	3.24	-52.56
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797436	0	45	-1.0	-60.27	366.17	7.24	-53.03
O=C([O-])C1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010797437	0	43	-1.0	-53.34	362.86	2.76	-50.58
N#CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797438	0	33	-1.0	-55.64	289.94	6.52	-49.12
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1N(C)C	REAL300010797439	0	43	-1.0	-56.12	333.49	6.30	-49.82
CN1C(Cl)=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797440	0	32	-1.0	-49.29	272.64	3.98	-45.31
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797441	0	37	-1.0	-54.85	317.31	7.25	-47.60
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1Cl	REAL300010797442	0	32	-1.0	-64.44	281.86	5.15	-59.29
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797443	0	35	-1.0	-44.84	291.20	5.81	-39.03
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797444	0	38	-1.0	-59.96	319.20	7.46	-52.50
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797445	0	44	-1.0	-48.56	329.31	5.34	-43.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010797446	0	37	-1.0	-55.26	295.70	5.56	-49.70
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797447	0	38	-1.0	-66.60	321.64	3.23	-63.37
CCOC(=O)C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797448	0	46	-1.0	-56.22	354.42	6.38	-49.84
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797449	0	40	-1.0	-64.15	324.77	7.08	-57.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010797450	0	35	-1.0	-79.64	291.91	5.00	-74.64
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797451	0	42	-1.0	-67.41	336.74	5.55	-61.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010797452	0	35	-1.0	-54.65	306.25	6.88	-47.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010797453	0	33	-1.0	-62.87	273.02	6.07	-56.80
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797454	0	41	-1.0	-57.75	330.99	7.44	-50.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010797455	0	32	-1.0	-53.09	278.36	6.01	-47.08
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797456	0	51	-1.0	-52.29	388.83	8.73	-43.56
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010797457	0	35	-1.0	-51.79	307.83	7.11	-44.68
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797458	0	39	-1.0	-51.02	336.49	4.92	-46.10
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010797459	0	40	-1.0	-55.52	316.73	6.32	-49.20
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797460	0	36	-1.0	-48.69	318.89	5.83	-42.86
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797461	0	44	-1.0	-63.15	346.36	4.30	-58.85
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300010797462	0	35	-1.0	-49.61	308.70	5.44	-44.17
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797463	0	41	-1.0	-59.42	341.99	7.83	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010797464	0	43	-1.0	-53.59	365.89	9.09	-44.50
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010797465	0	41	-1.0	-51.87	312.86	6.31	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010797466	0	34	-1.0	-43.98	310.18	6.97	-37.01
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797467	0	36	-1.0	-49.22	319.27	6.40	-42.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797468	0	44	-1.0	-55.17	341.11	6.43	-48.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010797469	0	34	-1.0	-63.24	289.16	6.37	-56.87
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=C1	REAL300010797470	0	46	-1.0	-53.58	370.58	9.26	-44.32
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797471	0	39	-1.0	-60.36	312.69	6.16	-54.20
N#CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797472	0	36	-1.0	-51.37	307.48	6.80	-44.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010797473	0	35	-1.0	-47.79	292.37	3.18	-44.61
CN1C(=O)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797474	0	40	-1.0	-53.28	323.52	6.11	-47.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010797475	0	32	-1.0	-50.29	287.43	6.81	-43.48
COC(=O)C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797476	0	43	-1.0	-55.25	333.00	5.43	-49.82
COC1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797477	0	42	-1.0	-54.79	334.25	6.57	-48.22
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C(=O)OC)S1	REAL300010797478	0	41	-1.0	-55.76	353.73	6.32	-49.44
COCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797479	0	39	-1.0	-55.76	315.60	5.42	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010797480	0	32	-1.0	-59.25	292.52	5.72	-53.53
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010797481	0	41	-1.0	-51.51	341.59	7.55	-43.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010797482	0	38	-1.0	-62.97	328.10	7.09	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010797483	0	38	-1.0	-59.29	344.82	7.61	-51.68
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010797484	0	35	-1.0	-50.25	301.87	3.89	-46.36
CC1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2O1	REAL300010797485	0	37	-1.0	-54.26	304.25	3.34	-50.92
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797486	0	44	-1.0	-60.97	326.43	9.40	-51.57
CC1=CC(Br)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797488	0	32	-1.0	-51.69	294.09	6.00	-45.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010797489	0	37	-1.0	-46.74	319.79	6.26	-40.48
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797490	0	41	-1.0	-56.03	325.09	7.64	-48.39
CC1=C(Br)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300010797491	0	31	-1.0	-52.12	286.82	3.68	-48.44
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797492	0	37	-1.0	-54.47	309.36	6.91	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010797493	0	36	-1.0	-51.15	313.64	4.57	-46.58
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010797494	0	37	-1.0	-55.27	310.08	7.07	-48.20
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010797495	0	40	-1.0	-66.11	324.42	7.66	-58.45
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010797496	0	40	-1.0	-51.01	336.40	7.88	-43.13
CC1=NN2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NC2=C1Cl	REAL300010797497	0	37	-1.0	-51.35	324.79	5.70	-45.65
CCCN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797498	0	38	-1.0	-64.93	309.00	7.10	-57.83
CCCCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(=O)NC1=O	REAL300010797499	0	50	-1.0	-45.46	400.10	6.33	-39.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010797500	0	32	-1.0	-49.39	288.02	6.32	-43.07
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010797501	0	35	-1.0	-57.99	294.76	6.38	-51.61
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCCCC4C(=O)[O-])C=CC1=C23	REAL300010797502	0	43	-1.0	-54.66	336.68	6.98	-47.68
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797503	0	36	-1.0	-54.67	310.32	6.75	-47.92
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010797504	0	37	-1.0	-58.47	315.34	7.10	-51.37
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797505	0	38	-1.0	-59.45	308.87	7.02	-52.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010797506	0	46	-1.0	-63.97	367.56	6.93	-57.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010797507	0	35	-1.0	-76.48	292.34	4.93	-71.55
CC1=CC=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797508	0	35	-1.0	-53.32	295.14	6.67	-46.65
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797509	0	35	-1.0	-53.85	293.39	6.61	-47.24
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010797510	0	35	-1.0	-55.67	295.92	6.44	-49.23
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797511	0	43	-1.0	-55.85	360.70	3.38	-52.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010797512	0	31	-1.0	-55.69	280.53	5.21	-50.48
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010797513	0	43	-1.0	-52.15	338.46	6.02	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010797514	0	35	-1.0	-48.65	313.27	7.28	-41.37
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797515	0	40	-1.0	-62.79	344.83	3.62	-59.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010797516	0	31	-1.0	-46.89	275.34	4.16	-42.73
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1C	REAL300010797517	0	38	-1.0	-66.53	307.31	6.10	-60.43
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797518	0	37	-1.0	-53.02	311.44	4.48	-48.54
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Cl)S1	REAL300010797519	0	35	-1.0	-61.32	329.64	2.71	-58.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010797520	0	40	-1.0	-55.25	314.38	6.30	-48.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797521	0	42	-1.0	-55.50	330.11	6.62	-48.88
CC1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797522	0	35	-1.0	-54.30	293.21	6.05	-48.25
COCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797523	0	39	-1.0	-55.60	314.72	5.44	-50.16
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797524	0	41	-1.0	-65.35	346.48	5.09	-60.26
O=C([O-])C1CCCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010797525	0	43	-1.0	-67.85	328.69	11.64	-56.21
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010797526	0	35	-1.0	-52.26	281.94	6.21	-46.05
CC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010797527	0	37	-1.0	-47.77	317.78	6.73	-41.04
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010797528	0	43	-1.0	-54.92	364.91	4.61	-50.31
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300010797529	0	45	-1.0	-57.58	357.97	8.34	-49.24
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797530	0	36	-1.0	-58.59	314.63	7.04	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010797531	0	41	-1.0	-59.28	323.65	9.19	-50.09
CC1(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300010797532	0	41	-1.0	-50.87	306.02	3.77	-47.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010797533	0	35	-1.0	-58.02	286.97	4.35	-53.67
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010797534	0	40	-1.0	-69.82	318.07	7.60	-62.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010797535	0	38	-1.0	-66.42	307.18	7.26	-59.16
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010797536	0	45	-1.0	-70.31	346.45	6.40	-63.91
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010797537	0	44	-1.0	-52.26	336.62	2.69	-49.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010797538	0	38	-1.0	-50.59	329.33	3.74	-46.85
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797539	0	41	-1.0	-57.27	343.74	7.33	-49.94
COCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797540	0	39	-1.0	-54.31	305.13	5.52	-48.79
CCC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010797541	0	41	-1.0	-51.84	339.13	5.72	-46.12
O=C([O-])C1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010797542	0	49	-1.0	-63.17	379.02	7.82	-55.35
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797543	0	45	-1.0	-54.74	368.05	6.97	-47.77
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1	REAL300010797544	0	33	-1.0	-45.42	283.84	5.99	-39.43
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797545	0	36	-1.0	-54.03	310.98	6.06	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010797546	0	39	-1.0	-67.91	307.45	6.35	-61.56
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010797547	0	37	-1.0	-52.02	307.17	5.64	-46.38
O=C([O-])C1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010797548	0	52	-1.0	-67.64	377.49	7.09	-60.55
O=C([O-])C1CCCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010797549	0	46	-1.0	-57.76	357.74	6.14	-51.62
O=C([O-])C1CCCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010797550	0	43	-1.0	-59.31	363.26	6.66	-52.65
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010797551	0	35	-1.0	-52.97	282.93	6.13	-46.84
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797552	0	38	-1.0	-53.45	309.75	3.28	-50.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010797553	0	34	-1.0	-52.23	296.23	4.96	-47.27
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300010797554	0	34	-1.0	-61.60	297.87	3.57	-58.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797555	0	38	-1.0	-57.35	321.88	6.40	-50.95
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1C	REAL300010800001	0	41	-1.0	-70.72	346.71	3.27	-67.45
CC(C)C(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010800002	0	43	-1.0	-46.39	339.94	4.01	-42.38
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010800003	0	33	-1.0	-39.88	300.01	2.77	-37.11
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010800004	0	37	-1.0	-44.14	320.27	2.57	-41.57
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010800005	0	40	-1.0	-42.77	342.34	5.20	-37.57
COC1=CC(OC)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800006	0	39	-1.0	-46.57	324.86	2.06	-44.51
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010800007	0	37	-1.0	-58.31	315.11	4.81	-53.50
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300010800008	0	43	-1.0	-55.38	349.88	6.10	-49.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800009	0	39	-1.0	-47.65	322.77	5.70	-41.95
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)O1	REAL300010800010	0	37	-1.0	-43.84	331.60	3.14	-40.70
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010800011	0	32	-1.0	-39.71	290.81	1.34	-38.37
COC(=O)C1=NSC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800012	0	33	-1.0	-54.33	300.40	2.30	-52.03
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300010800013	0	37	-1.0	-50.85	314.59	4.78	-46.07
CC(C)C(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010800014	0	39	-1.0	-60.93	327.11	1.90	-59.03
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300010800015	0	38	-1.0	-62.11	329.52	3.56	-58.55
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010800016	0	31	-1.0	-49.44	296.01	4.11	-45.33
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800017	0	42	-1.0	-52.81	355.44	5.38	-47.43
CC(C)C(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010800018	0	34	-1.0	-38.19	313.20	4.76	-33.43
CC(C)C(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010800019	0	36	-1.0	-56.02	315.68	-0.27	-56.29
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800020	0	34	-1.0	-52.39	301.53	4.85	-47.54
CCOC(=O)C1CCCN1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800021	0	42	-1.0	-49.87	339.73	3.94	-45.93
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300010800022	0	39	-1.0	-56.17	337.61	1.20	-54.97
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010800023	0	41	-1.0	-42.77	320.82	4.21	-38.56
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010800024	0	39	-1.0	-57.47	340.96	3.29	-54.18
COC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800025	0	40	-1.0	-58.02	345.31	4.86	-53.16
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010800026	0	42	-1.0	-55.49	348.37	3.67	-51.82
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800027	0	40	-1.0	-48.83	346.02	4.85	-43.98
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)O1	REAL300010800028	0	37	-1.0	-54.17	330.16	3.22	-50.95
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010800029	0	42	-1.0	-55.26	357.06	7.65	-47.61
COC(=O)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800030	0	41	-1.0	-59.08	356.75	4.44	-54.64
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800031	0	44	-1.0	-56.31	379.62	4.62	-51.69
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800032	0	41	-1.0	-55.11	332.28	4.37	-50.74
CC(C)C(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010800033	0	35	-1.0	-49.25	307.73	3.91	-45.34
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800034	0	34	-1.0	-57.29	306.32	5.53	-51.76
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800035	0	33	-1.0	-52.32	307.34	5.60	-46.72
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800036	0	36	-1.0	-58.84	301.69	5.79	-53.05
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010800037	0	33	-1.0	-47.44	314.92	4.86	-42.58
CC(C)C(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010800038	0	28	-1.0	-55.11	273.49	2.52	-52.59
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010800039	0	35	-1.0	-51.49	305.05	3.88	-47.61
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300010800040	0	39	-1.0	-55.55	318.98	4.75	-50.80
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010800041	0	33	-1.0	-38.46	302.32	2.83	-35.63
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010800042	0	39	-1.0	-46.21	322.79	2.39	-43.82
CC(C)C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010800043	0	36	-1.0	-56.54	304.38	4.09	-52.45
CC(C)C(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010800044	0	30	-1.0	-48.54	300.76	2.80	-45.74
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010800045	0	33	-1.0	-47.97	302.43	4.22	-43.75
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010800046	0	33	-1.0	-47.04	311.93	4.57	-42.47
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800047	0	40	-1.0	-48.95	339.99	2.16	-46.79
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010800048	0	36	-1.0	-53.99	318.77	4.37	-49.62
CC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800049	0	33	-1.0	-56.14	301.63	4.93	-51.21
CC(C)C(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800050	0	33	-1.0	-47.58	302.18	4.18	-43.40
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010800051	0	38	-1.0	-53.15	341.85	4.21	-48.94
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800052	0	33	-1.0	-55.32	306.48	5.61	-49.71
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010800053	0	45	-1.0	-53.32	382.18	6.80	-46.52
CC(C)C(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010800054	0	46	-1.0	-50.14	346.08	5.83	-44.31
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010800055	0	39	-1.0	-59.10	352.01	0.33	-58.77
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800056	0	39	-1.0	-58.87	334.02	4.79	-54.08
CCOC(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300010800057	0	44	-1.0	-53.29	350.07	2.02	-51.27
COC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300010800058	0	40	-1.0	-56.06	353.13	4.84	-51.22
CC(C)C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010800059	0	41	-1.0	-44.60	351.85	5.02	-39.58
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800060	0	53	-1.0	-53.57	401.05	6.21	-47.36
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800061	0	37	-1.0	-58.71	339.93	4.90	-53.81
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010800062	0	39	-1.0	-57.50	347.99	0.14	-57.36
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010800063	0	37	-1.0	-62.67	332.61	0.99	-61.68
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(F)C=C1F	REAL300010800064	0	34	-1.0	-41.29	298.23	4.29	-37.00
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800065	0	38	-1.0	-45.11	336.05	4.53	-40.58
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010800066	0	43	-1.0	-54.66	363.53	5.04	-49.62
CC1=CN(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2F)N=C1	REAL300010800067	0	41	-1.0	-60.35	357.45	5.58	-54.77
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800068	0	38	-1.0	-57.62	339.91	2.27	-55.35
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800069	0	38	-1.0	-60.13	330.59	-1.77	-61.90
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800070	0	34	-1.0	-41.80	298.23	4.30	-37.50
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800071	0	36	-1.0	-40.66	325.04	5.28	-35.38
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300010800072	0	37	-1.0	-53.62	325.88	4.84	-48.78
CC(C)C(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010800073	0	28	-1.0	-48.83	296.80	3.74	-45.09
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010800074	0	43	-1.0	-56.59	362.48	5.47	-51.12
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010800075	0	31	-1.0	-42.47	300.55	4.30	-38.17
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010800076	0	37	-1.0	-42.06	320.15	4.98	-37.08
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010800077	0	37	-1.0	-55.99	338.44	4.45	-51.54
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300010800078	0	39	-1.0	-51.26	339.18	3.25	-48.01
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800079	0	38	-1.0	-57.87	335.38	4.08	-53.79
CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010800080	0	34	-1.0	-57.98	321.16	4.90	-53.08
CC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300010800081	0	35	-1.0	-44.22	307.85	0.51	-43.71
CC(C)C(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010800082	0	40	-1.0	-56.64	354.39	6.36	-50.28
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010800083	0	33	-1.0	-38.46	302.32	2.83	-35.63
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010800084	0	33	-1.0	-54.48	313.00	4.85	-49.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800085	0	37	-1.0	-59.27	319.19	5.06	-54.21
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010800086	0	34	-1.0	-56.41	304.74	4.60	-51.81
CC(C)C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010800087	0	43	-1.0	-69.15	367.54	2.02	-67.13
CC(C)C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010800088	0	38	-1.0	-56.12	337.16	3.95	-52.17
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010800089	0	31	-1.0	-38.80	302.21	4.70	-34.10
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300010800090	0	39	-1.0	-45.58	346.49	3.31	-42.27
CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010800091	0	39	-1.0	-41.55	337.45	1.00	-40.55
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010800092	0	40	-1.0	-50.67	348.69	5.05	-45.62
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010800093	0	39	-1.0	-57.13	331.57	4.15	-52.98
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010800094	0	34	-1.0	-43.62	324.51	5.45	-38.17
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300010800095	0	37	-1.0	-57.42	336.04	6.38	-51.04
CC(C)C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010800096	0	34	-1.0	-52.90	325.61	5.41	-47.49
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010800097	0	37	-1.0	-58.76	317.15	6.35	-52.41
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010800098	0	37	-1.0	-47.34	330.95	6.46	-40.88
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C2O1	REAL300010800099	0	45	-1.0	-55.69	384.43	5.76	-49.93
CC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010800100	0	37	-1.0	-55.99	335.99	1.06	-54.93
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010800101	0	44	-1.0	-57.44	377.46	5.05	-52.39
CC(C)C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010800102	0	42	-1.0	-44.67	363.39	0.47	-44.20
CC(C)C(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010800103	1	32	-1.0	-41.01	302.48	4.28	-36.73
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1N(C)C	REAL300010800104	0	42	-1.0	-52.79	341.47	4.12	-48.67
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800105	0	36	-1.0	-55.36	323.39	5.38	-49.98
CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010800106	0	34	-1.0	-56.36	312.07	4.12	-52.24
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800107	0	37	-1.0	-55.07	328.81	5.54	-49.53
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800108	0	43	-1.0	-51.94	340.31	3.89	-48.05
CC(C)C(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010800109	0	37	-1.0	-54.11	329.57	1.03	-53.08
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300010800110	0	47	-1.0	-59.55	392.49	1.19	-58.36
CCOC(=O)C1CCN(S(=O)(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300010800111	0	45	-1.0	-41.95	368.24	4.39	-37.56
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800112	0	39	-1.0	-49.65	313.29	5.16	-44.49
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010800113	0	46	-1.0	-53.98	395.58	2.75	-51.23
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800114	0	41	-1.0	-58.37	344.20	3.15	-55.22
CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010800115	0	34	-1.0	-57.41	316.59	4.78	-52.63
CC(C)C(NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800116	0	32	-1.0	-49.30	280.10	4.03	-45.27
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800117	0	40	-1.0	-60.31	335.30	5.28	-55.03
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010800118	0	31	-1.0	-39.00	287.30	4.14	-34.86
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800119	0	50	-1.0	-64.00	399.77	6.78	-57.22
CC(C)C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010800120	0	34	-1.0	-44.68	317.51	5.09	-39.59
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800121	0	38	-1.0	-54.94	343.35	3.06	-51.88
CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010800122	0	39	-1.0	-53.05	323.90	4.09	-48.96
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800123	0	35	-1.0	-52.38	327.31	3.94	-48.44
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800124	0	43	-1.0	-42.49	353.80	2.42	-40.07
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CS1	REAL300010800125	0	34	-1.0	-53.28	320.34	3.23	-50.05
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800126	0	40	-1.0	-59.16	351.47	5.99	-53.17
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010800127	0	42	-1.0	-45.10	379.04	6.99	-38.11
COC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300010800128	0	40	-1.0	-53.92	331.74	4.92	-49.00
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800129	0	33	-1.0	-46.74	316.41	4.76	-41.98
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800130	0	35	-1.0	-49.33	328.58	4.28	-45.05
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800131	0	43	-1.0	-51.82	343.13	3.92	-47.90
CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800132	0	33	-1.0	-51.39	295.78	4.12	-47.27
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=C1	REAL300010800133	0	45	-1.0	-45.66	383.75	7.13	-38.53
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800134	0	38	-1.0	-47.03	318.00	3.99	-43.04
CC(C)C(NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010800135	0	45	-1.0	-62.45	394.01	2.40	-60.05
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010800136	0	34	-1.0	-57.14	302.65	1.02	-56.12
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010800137	0	39	-1.0	-54.46	330.36	3.87	-50.59
CC(C)C(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010800138	0	31	-1.0	-50.69	295.33	4.55	-46.14
COC(=O)C1CCN(S(=O)(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300010800139	0	42	-1.0	-56.65	335.59	3.04	-53.61
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800140	0	41	-1.0	-52.42	344.53	4.41	-48.01
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300010800141	0	40	-1.0	-59.56	364.01	4.70	-54.86
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800142	0	38	-1.0	-55.73	327.93	3.25	-52.48
CC(C)C(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010800143	0	31	-1.0	-48.71	300.64	3.58	-45.13
CC(C)C(NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010800144	0	40	-1.0	-58.07	349.52	5.38	-52.69
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010800145	0	37	-1.0	-53.04	337.55	4.20	-48.84
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010800146	0	37	-1.0	-54.71	346.12	4.98	-49.73
CC(C)C(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010800147	0	34	-1.0	-55.12	311.65	1.71	-53.41
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2O1	REAL300010800148	0	36	-1.0	-52.67	314.53	1.18	-51.49
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800149	0	43	-1.0	-42.22	325.97	6.69	-35.53
CC1=CC(Br)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800151	0	31	-1.0	-37.67	290.16	3.51	-34.16
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010800152	0	36	-1.0	-51.27	324.24	4.11	-47.16
CC1=C(Br)SC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300010800153	1	30	-1.0	-40.34	297.55	1.76	-38.58
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800154	0	36	-1.0	-55.48	315.46	5.03	-50.45
CC(C)C(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010800155	0	35	-1.0	-52.39	319.54	2.34	-50.05
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800156	0	36	-1.0	-52.78	313.75	5.38	-47.40
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800157	0	39	-1.0	-67.55	332.32	5.34	-62.21
CC(C)C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010800158	0	39	-1.0	-43.30	345.69	5.73	-37.57
CC1=NN2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300010800159	0	36	-1.0	-48.84	328.33	3.31	-45.53
CCCCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010800160	0	49	-1.0	-49.59	409.62	4.52	-45.07
CC(C)C(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010800162	0	34	-1.0	-49.69	306.60	4.34	-45.35
CC(C)C(NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010800163	0	42	-1.0	-45.86	348.55	5.27	-40.59
CC(C)C(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010800164	0	35	-1.0	-59.64	322.64	4.64	-55.00
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300010800165	0	36	-1.0	-40.43	321.93	4.83	-35.60
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800166	0	37	-1.0	-55.36	319.16	5.08	-50.28
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(OC)=C1	REAL300010800167	0	46	-1.0	-62.27	391.15	0.94	-61.33
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800168	1	46	-1.0	-57.41	383.13	0.59	-56.82
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800169	0	45	-1.0	-54.23	392.81	1.97	-52.26
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010800170	0	45	-1.0	-60.78	378.68	4.72	-56.06
CC(C)C(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010800171	0	34	-1.0	-61.47	306.10	3.38	-58.09
CC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800172	0	34	-1.0	-54.76	308.05	4.85	-49.91
CC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800173	0	34	-1.0	-43.92	308.18	4.85	-39.07
CC(C)C(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010800174	0	34	-1.0	-58.44	302.22	4.29	-54.15
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800175	0	42	-1.0	-54.46	371.31	1.19	-53.27
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010800176	0	30	-1.0	-54.05	286.47	2.85	-51.20
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010800177	0	42	-1.0	-53.00	357.66	4.48	-48.52
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010800178	0	34	-1.0	-56.13	329.91	5.32	-50.81
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010800179	0	39	-1.0	-52.26	353.11	1.88	-50.38
CC(C)C(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010800180	0	31	-1.0	-49.01	302.27	4.91	-44.10
CC(C)C(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800181	0	30	-1.0	-36.53	291.45	2.63	-33.90
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300010800182	0	36	-1.0	-51.87	318.30	2.24	-49.63
CC(C)C(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010800183	0	34	-1.0	-50.69	342.22	0.76	-49.93
CC(C)C(NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010800184	0	50	-1.0	-48.66	423.71	4.49	-44.17
CC(C)C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010800185	0	39	-1.0	-53.44	320.59	4.10	-49.34
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800186	0	41	-1.0	-52.34	340.20	4.37	-47.97
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800187	0	45	-1.0	-49.43	404.18	1.14	-48.29
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800188	0	38	-1.0	-55.29	327.91	3.26	-52.03
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010800189	0	40	-1.0	-64.39	359.67	3.40	-60.99
CC(C)C(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010800190	0	42	-1.0	-58.67	344.75	10.42	-48.25
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1Cl	REAL300010800191	0	34	-1.0	-54.12	299.89	4.69	-49.43
CC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010800192	0	36	-1.0	-50.56	325.89	4.58	-45.98
CC(C)C(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010800193	0	42	-1.0	-55.78	372.44	2.44	-53.34
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300010800194	0	44	-1.0	-47.99	367.20	6.14	-41.85
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010800195	0	35	-1.0	-42.86	322.15	4.87	-37.99
CC(C)C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010800196	0	40	-1.0	-65.76	334.29	7.21	-58.55
CC(C)C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010800197	0	34	-1.0	-51.79	298.88	2.19	-49.60
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010800198	0	39	-1.0	-62.09	316.43	5.01	-57.08
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010800199	0	37	-1.0	-48.49	312.84	5.37	-43.12
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010800200	0	44	-1.0	-51.40	357.43	4.74	-46.66
CC(C)C(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010800201	0	43	-1.0	-41.87	345.89	0.53	-41.34
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010800202	0	37	-1.0	-49.68	335.52	1.55	-48.13
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800203	0	40	-1.0	-55.05	350.59	5.09	-49.96
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800204	0	38	-1.0	-53.71	316.03	3.51	-50.20
CCC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300010800205	0	40	-1.0	-43.51	347.48	3.84	-39.67
CC(C)C(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010800206	0	48	-1.0	-60.17	379.29	5.61	-54.56
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800207	0	44	-1.0	-54.34	383.82	5.25	-49.09
CC(C)C(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010800208	0	32	-1.0	-51.09	304.73	4.43	-46.66
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800209	0	35	-1.0	-54.02	328.02	4.08	-49.94
CC(C)C(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010800210	0	38	-1.0	-60.61	314.22	3.90	-56.71
CC(C)C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010800211	0	36	-1.0	-58.11	313.85	3.54	-54.57
CC(C)C(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010800212	0	51	-1.0	-43.32	389.96	5.13	-38.19
CC(C)C(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010800213	0	45	-1.0	-58.95	360.21	3.72	-55.23
CC(C)C(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010800214	0	42	-1.0	-55.56	363.27	4.09	-51.47
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300010800215	0	37	-1.0	-50.36	316.62	1.06	-49.30
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010800216	0	33	-1.0	-50.28	305.67	2.72	-47.56
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)SC=N1	REAL300010800217	1	33	-1.0	-48.30	309.04	1.26	-47.04
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800218	0	37	-1.0	-55.33	328.73	4.17	-51.16
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010802001	0	40	-1.0	-51.38	353.68	5.81	-45.57
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010802002	0	31	-1.0	-47.59	317.04	4.37	-43.22
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010802003	0	46	-1.0	-53.43	393.64	6.53	-46.90
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(F)=C1F	REAL300010802004	0	34	-1.0	-52.82	304.48	4.35	-48.47
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010802005	0	34	-1.0	-50.05	319.48	4.92	-45.13
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(F)(F)F	REAL300010802006	0	40	-1.0	-50.97	354.35	6.07	-44.90
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010802007	0	40	-1.0	-52.39	372.75	5.28	-47.11
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C12	REAL300010802008	0	42	-1.0	-53.74	366.23	4.27	-49.47
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802009	0	41	-1.0	-53.94	368.57	5.15	-48.79
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010802010	0	37	-1.0	-53.50	350.29	5.92	-47.58
CC1=NOC2=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C12	REAL300010802011	0	38	-1.0	-55.24	339.66	1.52	-53.72
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010802012	0	43	-1.0	-52.12	381.46	7.39	-44.73
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010802013	0	36	-1.0	-55.66	335.38	3.90	-51.76
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010802014	0	36	-1.0	-51.61	344.60	5.96	-45.65
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802015	0	40	-1.0	-53.16	350.52	6.10	-47.06
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010802016	0	37	-1.0	-53.27	337.25	5.70	-47.57
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010802017	0	46	-1.0	-63.85	396.51	3.05	-60.80
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010802018	0	41	-1.0	-53.59	369.67	5.05	-48.54
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010802019	0	34	-1.0	-49.33	322.87	5.22	-44.11
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C21	REAL300010802020	0	42	-1.0	-53.31	369.59	1.96	-51.35
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1F	REAL300010802021	0	43	-1.0	-53.41	381.12	6.15	-47.26
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010802022	0	42	-1.0	-54.35	361.76	5.19	-49.16
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010802023	0	37	-1.0	-50.23	355.55	6.48	-43.75
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010802024	0	40	-1.0	-50.54	363.75	7.28	-43.26
O=C([O-])CCCCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010802025	0	37	-1.0	-50.76	342.67	5.94	-44.82
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010802026	0	40	-1.0	-52.14	346.50	7.35	-44.79
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010802027	0	40	-1.0	-53.51	357.60	7.41	-46.10
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2O1	REAL300010802028	0	48	-1.0	-55.35	413.40	6.79	-48.56
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802029	0	40	-1.0	-56.97	365.02	2.09	-54.88
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802030	0	47	-1.0	-57.11	407.33	6.11	-51.00
O=C([O-])CCCCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010802031	0	45	-1.0	-59.49	399.92	1.61	-57.88
N#CC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802032	1	35	-1.0	-51.83	329.21	5.22	-46.61
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1N(C)C	REAL300010802033	0	45	-1.0	-50.53	374.52	5.20	-45.33
CN1C(Cl)=NC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802034	0	34	-1.0	-50.45	314.90	3.49	-46.96
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802035	0	39	-1.0	-52.95	355.30	6.48	-46.47
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1Cl	REAL300010802036	0	34	-1.0	-55.28	320.09	3.37	-51.91
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802037	0	37	-1.0	-60.70	330.06	4.69	-56.01
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802038	0	40	-1.0	-52.04	360.67	6.56	-45.48
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802039	0	46	-1.0	-51.93	373.74	5.02	-46.91
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010802040	0	39	-1.0	-51.68	335.83	4.41	-47.27
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802041	0	40	-1.0	-58.83	360.61	2.07	-56.76
CCOC(=O)C1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802042	0	48	-1.0	-54.42	394.51	5.30	-49.12
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802043	0	42	-1.0	-55.23	353.48	6.31	-48.92
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010802044	0	37	-1.0	-63.47	328.11	3.74	-59.73
CCC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802045	0	44	-1.0	-56.68	376.55	4.25	-52.43
O=C([O-])CCCCCNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010802046	0	37	-1.0	-53.27	345.71	5.80	-47.47
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010802047	0	35	-1.0	-58.66	314.84	5.23	-53.43
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802048	0	43	-1.0	-56.53	368.47	6.34	-50.19
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010802049	0	34	-1.0	-49.75	307.98	4.66	-45.09
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802050	0	53	-1.0	-57.14	430.95	7.64	-49.50
O=C([O-])CCCCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010802051	0	37	-1.0	-52.47	350.58	6.15	-46.32
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802052	0	41	-1.0	-54.33	368.01	3.82	-50.51
CC1CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2O1	REAL300010802053	0	42	-1.0	-51.47	356.97	5.15	-46.32
COC1=CC(Cl)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802054	0	38	-1.0	-49.81	347.06	4.45	-45.36
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802055	0	46	-1.0	-56.95	387.84	3.55	-53.40
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CS1	REAL300010802056	0	37	-1.0	-54.12	347.20	4.21	-49.91
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802057	0	43	-1.0	-53.18	382.65	7.06	-46.12
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010802058	0	45	-1.0	-51.83	405.31	7.90	-43.93
COC(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1C	REAL300010802059	0	43	-1.0	-53.08	364.42	5.86	-47.22
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010802060	0	36	-1.0	-50.37	349.42	5.84	-44.53
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802061	0	38	-1.0	-48.40	355.62	5.17	-43.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802062	0	46	-1.0	-52.24	379.09	5.15	-47.09
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010802063	0	36	-1.0	-54.24	328.14	5.22	-49.02
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)=C1	REAL300010802064	0	48	-1.0	-51.42	410.03	8.06	-43.36
COC1=CC=C(C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802065	0	41	-1.0	-52.53	341.84	5.04	-47.49
N#CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802066	0	38	-1.0	-55.76	344.53	5.65	-50.11
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010802067	0	37	-1.0	-55.35	331.66	2.05	-53.30
CN1C(=O)CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802068	0	42	-1.0	-53.79	363.21	5.00	-48.79
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010802069	0	34	-1.0	-49.28	327.68	5.65	-43.63
COC(=O)C1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802070	0	45	-1.0	-53.69	370.76	4.25	-49.44
COC1=C(C)C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802071	0	44	-1.0	-50.81	373.49	5.43	-45.38
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(C(=O)OC)S1	REAL300010802072	0	43	-1.0	-54.29	395.24	5.76	-48.53
COCC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802073	0	41	-1.0	-52.19	354.98	4.27	-47.92
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010802074	0	34	-1.0	-54.03	332.00	4.64	-49.39
O=C([O-])CCCCCNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010802075	0	43	-1.0	-58.48	378.64	6.40	-52.08
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010802076	0	40	-1.0	-53.73	366.34	5.21	-48.52
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010802077	0	40	-1.0	-52.06	383.07	5.73	-46.33
O=C([O-])CCCCCNS(=O)(=O)CCOCC(F)(F)F	REAL300010802078	0	37	-1.0	-53.57	338.86	2.73	-50.84
CC1=NC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2O1	REAL300010802079	0	39	-1.0	-53.85	343.56	2.20	-51.65
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802080	0	46	-1.0	-49.00	356.90	7.71	-41.29
CC1=CC(Br)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802082	0	34	-1.0	-50.75	329.89	4.75	-46.00
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010802083	0	39	-1.0	-53.96	355.81	5.10	-48.86
CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802084	0	43	-1.0	-53.77	362.09	6.46	-47.31
CC1=C(Br)SC(S(=O)(=O)NCCCCCC(=O)[O-])=N1	REAL300010802085	1	33	-1.0	-49.60	328.27	2.77	-46.83
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802086	0	39	-1.0	-53.64	347.35	6.14	-47.50
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010802087	0	38	-1.0	-52.01	352.69	3.41	-48.60
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010802088	0	39	-1.0	-59.09	341.73	6.32	-52.77
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010802089	0	42	-1.0	-58.58	364.84	6.44	-52.14
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010802090	0	42	-1.0	-57.34	373.39	6.72	-50.62
CC1=NN2C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=NC2=C1Cl	REAL300010802091	0	39	-1.0	-53.81	359.36	4.39	-49.42
CCCN1C=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802092	0	40	-1.0	-55.45	347.23	5.29	-50.16
CCCCCCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(=O)NC1=O	REAL300010802093	0	52	-1.0	-57.49	430.90	5.15	-52.34
O=C([O-])CCCCCNS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010802095	0	37	-1.0	-54.86	334.31	5.32	-49.54
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC1=C23	REAL300010802096	0	45	-1.0	-55.46	385.77	6.46	-49.00
N#CC1=CC=C(F)C(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802097	0	38	-1.0	-56.28	349.83	5.68	-50.60
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010802098	0	39	-1.0	-53.34	352.97	5.86	-47.48
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802099	0	40	-1.0	-52.13	350.34	6.13	-46.00
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010802100	0	48	-1.0	-57.79	405.80	5.75	-52.04
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010802101	0	37	-1.0	-63.60	337.15	4.40	-59.20
CC1=CC=C(Br)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802102	0	37	-1.0	-50.66	337.80	5.95	-44.71
CC1=CC=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802103	0	37	-1.0	-50.77	322.99	5.26	-45.51
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010802104	0	37	-1.0	-53.80	335.40	5.36	-48.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802105	0	45	-1.0	-55.07	400.34	2.21	-52.86
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010802106	0	33	-1.0	-51.09	317.54	3.92	-47.17
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C12	REAL300010802107	0	45	-1.0	-53.12	386.58	5.58	-47.54
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010802108	0	37	-1.0	-51.85	357.12	6.32	-45.53
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802109	0	42	-1.0	-60.68	372.05	2.67	-58.01
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010802110	0	33	-1.0	-48.42	313.88	3.24	-45.18
CCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1C	REAL300010802111	0	40	-1.0	-56.56	345.46	4.33	-52.23
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802112	0	39	-1.0	-52.75	350.65	3.37	-49.38
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(Cl)S1	REAL300010802113	0	37	-1.0	-56.07	358.22	1.23	-54.84
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010802114	0	42	-1.0	-51.56	353.62	5.17	-46.39
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802115	0	44	-1.0	-50.78	369.20	5.39	-45.39
CC1=C(C)SC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802116	0	37	-1.0	-50.54	332.87	4.93	-45.61
COCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802117	0	41	-1.0	-51.66	354.99	4.28	-47.38
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802118	0	43	-1.0	-58.78	389.05	4.48	-54.30
O=C([O-])CCCCCNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010802119	0	45	-1.0	-50.53	374.91	11.23	-39.30
CC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300010802120	0	37	-1.0	-51.09	320.31	5.19	-45.90
CC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300010802121	0	39	-1.0	-52.29	356.70	5.56	-46.73
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010802122	0	45	-1.0	-54.40	404.61	3.50	-50.90
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300010802123	0	47	-1.0	-53.65	398.24	7.17	-46.48
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802124	0	38	-1.0	-55.67	358.70	6.01	-49.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010802125	0	43	-1.0	-58.32	366.41	8.31	-50.01
CC1(C)CN(S(=O)(=O)NCCCCCC(=O)[O-])CCO1	REAL300010802126	0	43	-1.0	-49.86	346.12	2.74	-47.12
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010802127	0	37	-1.0	-52.21	325.96	3.20	-49.01
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010802128	0	42	-1.0	-57.00	348.32	6.07	-50.93
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010802129	0	40	-1.0	-55.50	329.77	5.68	-49.82
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300010802130	0	47	-1.0	-58.47	392.63	5.94	-52.53
O=C([O-])CCCCCNS(=O)(=O)CCCN1CCOCC1	REAL300010802131	0	46	-1.0	-53.88	373.60	1.52	-52.36
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010802132	0	40	-1.0	-51.22	368.53	2.63	-48.59
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802133	0	43	-1.0	-51.82	382.97	6.19	-45.63
COCC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802134	0	41	-1.0	-50.52	346.45	4.66	-45.86
CCC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010802135	0	43	-1.0	-52.77	379.14	4.88	-47.89
O=C([O-])CCCCCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010802136	0	51	-1.0	-58.15	417.16	6.46	-51.69
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802137	0	47	-1.0	-51.13	410.88	6.13	-45.00
N#CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Cl)=C1	REAL300010802138	0	35	-1.0	-51.21	322.33	4.98	-46.23
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802139	0	38	-1.0	-50.41	347.42	5.04	-45.37
O=C([O-])CCCCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010802140	0	41	-1.0	-56.38	345.69	4.57	-51.81
O=C([O-])CCCCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010802141	0	39	-1.0	-59.03	347.02	4.61	-54.42
O=C([O-])CCCCCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010802142	0	54	-1.0	-58.52	424.02	6.28	-52.24
O=C([O-])CCCCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010802143	0	48	-1.0	-56.89	393.30	4.80	-52.09
O=C([O-])CCCCCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010802144	0	45	-1.0	-56.51	398.91	5.32	-51.19
CC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1F	REAL300010802145	0	37	-1.0	-52.02	318.50	4.94	-47.08
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802146	0	40	-1.0	-50.93	348.95	2.17	-48.76
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010802147	0	36	-1.0	-51.39	334.65	3.77	-47.62
COC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])SC=N1	REAL300010802148	1	36	-1.0	-58.89	332.88	2.75	-56.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802149	0	40	-1.0	-51.96	361.10	5.27	-46.69
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010803001	0	39	-1.0	-56.24	325.23	5.15	-51.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010803002	0	25	-1.0	-49.28	245.98	3.78	-45.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010803003	0	36	-1.0	-53.51	317.29	3.08	-50.43
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010803004	0	28	-1.0	-56.41	279.00	4.94	-51.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010803005	0	25	-1.0	-41.62	268.86	4.63	-36.99
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803006	0	38	-1.0	-62.77	338.27	3.33	-59.44
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803007	0	39	-1.0	-62.43	338.65	2.47	-59.96
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803008	0	33	-1.0	-54.49	294.87	6.06	-48.43
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803009	0	41	-1.0	-53.11	346.48	5.87	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010803010	0	39	-1.0	-52.19	328.01	5.77	-46.42
CC(C)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803011	0	38	-1.0	-53.25	327.52	5.27	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010803012	0	29	-1.0	-44.99	288.03	3.68	-41.31
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300010803013	0	38	-1.0	-44.40	322.10	5.14	-39.26
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803014	0	36	-1.0	-55.95	319.54	3.04	-52.91
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803015	0	36	-1.0	-57.05	323.49	3.21	-53.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010803016	0	40	-1.0	-56.84	340.68	3.05	-53.79
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010803017	0	28	-1.0	-52.01	261.00	4.38	-47.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010803018	0	31	-1.0	-61.44	300.32	1.35	-60.09
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803019	0	31	-1.0	-63.10	296.91	5.77	-57.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)N(C)C(=O)N2C	REAL300010803020	0	35	-1.0	-51.50	319.57	4.66	-46.84
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803021	0	31	-1.0	-53.96	310.65	4.81	-49.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010803022	0	29	-1.0	-50.91	283.93	4.60	-46.31
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803023	0	42	-1.0	-57.42	372.59	2.73	-54.69
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC	REAL300010803024	0	35	-1.0	-49.44	314.83	4.26	-45.18
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803025	0	34	-1.0	-44.77	303.55	4.76	-40.01
CN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010803026	0	35	-1.0	-59.22	307.29	-0.75	-59.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010803027	0	34	-1.0	-57.10	301.43	3.62	-53.48
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010803028	0	34	-1.0	-55.96	299.61	4.76	-51.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010803029	0	38	-1.0	-58.66	332.14	6.16	-52.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010803030	0	33	-1.0	-65.74	300.43	2.99	-62.75
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1Cl	REAL300010803031	0	32	-1.0	-48.72	310.23	3.34	-45.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010803032	0	32	-1.0	-58.49	298.93	4.85	-53.64
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010803033	0	31	-1.0	-56.94	296.46	4.20	-52.74
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010803034	0	29	-1.0	-54.02	283.60	3.64	-50.38
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010803035	0	35	-1.0	-54.69	323.12	5.57	-49.12
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)O1	REAL300010803036	0	28	-1.0	-42.16	285.07	2.71	-39.45
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(Br)S1	REAL300010803037	0	25	-1.0	-49.58	257.04	3.85	-45.73
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010803038	0	33	-1.0	-59.60	272.77	6.03	-53.57
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803039	0	31	-1.0	-55.91	294.33	4.48	-51.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803040	0	34	-1.0	-61.52	301.78	1.51	-60.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010803041	0	29	-1.0	-56.09	282.87	5.49	-50.60
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803042	0	41	-1.0	-50.68	344.97	5.33	-45.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010803043	0	36	-1.0	-57.57	320.80	3.52	-54.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010803044	0	37	-1.0	-56.06	343.58	1.40	-54.66
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803045	0	33	-1.0	-56.60	311.18	-0.28	-56.88
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803046	0	35	-1.0	-62.03	330.06	2.51	-59.52
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010803047	0	28	-1.0	-55.76	291.15	5.32	-50.44
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C(C)N1	REAL300010803048	0	38	-1.0	-52.70	329.59	4.24	-48.46
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010803049	0	25	-1.0	-46.52	248.07	4.36	-42.16
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S2)=CS1	REAL300010803050	0	31	-1.0	-53.43	313.41	4.13	-49.30
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010803051	0	45	-1.0	-53.23	369.14	7.17	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010803052	0	35	-1.0	-52.73	330.01	3.13	-49.60
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010803053	0	25	-1.0	-43.27	260.54	4.65	-38.62
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803054	0	34	-1.0	-60.54	296.01	4.70	-55.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010803055	0	27	-1.0	-62.00	270.24	5.78	-56.22
COC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010803056	0	33	-1.0	-54.63	292.93	2.69	-51.94
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010803057	0	36	-1.0	-53.54	299.64	3.18	-50.36
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010803058	0	27	-1.0	-45.42	272.77	5.73	-39.69
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010803059	0	28	-1.0	-57.48	272.94	4.48	-53.00
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010803060	0	31	-1.0	-50.58	297.82	4.63	-45.95
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803061	0	28	-1.0	-41.44	272.26	4.75	-36.69
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010803062	0	29	-1.0	-51.17	275.52	0.55	-50.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010803063	0	31	-1.0	-41.54	271.40	5.57	-35.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010803064	0	30	-1.0	-51.61	289.13	5.56	-46.05
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803065	0	34	-1.0	-53.59	332.51	5.74	-47.85
CC1=C(Br)SC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803066	0	25	-1.0	-50.99	267.78	3.87	-47.12
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803067	0	30	-1.0	-50.49	299.33	5.36	-45.13
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(F)=C1F	REAL300010803068	0	31	-1.0	-49.68	300.19	4.29	-45.39
CN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010803069	0	43	-1.0	-52.30	321.00	5.26	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010803070	0	36	-1.0	-54.16	311.12	2.11	-52.05
CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Br	REAL300010803071	0	28	-1.0	-54.27	262.55	4.54	-49.73
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803072	0	31	-1.0	-63.21	293.26	4.79	-58.42
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010803073	0	31	-1.0	-42.55	288.28	4.29	-38.26
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803074	0	31	-1.0	-54.43	280.33	5.06	-49.37
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010803075	0	31	-1.0	-40.89	303.81	4.68	-36.21
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010803076	0	38	-1.0	-55.51	319.13	5.84	-49.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Br	REAL300010803077	0	31	-1.0	-58.59	300.30	1.24	-57.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010803078	0	39	-1.0	-45.98	350.94	5.63	-40.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010803079	0	27	-1.0	-46.62	277.19	4.68	-41.94
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803080	0	39	-1.0	-55.99	341.39	4.01	-51.98
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803081	0	41	-1.0	-53.17	350.41	6.13	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010803082	0	27	-1.0	-62.77	267.12	5.68	-57.09
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010803083	0	31	-1.0	-41.68	292.10	4.22	-37.46
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Cl)C=C1Cl	REAL300010803084	0	31	-1.0	-49.70	307.46	4.91	-44.79
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803085	0	35	-1.0	-60.26	311.12	4.11	-56.15
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803086	0	37	-1.0	-55.98	312.47	5.13	-50.85
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010803087	0	34	-1.0	-42.79	303.58	4.73	-38.06
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803088	0	31	-1.0	-57.54	288.98	4.13	-53.41
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010803089	0	31	-1.0	-48.64	279.62	5.32	-43.32
CN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010803090	0	24	-1.0	-40.48	249.13	2.36	-38.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010803091	0	29	-1.0	-50.56	290.95	5.01	-45.55
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803092	0	39	-1.0	-43.00	343.83	1.48	-41.52
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010803093	0	25	-1.0	-41.70	259.78	4.21	-37.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010803094	0	32	-1.0	-54.33	297.44	1.42	-52.91
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803095	0	28	-1.0	-40.78	261.44	4.70	-36.08
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010803096	0	29	-1.0	-41.91	282.68	3.53	-38.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010803097	0	33	-1.0	-44.62	311.68	0.32	-44.30
CCC(=O)NCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC	REAL300010803098	0	42	-1.0	-47.24	363.66	2.71	-44.53
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803099	0	29	-1.0	-52.15	269.06	3.02	-49.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803100	0	34	-1.0	-57.92	314.93	1.97	-55.95
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010803101	0	27	-1.0	-49.93	282.24	3.49	-46.44
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803102	0	30	-1.0	-60.80	280.80	4.24	-56.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010803103	0	26	-1.0	-50.44	276.70	4.55	-45.89
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803104	0	32	-1.0	-45.69	304.53	4.45	-41.24
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010803105	0	30	-1.0	-50.59	284.64	-0.96	-51.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010803106	0	39	-1.0	-46.45	345.80	5.52	-40.93
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803107	0	30	-1.0	-61.33	293.92	4.04	-57.29
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803108	0	41	-1.0	-62.85	371.02	2.22	-60.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010803109	0	35	-1.0	-56.17	314.21	4.49	-51.68
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803110	0	33	-1.0	-54.78	309.36	-0.28	-55.06
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803111	0	34	-1.0	-64.08	306.47	5.36	-58.72
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010803112	0	46	-1.0	-61.09	374.32	3.89	-57.20
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803113	0	46	-1.0	-60.66	378.41	4.03	-56.63
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803114	0	37	-1.0	-52.86	332.70	5.93	-46.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010803115	0	43	-1.0	-47.27	369.85	3.55	-43.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010803116	0	31	-1.0	-53.29	287.63	3.14	-50.15
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010803117	0	31	-1.0	-41.39	294.03	5.25	-36.14
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300010803118	0	31	-1.0	-55.68	321.69	4.90	-50.78
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803119	0	28	-1.0	-53.97	262.55	4.65	-49.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010803120	0	41	-1.0	-60.34	349.70	4.48	-55.86
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010803121	0	33	-1.0	-52.08	301.83	3.18	-48.90
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OCC	REAL300010803122	0	39	-1.0	-44.99	335.19	4.60	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010803123	0	30	-1.0	-57.40	288.81	-1.50	-58.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010803124	0	36	-1.0	-49.19	310.55	4.67	-44.52
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010803125	0	39	-1.0	-60.17	327.13	5.22	-54.95
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010803126	0	33	-1.0	-52.05	285.95	5.16	-46.89
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010803127	0	36	-1.0	-59.45	312.87	4.61	-54.84
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2CC1C	REAL300010803128	0	39	-1.0	-59.00	328.54	5.16	-53.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010803129	0	29	-1.0	-42.76	289.43	4.74	-38.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010803130	0	31	-1.0	-43.20	289.30	0.54	-42.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010803131	0	31	-1.0	-44.95	283.49	0.77	-44.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010803132	0	31	-1.0	-53.03	291.37	1.08	-51.95
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010803133	0	31	-1.0	-65.15	282.97	4.57	-60.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010803134	0	29	-1.0	-56.19	272.97	3.94	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010803135	0	30	-1.0	-54.06	287.01	-1.50	-55.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010803136	0	37	-1.0	-44.31	340.25	1.35	-42.96
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010803137	0	31	-1.0	-59.54	289.47	-0.04	-59.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010803138	0	31	-1.0	-59.68	295.27	1.07	-58.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010803139	0	32	-1.0	-54.02	299.60	2.84	-51.18
CN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010803140	0	33	-1.0	-55.02	301.02	5.13	-49.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010803141	0	31	-1.0	-57.28	288.10	3.53	-53.75
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803142	0	33	-1.0	-67.21	292.66	6.68	-60.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1	REAL300010803143	0	34	-1.0	-49.27	342.72	4.98	-44.29
CCOC(=O)C1CCCN(S(=O)(=O)N(C)CC(=O)[O-])C1	REAL300010803144	0	39	-1.0	-56.25	328.90	4.25	-52.00
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803145	0	29	-1.0	-48.63	294.27	4.70	-43.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010803146	0	29	-1.0	-43.84	278.72	3.33	-40.51
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803147	0	36	-1.0	-47.55	328.36	1.56	-45.99
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010803148	0	27	-1.0	-63.60	271.12	5.96	-57.64
CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010803149	0	37	-1.0	-64.05	319.89	2.91	-61.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010803150	0	35	-1.0	-59.04	303.12	7.37	-51.67
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803151	0	34	-1.0	-52.02	309.38	5.13	-46.89
CCOC(=O)N1CCC(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010803152	0	39	-1.0	-42.32	318.84	3.30	-39.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010803153	0	25	-1.0	-50.93	255.86	4.17	-46.76
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803154	0	32	-1.0	-56.11	299.46	5.00	-51.11
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010803155	0	28	-1.0	-42.39	284.66	4.97	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010803156	0	28	-1.0	-51.60	278.40	4.84	-46.76
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=CO1	REAL300010803157	0	34	-1.0	-51.54	309.14	2.61	-48.93
COC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C2S1	REAL300010803158	0	34	-1.0	-58.07	317.71	6.22	-51.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010803159	0	33	-1.0	-54.23	299.62	2.93	-51.30
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803160	0	34	-1.0	-59.62	311.53	4.99	-54.63
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N2)C=C1	REAL300010803161	0	35	-1.0	-53.64	316.54	5.35	-48.29
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010803162	0	36	-1.0	-71.30	314.48	4.70	-66.60
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300010803163	0	39	-1.0	-43.12	330.39	2.95	-40.17
CC1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300010803164	0	33	-1.0	-42.06	306.54	4.67	-37.39
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010803165	0	39	-1.0	-50.52	349.49	6.15	-44.37
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N1	REAL300010803166	0	36	-1.0	-58.17	321.71	4.32	-53.85
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010803167	0	31	-1.0	-50.62	305.23	4.62	-46.00
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803168	0	35	-1.0	-59.78	301.94	3.76	-56.02
CC(=O)NC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010803169	0	35	-1.0	-52.94	307.65	3.34	-49.60
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803170	0	33	-1.0	-40.02	282.25	5.53	-34.49
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010803171	0	34	-1.0	-50.11	319.68	5.55	-44.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010803172	0	31	-1.0	-52.74	293.79	1.21	-51.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010803173	0	33	-1.0	-56.80	299.45	3.02	-53.78
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803174	0	34	-1.0	-59.06	312.51	4.98	-54.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010803175	0	36	-1.0	-55.03	309.43	3.71	-51.32
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803176	0	34	-1.0	-45.74	309.80	4.89	-40.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010803177	0	36	-1.0	-54.31	318.19	7.70	-46.61
COC(=O)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803178	0	35	-1.0	-59.25	320.42	4.47	-54.78
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803179	0	38	-1.0	-56.18	341.38	4.62	-51.56
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010803180	0	28	-1.0	-56.94	262.55	5.14	-51.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010803181	0	27	-1.0	-61.59	274.81	5.88	-55.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010803182	0	27	-1.0	-46.71	267.98	4.42	-42.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010803183	0	22	-1.0	-54.08	246.38	3.21	-50.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010803184	0	33	-1.0	-44.75	293.22	2.63	-42.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010803185	0	24	-1.0	-47.82	257.25	2.60	-45.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010803186	0	27	-1.0	-41.19	277.17	4.68	-36.51
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803187	0	34	-1.0	-54.57	309.67	1.98	-52.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010803188	0	32	-1.0	-45.10	303.68	4.24	-40.86
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010803189	0	27	-1.0	-63.27	275.68	6.06	-57.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010803190	0	39	-1.0	-45.91	344.02	6.83	-39.08
CN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010803191	0	40	-1.0	-52.29	311.01	5.87	-46.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010803192	0	33	-1.0	-62.80	307.78	0.19	-62.61
CCOC(=O)N1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010803193	0	38	-1.0	-45.37	321.83	2.41	-42.96
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010803194	0	34	-1.0	-55.77	309.88	4.68	-51.09
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010803195	0	35	-1.0	-53.62	319.94	5.14	-48.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803196	0	47	-1.0	-53.79	371.49	6.46	-47.33
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803197	0	31	-1.0	-53.26	294.32	4.37	-48.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010803198	0	33	-1.0	-58.55	308.14	0.26	-58.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010803199	0	31	-1.0	-44.48	297.86	1.10	-43.38
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803200	0	32	-1.0	-55.68	295.96	4.65	-51.03
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010803201	0	37	-1.0	-46.02	323.51	5.08	-40.94
CC1=CN(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2F)N=C1	REAL300010803202	0	35	-1.0	-45.03	317.37	5.58	-39.45
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803203	0	32	-1.0	-57.08	312.36	2.71	-54.37
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803204	0	30	-1.0	-51.79	283.86	5.02	-46.77
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010803205	0	31	-1.0	-44.10	284.31	4.83	-39.27
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010803206	0	22	-1.0	-48.46	255.12	3.64	-44.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010803207	0	37	-1.0	-46.18	321.27	5.40	-40.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010803208	0	25	-1.0	-53.41	255.55	4.11	-49.30
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010803209	0	31	-1.0	-40.63	287.17	5.08	-35.55
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010803210	0	31	-1.0	-56.09	306.80	4.34	-51.75
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803211	0	32	-1.0	-45.86	299.89	4.12	-41.74
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010803212	0	28	-1.0	-40.72	281.60	4.89	-35.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300010803213	0	36	-1.0	-57.38	351.39	1.01	-56.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010803214	0	34	-1.0	-56.10	316.11	6.39	-49.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010803215	0	27	-1.0	-49.33	267.80	4.39	-44.94
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803216	0	31	-1.0	-63.38	286.58	5.32	-58.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010803217	0	37	-1.0	-55.11	329.32	2.05	-53.06
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C2S1	REAL300010803218	0	39	-1.0	-50.70	358.39	5.20	-45.50
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010803219	0	32	-1.0	-56.56	303.70	4.11	-52.45
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010803220	0	25	-1.0	-51.57	260.90	4.45	-47.12
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803221	0	33	-1.0	-47.27	305.53	3.42	-43.85
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010803222	0	33	-1.0	-50.40	303.64	0.99	-49.41
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803223	0	34	-1.0	-52.73	316.18	5.30	-47.43
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)C=C1F	REAL300010803224	0	31	-1.0	-49.24	302.38	4.67	-44.57
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010803225	0	34	-1.0	-41.54	313.96	5.15	-36.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010803226	0	33	-1.0	-64.60	297.82	4.64	-59.96
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803227	0	42	-1.0	-56.79	376.37	3.54	-53.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010803228	0	28	-1.0	-51.74	289.60	5.51	-46.23
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010803229	0	31	-1.0	-55.51	297.45	6.30	-49.21
CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010803230	0	28	-1.0	-52.28	282.78	5.26	-47.02
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010803231	0	31	-1.0	-48.46	279.94	6.41	-42.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010803232	0	31	-1.0	-57.32	285.60	6.07	-51.25
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803233	0	29	-1.0	-51.11	288.64	3.82	-47.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010803234	0	22	-1.0	-51.16	263.69	3.84	-47.32
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2O1	REAL300010803235	0	39	-1.0	-55.78	347.45	5.81	-49.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010803236	0	31	-1.0	-46.36	297.86	1.10	-45.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010803237	0	38	-1.0	-50.31	340.18	5.12	-45.19
CN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010803238	0	36	-1.0	-47.70	331.23	0.58	-47.12
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803239	0	30	-1.0	-49.82	281.63	5.02	-44.80
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803240	0	31	-1.0	-63.06	295.23	5.77	-57.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010803241	0	31	-1.0	-58.08	293.45	1.07	-57.01
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010803242	0	41	-1.0	-58.55	353.54	1.26	-57.29
CCOC(=O)C1CCN(S(=O)(=O)N(C)CC(=O)[O-])CC1	REAL300010803243	0	39	-1.0	-42.90	326.81	4.28	-38.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010803244	0	40	-1.0	-47.75	354.67	2.69	-45.06
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803245	0	35	-1.0	-61.25	311.22	3.25	-58.00
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803246	0	34	-1.0	-54.58	299.79	5.28	-49.30
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803247	0	44	-1.0	-64.56	356.73	7.52	-57.04
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010803248	0	28	-1.0	-56.49	284.61	5.21	-51.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803249	0	32	-1.0	-57.23	304.08	3.01	-54.22
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803250	0	29	-1.0	-51.32	286.22	3.71	-47.61
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803251	0	37	-1.0	-57.82	314.01	2.11	-55.71
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803252	0	34	-1.0	-62.73	319.68	6.48	-56.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010803253	0	36	-1.0	-53.24	339.98	6.90	-46.34
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010803254	0	34	-1.0	-43.35	292.77	4.71	-38.64
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010803255	0	27	-1.0	-48.07	284.08	4.84	-43.23
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803256	0	29	-1.0	-48.49	286.70	4.29	-44.20
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=C1	REAL300010803257	0	39	-1.0	-52.83	344.68	7.07	-45.76
CN(CCS(=O)(=O)N(C)CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010803258	0	39	-1.0	-47.11	357.83	2.48	-44.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010803259	0	25	-1.0	-50.77	262.35	4.65	-46.12
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010803260	0	42	-1.0	-48.28	379.51	5.19	-43.09
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C(=O)OC)S1	REAL300010803261	0	34	-1.0	-60.72	331.91	4.78	-55.94
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010803262	0	25	-1.0	-54.84	265.41	3.65	-51.19
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010803263	0	38	-1.0	-50.23	353.86	5.73	-44.50
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010803264	0	34	-1.0	-45.77	309.96	5.38	-40.39
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010803265	0	42	-1.0	-52.23	369.73	3.28	-48.95
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010803266	0	31	-1.0	-54.13	300.40	4.27	-49.86
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010803267	0	31	-1.0	-55.79	317.12	4.79	-51.00
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300010803268	0	31	-1.0	-59.23	321.69	4.89	-54.34
CC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803270	0	25	-1.0	-54.67	268.68	3.96	-50.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010803271	0	30	-1.0	-56.15	291.85	4.30	-51.85
CC1=C(Br)SC(S(=O)(=O)N(C)CC(=O)[O-])=N1	REAL300010803272	0	24	-1.0	-50.35	262.56	1.79	-48.56
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803273	0	30	-1.0	-50.06	273.68	4.68	-45.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010803274	0	29	-1.0	-45.44	285.44	2.40	-43.04
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010803275	0	33	-1.0	-47.34	296.14	5.41	-41.93
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010803276	0	33	-1.0	-58.68	307.42	5.76	-52.92
CC1=NN2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=NC2=C1Cl	REAL300010803277	0	30	-1.0	-49.81	294.25	3.51	-46.30
CCCCCCN1C=C(S(=O)(=O)N(C)CC(=O)[O-])C(=O)NC1=O	REAL300010803278	0	43	-1.0	-61.54	366.19	4.25	-57.29
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010803279	0	25	-1.0	-46.39	260.89	4.05	-42.34
CN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(=C32)C=C1	REAL300010803280	0	36	-1.0	-55.39	313.61	5.25	-50.14
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010803281	0	30	-1.0	-49.31	287.62	4.87	-44.44
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803282	0	31	-1.0	-63.06	284.90	5.32	-57.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010803283	0	43	-1.0	-60.67	372.75	1.89	-58.78
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010803284	0	40	-1.0	-60.84	351.25	1.10	-59.74
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803285	1	40	-1.0	-55.45	343.47	0.72	-54.73
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803286	0	39	-1.0	-43.66	354.66	2.00	-41.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300010803287	0	29	-1.0	-46.95	285.55	3.51	-43.44
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010803288	0	39	-1.0	-43.04	338.64	4.76	-38.28
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010803289	0	28	-1.0	-38.99	286.34	2.35	-36.64
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010803290	0	28	-1.0	-70.89	262.35	3.07	-67.82
CC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803291	0	28	-1.0	-52.06	261.00	4.38	-47.68
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803292	0	36	-1.0	-43.79	333.16	1.22	-42.57
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010803293	0	36	-1.0	-44.87	306.06	4.05	-40.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010803294	0	35	-1.0	-44.12	328.24	7.59	-36.53
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010803295	0	28	-1.0	-39.98	288.42	5.30	-34.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010803296	0	33	-1.0	-74.00	308.08	1.77	-72.23
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010803297	0	25	-1.0	-38.29	261.19	4.92	-33.37
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010803298	0	28	-1.0	-56.48	296.33	0.50	-55.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010803299	0	44	-1.0	-61.31	388.80	4.55	-56.76
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803300	0	39	-1.0	-60.38	369.28	1.21	-59.17
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010803301	0	34	-1.0	-60.70	324.81	3.52	-57.18
CC(=O)NC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803302	0	35	-1.0	-54.20	315.96	3.61	-50.59
CC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010803303	0	30	-1.0	-42.33	289.53	4.57	-37.76
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010803304	0	36	-1.0	-55.68	338.71	2.52	-53.16
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300010803305	0	38	-1.0	-56.58	332.91	6.18	-50.40
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010803306	0	29	-1.0	-57.66	293.48	5.01	-52.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010803307	0	34	-1.0	-64.44	300.21	7.37	-57.07
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010803308	0	38	-1.0	-49.20	309.36	4.18	-45.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010803309	0	31	-1.0	-50.12	302.58	1.66	-48.46
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803310	0	34	-1.0	-53.59	317.63	5.19	-48.40
CCC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010803311	0	34	-1.0	-45.01	296.40	3.37	-41.64
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010803312	0	42	-1.0	-61.80	345.84	5.39	-56.41
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803313	0	38	-1.0	-52.69	341.91	5.24	-47.45
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803314	0	29	-1.0	-51.78	283.47	4.13	-47.65
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010803315	0	45	-1.0	-49.05	344.03	5.00	-44.05
CN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010803316	0	42	-1.0	-52.81	357.37	5.72	-47.09
CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010803317	0	39	-1.0	-44.36	322.13	3.66	-40.70
CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010803318	0	36	-1.0	-42.47	328.00	4.20	-38.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803319	0	31	-1.0	-54.00	295.76	4.27	-49.73
CC1=C(Br)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804001	0	30	-1.0	-47.15	285.01	3.59	-43.56
N#CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804002	0	34	-1.0	-54.92	292.32	4.21	-50.71
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(F)=C1F	REAL300010804003	0	36	-1.0	-41.81	314.26	3.68	-38.13
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010804004	0	48	-1.0	-50.51	339.62	4.86	-45.65
CC1=NC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C2C=C1	REAL300010804005	0	38	-1.0	-58.70	308.57	4.69	-54.01
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010804006	0	41	-1.0	-53.99	329.50	1.74	-52.25
CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Br	REAL300010804007	0	33	-1.0	-48.83	275.59	3.86	-44.97
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804008	0	36	-1.0	-61.85	307.82	4.13	-57.72
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010804009	0	38	-1.0	-48.24	310.44	0.96	-47.28
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010804010	0	36	-1.0	-43.38	304.13	3.68	-39.70
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804011	0	36	-1.0	-53.44	294.00	4.36	-49.08
COCCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804012	0	37	-1.0	-54.22	312.10	0.81	-53.41
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010804013	0	43	-1.0	-53.78	335.40	5.23	-48.55
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804014	0	40	-1.0	-55.44	318.44	4.47	-50.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010804015	0	35	-1.0	-65.59	298.41	3.22	-62.37
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010804016	0	37	-1.0	-50.93	312.95	4.31	-46.62
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010804017	0	32	-1.0	-51.79	293.02	4.06	-47.73
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804018	0	31	-1.0	-43.49	264.56	3.02	-40.47
CCOCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804019	0	44	-1.0	-50.13	356.86	3.49	-46.64
CCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804020	0	46	-1.0	-51.98	368.05	5.83	-46.15
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010804021	0	32	-1.0	-64.20	279.49	5.24	-58.96
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010804022	0	36	-1.0	-42.33	307.94	3.61	-38.72
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010804023	0	36	-1.0	-44.97	322.43	4.24	-40.73
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804024	0	40	-1.0	-63.90	330.70	3.60	-60.30
COC(=O)C1=CSC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804025	0	33	-1.0	-57.92	299.64	2.89	-55.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804026	0	42	-1.0	-52.65	337.88	5.00	-47.65
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C	REAL300010804027	0	39	-1.0	-50.12	320.54	4.08	-46.04
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804028	0	36	-1.0	-57.36	309.05	3.69	-53.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010804029	0	40	-1.0	-54.04	306.01	5.61	-48.43
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010804030	0	36	-1.0	-49.10	304.10	4.90	-44.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010804031	0	29	-1.0	-44.39	266.43	1.84	-42.55
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010804032	0	34	-1.0	-46.49	308.60	4.70	-41.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010804033	0	30	-1.0	-39.62	275.62	3.60	-36.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010804034	0	37	-1.0	-74.52	314.70	0.91	-73.61
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804035	0	33	-1.0	-47.58	273.31	3.92	-43.66
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010804036	0	34	-1.0	-45.92	299.92	2.99	-42.93
CC1(C)CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300010804037	0	41	-1.0	-51.17	327.50	4.28	-46.89
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804038	0	38	-1.0	-46.48	327.91	-0.31	-46.79
CCC(=O)NCC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1OC	REAL300010804039	0	47	-1.0	-50.64	380.96	2.19	-48.45
COC1=CC=C(Br)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804040	0	34	-1.0	-52.16	286.65	2.57	-49.59
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804041	0	39	-1.0	-57.58	332.36	1.49	-56.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010804042	0	32	-1.0	-43.94	296.90	2.84	-41.10
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804043	0	35	-1.0	-61.58	296.20	3.59	-57.99
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804044	0	31	-1.0	-40.32	290.74	3.93	-36.39
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010804045	0	37	-1.0	-51.10	321.78	3.91	-47.19
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010804046	0	35	-1.0	-52.27	302.69	-1.28	-53.55
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2S1	REAL300010804047	0	44	-1.0	-49.47	361.62	4.88	-44.59
COC(=O)CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804048	0	39	-1.0	-50.86	312.21	3.89	-46.97
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804049	0	35	-1.0	-56.34	308.90	3.04	-53.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010804050	0	35	-1.0	-46.61	284.58	2.23	-44.38
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010804051	0	38	-1.0	-58.03	317.95	4.49	-53.54
O=C([O-])C1COCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010804052	0	36	-1.0	-52.76	292.04	-0.61	-53.37
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804053	0	40	-1.0	-45.77	328.41	3.86	-41.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010804054	0	35	-1.0	-45.70	298.25	3.19	-42.51
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300010804055	0	40	-1.0	-50.78	309.83	3.54	-47.24
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804056	0	38	-1.0	-52.19	328.48	-0.52	-52.71
CS(=O)(=O)CCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804057	0	32	-1.0	-57.41	281.77	-1.52	-58.93
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804058	0	39	-1.0	-51.34	307.77	4.60	-46.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010804059	0	34	-1.0	-53.11	285.79	3.22	-49.89
CSC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804060	0	34	-1.0	-52.60	292.40	4.26	-48.34
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804061	0	42	-1.0	-51.60	350.34	5.62	-45.98
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010804062	0	36	-1.0	-53.86	316.84	4.97	-48.89
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804063	0	41	-1.0	-45.65	319.31	4.79	-40.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010804064	0	29	-1.0	-40.66	267.10	1.75	-38.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010804065	0	36	-1.0	-53.63	288.55	2.67	-50.96
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010804066	0	35	-1.0	-53.00	287.60	3.44	-49.56
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804067	0	33	-1.0	-52.24	276.53	3.97	-48.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010804068	0	38	-1.0	-48.48	309.85	2.23	-46.25
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804069	0	46	-1.0	-62.26	367.69	4.18	-58.08
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OCC	REAL300010804070	0	44	-1.0	-47.32	351.05	3.98	-43.34
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(=O)N(C)C1=O	REAL300010804071	0	36	-1.0	-42.75	296.70	1.48	-41.27
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804072	0	36	-1.0	-57.74	292.22	2.54	-55.20
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804073	0	35	-1.0	-53.02	304.25	-2.01	-55.03
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010804074	0	41	-1.0	-65.72	329.78	4.48	-61.24
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804075	0	44	-1.0	-66.85	343.94	4.97	-61.88
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300010804076	0	38	-1.0	-48.23	311.32	5.01	-43.22
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804077	0	36	-1.0	-52.22	306.98	3.90	-48.32
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804078	0	41	-1.0	-54.54	330.64	4.16	-50.38
CNC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804079	0	37	-1.0	-58.24	308.65	1.52	-56.72
NC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804080	0	34	-1.0	-47.60	284.51	-0.21	-47.81
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2CC1C	REAL300010804081	0	44	-1.0	-65.28	345.76	4.87	-60.41
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=CS1	REAL300010804082	0	33	-1.0	-59.08	291.55	2.97	-56.11
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804083	0	33	-1.0	-46.64	299.77	3.05	-43.59
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010804084	0	34	-1.0	-37.37	305.25	4.10	-33.27
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804085	0	36	-1.0	-59.50	302.88	2.03	-57.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010804086	0	36	-1.0	-48.26	305.17	-0.08	-48.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010804087	0	36	-1.0	-46.71	300.71	0.25	-46.46
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010804088	0	36	-1.0	-49.19	305.62	0.41	-48.78
CC1=CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2N=C1	REAL300010804089	0	38	-1.0	-57.69	309.19	4.76	-52.93
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010804090	0	36	-1.0	-60.38	298.81	3.74	-56.64
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804091	0	34	-1.0	-49.90	292.95	3.47	-46.43
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010804092	0	34	-1.0	-47.78	292.75	3.43	-44.35
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804093	0	35	-1.0	-56.43	304.27	-1.98	-58.41
COC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804094	0	36	-1.0	-60.58	304.81	3.71	-56.87
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010804095	0	42	-1.0	-60.51	361.03	1.20	-59.31
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010804096	0	35	-1.0	-48.38	306.27	4.63	-43.75
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010804097	0	33	-1.0	-49.07	284.46	4.03	-45.04
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Cl)=C1	REAL300010804098	0	33	-1.0	-48.65	276.53	3.86	-44.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010804099	0	36	-1.0	-58.97	305.54	-0.58	-59.55
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804100	0	36	-1.0	-58.16	312.91	0.75	-57.41
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C1=O	REAL300010804101	0	37	-1.0	-54.97	317.75	2.64	-52.33
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804102	0	38	-1.0	-47.75	317.89	4.64	-43.11
CC1=CC(F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804103	0	33	-1.0	-48.21	261.63	3.42	-44.79
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010804104	0	39	-1.0	-52.58	308.41	4.52	-48.06
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CN=C12	REAL300010804105	0	38	-1.0	-55.60	305.95	4.32	-51.28
CN1C(=O)OC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804106	0	36	-1.0	-55.36	302.74	2.89	-52.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010804107	0	35	-1.0	-47.92	299.58	4.82	-43.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804108	0	38	-1.0	-63.16	308.47	5.68	-57.48
CCOC(=O)C1CCCN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010804109	0	44	-1.0	-57.03	346.53	3.83	-53.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010804110	0	34	-1.0	-50.38	296.02	2.84	-47.54
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804111	0	41	-1.0	-51.86	346.61	1.35	-50.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010804112	0	30	-1.0	-43.06	261.59	3.27	-39.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010804113	0	32	-1.0	-56.74	286.08	4.95	-51.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010804114	0	42	-1.0	-69.11	337.55	2.54	-66.57
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010804115	0	40	-1.0	-57.71	319.76	6.81	-50.90
CC1CC(C)CN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010804116	0	41	-1.0	-50.12	311.89	3.51	-46.61
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804117	0	39	-1.0	-60.54	326.68	4.64	-55.90
CCOC(=O)N1CCC(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804118	0	44	-1.0	-49.76	349.44	3.25	-46.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010804119	0	30	-1.0	-48.43	268.94	3.76	-44.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010804120	0	30	-1.0	-48.32	273.51	3.86	-44.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010804121	0	32	-1.0	-44.11	278.22	3.69	-40.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010804122	0	36	-1.0	-53.25	296.01	5.31	-47.94
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804123	0	37	-1.0	-63.08	308.93	2.14	-60.94
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804124	0	35	-1.0	-59.19	283.44	4.02	-55.17
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804125	0	34	-1.0	-52.76	281.70	2.54	-50.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010804126	0	32	-1.0	-63.31	269.38	4.43	-58.88
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804127	0	37	-1.0	-53.62	318.24	4.40	-49.22
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804128	0	37	-1.0	-52.57	303.55	3.46	-49.11
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010804129	0	30	-1.0	-43.78	260.93	3.10	-40.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010804130	0	30	-1.0	-45.12	262.87	3.18	-41.94
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010804131	0	36	-1.0	-48.50	293.11	2.09	-46.41
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300010804132	0	39	-1.0	-47.43	288.86	4.60	-42.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804133	0	45	-1.0	-53.73	334.66	5.64	-48.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010804134	0	30	-1.0	-39.99	280.53	3.91	-36.08
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010804135	0	30	-1.0	-39.06	261.31	3.05	-36.01
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010804136	0	30	-1.0	-47.37	271.73	3.69	-43.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010804137	0	33	-1.0	-53.63	291.15	4.37	-49.26
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010804138	0	33	-1.0	-53.87	277.16	4.27	-49.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010804139	0	33	-1.0	-40.51	301.94	4.45	-36.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010804140	0	30	-1.0	-50.29	266.76	3.56	-46.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010804141	0	33	-1.0	-47.98	294.05	4.20	-43.78
CC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804142	0	35	-1.0	-46.74	292.76	3.51	-43.23
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010804143	0	30	-1.0	-39.58	271.20	3.50	-36.08
CC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804144	0	35	-1.0	-65.14	290.52	3.44	-61.70
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=CO1	REAL300010804145	0	39	-1.0	-50.96	326.41	2.08	-48.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010804146	0	29	-1.0	-41.76	277.18	2.15	-39.61
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010804147	0	33	-1.0	-58.57	283.26	4.28	-54.29
COC1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804148	0	34	-1.0	-52.46	284.39	2.47	-49.99
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010804149	0	39	-1.0	-50.54	324.60	5.42	-45.12
COC(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804150	0	39	-1.0	-57.74	329.16	4.68	-53.06
O=C([O-])C1COCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010804151	0	37	-1.0	-51.19	296.41	4.98	-46.21
CC1=CC=C(N2C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=N2)C=C1	REAL300010804152	0	40	-1.0	-55.28	334.31	4.99	-50.29
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804153	0	41	-1.0	-60.07	328.85	4.06	-56.01
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804154	0	31	-1.0	-43.18	274.07	3.38	-39.80
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804155	0	34	-1.0	-54.50	276.01	3.74	-50.76
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010804156	0	44	-1.0	-51.79	352.47	2.83	-48.96
CC1CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300010804157	0	38	-1.0	-47.66	325.87	4.46	-43.20
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010804158	0	35	-1.0	-44.72	294.81	4.38	-40.34
COC(=O)C1=COC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804159	0	33	-1.0	-50.92	293.42	2.57	-48.35
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804160	0	41	-1.0	-54.08	340.12	3.94	-50.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010804161	0	32	-1.0	-52.20	282.03	2.44	-49.76
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804162	0	40	-1.0	-63.47	316.04	3.21	-60.26
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC=C1	REAL300010804163	0	31	-1.0	-53.46	272.83	2.34	-51.12
CC(=O)NC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C	REAL300010804164	0	40	-1.0	-64.45	323.53	2.65	-61.80
CN1CCCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804165	0	42	-1.0	-51.79	324.56	3.56	-48.23
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN=C1Cl	REAL300010804166	0	32	-1.0	-44.88	282.66	2.46	-42.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010804167	0	36	-1.0	-47.80	301.38	2.10	-45.70
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804168	0	39	-1.0	-50.53	324.82	4.93	-45.60
CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C#N	REAL300010804169	0	34	-1.0	-47.74	277.89	3.49	-44.25
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(OC)=C1	REAL300010804170	0	38	-1.0	-54.06	309.04	1.66	-52.40
CN1C=NC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804171	0	36	-1.0	-52.50	296.87	4.28	-48.22
CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1CC	REAL300010804172	0	42	-1.0	-49.45	325.68	5.50	-43.95
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804173	0	38	-1.0	-42.21	301.75	5.01	-37.20
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)O1	REAL300010804174	0	36	-1.0	-56.43	301.72	2.37	-54.06
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804175	0	31	-1.0	-46.62	272.17	0.86	-45.76
COC(=O)C1=NSC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804176	0	32	-1.0	-58.16	286.68	1.45	-56.71
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(C)=C1F	REAL300010804177	0	36	-1.0	-45.97	296.34	4.41	-41.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010804178	0	38	-1.0	-71.23	311.54	1.83	-69.40
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1C	REAL300010804179	0	37	-1.0	-48.34	312.81	3.25	-45.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010804180	0	30	-1.0	-41.55	271.76	3.51	-38.04
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010804181	0	29	-1.0	-44.63	261.85	1.75	-42.88
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804182	0	41	-1.0	-45.97	332.46	4.84	-41.13
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010804183	0	33	-1.0	-46.00	300.70	4.53	-41.47
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(N)=O	REAL300010804184	0	35	-1.0	-52.68	295.14	-0.60	-53.28
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804185	0	33	-1.0	-48.42	271.96	3.86	-44.56
CCOC(=O)C1CCCN1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804186	0	41	-1.0	-59.53	326.98	3.60	-55.93
CNC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1C	REAL300010804187	0	38	-1.0	-52.88	317.08	0.89	-51.99
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300010804188	0	40	-1.0	-46.13	296.93	3.22	-42.91
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010804189	0	38	-1.0	-52.93	314.78	2.36	-50.57
COC(=O)C1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804190	0	39	-1.0	-52.87	332.86	4.62	-48.25
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010804191	0	41	-1.0	-49.30	325.52	3.20	-46.10
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804192	0	39	-1.0	-61.97	332.91	4.63	-57.34
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])O1	REAL300010804193	0	36	-1.0	-45.03	312.96	2.95	-42.08
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010804194	0	41	-1.0	-53.02	334.26	7.14	-45.88
COC(=O)COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804195	0	40	-1.0	-50.34	335.88	3.95	-46.39
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804196	0	43	-1.0	-54.01	356.84	4.10	-49.91
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804197	0	40	-1.0	-51.98	315.28	3.83	-48.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010804198	0	34	-1.0	-66.51	290.28	3.74	-62.77
CCOC(=O)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804199	0	38	-1.0	-53.77	316.96	3.44	-50.33
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010804200	0	33	-1.0	-62.37	289.57	5.15	-57.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010804201	0	32	-1.0	-56.08	290.65	5.06	-51.02
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804202	0	35	-1.0	-45.35	274.32	4.59	-40.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010804203	0	32	-1.0	-39.90	285.66	3.96	-35.94
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010804204	0	27	-1.0	-46.67	261.24	3.13	-43.54
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010804205	0	34	-1.0	-46.10	279.92	3.12	-42.98
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010804206	0	38	-1.0	-55.57	301.06	4.59	-50.98
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010804207	0	32	-1.0	-47.18	289.78	2.60	-44.58
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010804208	0	38	-1.0	-47.70	314.30	2.23	-45.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010804209	0	35	-1.0	-51.62	280.38	3.17	-48.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010804210	0	29	-1.0	-42.49	271.70	1.95	-40.54
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010804211	0	32	-1.0	-40.79	282.76	3.71	-37.08
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010804212	0	32	-1.0	-44.89	294.45	4.15	-40.74
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804213	0	39	-1.0	-58.59	337.50	2.12	-56.47
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010804214	0	35	-1.0	-43.68	297.86	3.48	-40.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010804215	0	32	-1.0	-61.41	283.77	4.23	-57.18
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010804216	0	32	-1.0	-39.00	283.24	3.67	-35.33
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010804217	0	37	-1.0	-53.61	323.12	3.93	-49.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010804218	0	32	-1.0	-56.64	290.65	5.05	-51.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010804219	0	44	-1.0	-49.64	361.29	6.32	-43.32
CC1(C)C2CCC1(CS(=O)(=O)N1CCOCC1C(=O)[O-])C(=O)C2	REAL300010804220	0	45	-1.0	-57.19	331.18	5.64	-51.55
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804221	0	38	-1.0	-50.93	327.96	-0.25	-51.18
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804222	0	38	-1.0	-65.42	313.11	4.32	-61.10
CCOC(=O)N1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804223	0	43	-1.0	-46.20	337.29	1.98	-44.22
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010804224	0	39	-1.0	-60.24	335.74	4.67	-55.57
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010804225	0	40	-1.0	-56.75	338.32	4.76	-51.99
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804226	0	52	-1.0	-49.17	380.97	5.87	-43.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804227	0	38	-1.0	-53.74	326.13	-0.05	-53.79
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010804228	0	33	-1.0	-54.00	284.51	4.04	-49.96
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010804229	0	36	-1.0	-59.46	313.73	0.48	-58.98
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(F)C=C1F	REAL300010804230	0	33	-1.0	-44.31	281.22	3.75	-40.56
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804231	0	37	-1.0	-54.72	315.54	4.13	-50.59
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804232	0	42	-1.0	-49.04	339.31	4.46	-44.58
CC1=CN(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2F)N=C1	REAL300010804233	0	40	-1.0	-50.08	333.62	4.88	-45.20
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804234	0	37	-1.0	-53.04	331.24	2.53	-50.51
CCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804235	0	37	-1.0	-50.34	318.14	-2.02	-52.36
CC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804236	0	33	-1.0	-49.90	281.07	3.75	-46.15
CC1=CC(Cl)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804237	0	35	-1.0	-53.76	298.85	4.33	-49.43
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010804238	0	36	-1.0	-50.52	311.55	4.70	-45.82
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010804239	0	27	-1.0	-44.50	271.09	3.02	-41.48
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010804240	0	42	-1.0	-53.84	347.33	5.08	-48.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010804241	0	30	-1.0	-45.35	260.70	3.10	-42.25
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010804242	0	30	-1.0	-48.19	275.64	3.66	-44.53
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010804243	0	36	-1.0	-44.50	304.48	4.55	-39.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010804244	0	36	-1.0	-52.57	325.01	4.41	-48.16
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C12	REAL300010804245	0	38	-1.0	-45.37	314.97	2.66	-42.71
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804246	0	37	-1.0	-53.84	323.02	3.85	-49.99
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010804247	0	33	-1.0	-53.53	302.45	4.54	-48.99
CC1=NOC2=NC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C12	REAL300010804248	0	34	-1.0	-44.38	291.87	0.24	-44.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010804249	0	39	-1.0	-51.77	331.62	5.88	-45.89
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010804250	0	32	-1.0	-47.18	289.78	2.60	-44.58
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010804251	0	32	-1.0	-51.86	285.51	3.94	-47.92
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804252	0	36	-1.0	-57.36	301.91	4.47	-52.89
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010804253	0	33	-1.0	-50.26	291.59	4.42	-45.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010804254	0	42	-1.0	-72.10	348.44	1.81	-70.29
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010804255	0	37	-1.0	-47.80	324.05	3.75	-44.05
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010804256	0	30	-1.0	-47.18	276.30	3.79	-43.39
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CN=C21	REAL300010804257	0	38	-1.0	-51.22	319.47	0.53	-50.69
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010804258	0	39	-1.0	-50.08	331.20	4.62	-45.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010804259	0	38	-1.0	-59.65	313.80	3.59	-56.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010804260	0	33	-1.0	-48.55	307.43	5.22	-43.33
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010804261	0	36	-1.0	-52.94	323.47	6.35	-46.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010804262	0	33	-1.0	-47.09	298.27	4.67	-42.42
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010804263	0	36	-1.0	-50.07	292.84	5.24	-44.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010804264	0	36	-1.0	-51.51	301.92	5.46	-46.05
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300010804265	0	44	-1.0	-53.21	363.54	5.26	-47.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804266	0	36	-1.0	-50.35	313.71	0.48	-49.87
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804267	0	43	-1.0	-51.77	356.57	4.56	-47.21
O=C([O-])C1COCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010804268	0	41	-1.0	-51.39	354.29	0.29	-51.10
N#CC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804269	0	31	-1.0	-52.84	281.53	4.15	-48.69
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1N(C)C	REAL300010804270	0	41	-1.0	-48.91	324.65	3.68	-45.23
CN1C(Cl)=NC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804271	0	30	-1.0	-49.24	266.35	2.02	-47.22
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804272	0	35	-1.0	-55.60	295.93	4.45	-51.15
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1Cl	REAL300010804273	0	30	-1.0	-56.32	273.80	2.51	-53.81
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804274	0	33	-1.0	-42.41	283.53	3.40	-39.01
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804275	0	36	-1.0	-56.76	312.64	4.95	-51.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804276	0	42	-1.0	-46.11	320.15	2.84	-43.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010804277	0	35	-1.0	-49.27	284.53	2.79	-46.48
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804278	0	36	-1.0	-57.49	310.90	0.59	-56.90
CCOC(=O)C1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804279	0	44	-1.0	-49.92	346.77	3.99	-45.93
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804280	0	38	-1.0	-61.03	317.10	4.79	-56.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010804281	0	33	-1.0	-74.09	278.25	2.23	-71.86
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804282	0	40	-1.0	-62.85	329.22	2.95	-59.90
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010804283	0	33	-1.0	-49.85	300.17	4.50	-45.35
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010804284	0	31	-1.0	-61.86	266.68	3.60	-58.26
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804285	0	39	-1.0	-55.27	323.07	5.07	-50.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010804286	0	30	-1.0	-48.64	261.42	3.24	-45.40
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804287	0	49	-1.0	-63.56	360.12	6.38	-57.18
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010804288	0	33	-1.0	-49.87	299.64	4.68	-45.19
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804289	0	37	-1.0	-49.96	324.83	2.58	-47.38
CC1CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300010804290	0	38	-1.0	-49.91	307.11	3.64	-46.27
COC1=CC(Cl)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804291	0	34	-1.0	-48.08	300.47	3.02	-45.06
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804292	0	42	-1.0	-56.76	327.58	1.52	-55.24
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CS1	REAL300010804293	0	33	-1.0	-59.77	299.45	2.94	-56.83
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804294	0	39	-1.0	-56.58	334.57	5.42	-51.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010804295	0	41	-1.0	-47.15	354.13	6.20	-40.95
COC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300010804296	0	39	-1.0	-48.52	304.85	3.89	-44.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010804297	0	32	-1.0	-37.57	298.14	4.22	-33.35
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804298	0	34	-1.0	-44.69	302.46	3.74	-40.95
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804299	0	42	-1.0	-52.55	334.15	4.10	-48.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010804300	0	32	-1.0	-57.74	278.25	3.73	-54.01
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=C1	REAL300010804301	0	44	-1.0	-47.46	358.82	6.36	-41.10
COC1=CC=C(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804302	0	37	-1.0	-55.54	297.44	3.62	-51.92
N#CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804303	0	34	-1.0	-49.51	298.91	4.35	-45.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010804304	0	33	-1.0	-43.47	281.79	0.55	-42.92
CN1C(=O)CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804305	0	38	-1.0	-50.21	312.88	3.45	-46.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010804306	0	30	-1.0	-48.24	279.99	4.34	-43.90
COC(=O)C1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804307	0	41	-1.0	-49.93	324.91	3.06	-46.87
COC1=C(C)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804308	0	40	-1.0	-49.45	322.89	3.95	-45.50
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C(=O)OC)S1	REAL300010804309	0	39	-1.0	-63.26	349.84	4.24	-59.02
COCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804310	0	37	-1.0	-54.26	305.12	2.77	-51.49
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010804311	0	30	-1.0	-54.88	281.73	2.97	-51.91
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010804312	0	39	-1.0	-49.40	333.03	5.10	-44.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010804313	0	36	-1.0	-50.75	321.03	3.59	-47.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010804314	0	36	-1.0	-52.43	335.33	4.86	-47.57
O=C([O-])C1COCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010804315	0	33	-1.0	-48.21	293.24	1.42	-46.79
CC1=NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2O1	REAL300010804316	0	35	-1.0	-53.40	293.67	0.71	-52.69
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804317	0	42	-1.0	-57.71	315.59	6.88	-50.83
CC1=CC(Br)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804319	0	30	-1.0	-49.78	285.46	3.44	-46.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010804320	0	35	-1.0	-45.92	319.23	4.28	-41.64
CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804321	0	39	-1.0	-53.51	316.51	5.17	-48.34
CC1=C(Br)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=N1	REAL300010804322	0	29	-1.0	-48.83	279.41	1.25	-47.58
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804323	0	35	-1.0	-55.34	287.98	4.10	-51.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010804324	0	34	-1.0	-46.60	302.69	1.90	-44.70
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010804325	0	35	-1.0	-53.50	294.84	4.97	-48.53
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010804326	0	38	-1.0	-64.00	315.97	5.21	-58.79
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010804327	0	38	-1.0	-49.31	327.77	5.40	-43.91
CC1=NN2C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=NC2=C1Cl	REAL300010804328	0	35	-1.0	-47.70	313.81	2.97	-44.73
CCCN1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804329	0	36	-1.0	-52.03	299.03	3.92	-48.11
CCCCCCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(=O)NC1=O	REAL300010804330	0	48	-1.0	-41.11	385.46	3.35	-37.76
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010804331	0	30	-1.0	-50.40	284.89	3.92	-46.48
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010804332	0	33	-1.0	-55.48	286.44	3.93	-51.55
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCOCC4C(=O)[O-])C=CC1=C23	REAL300010804333	0	41	-1.0	-51.74	329.24	4.58	-47.16
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804334	0	34	-1.0	-51.99	304.29	4.38	-47.61
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010804335	0	35	-1.0	-52.91	303.10	4.38	-48.53
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804336	0	36	-1.0	-56.33	302.30	4.49	-51.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010804337	0	44	-1.0	-59.28	356.22	4.31	-54.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010804338	0	33	-1.0	-73.21	284.51	2.64	-70.57
CC1=CC=C(Br)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804339	0	33	-1.0	-48.89	278.68	3.95	-44.94
CC1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804340	0	33	-1.0	-49.21	276.41	3.84	-45.37
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010804341	0	33	-1.0	-53.60	287.54	3.97	-49.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804342	0	41	-1.0	-45.82	349.37	0.58	-45.24
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010804343	0	29	-1.0	-55.22	273.96	2.83	-52.39
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C12	REAL300010804344	0	41	-1.0	-48.91	331.33	3.66	-45.25
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010804345	0	33	-1.0	-47.38	305.04	4.85	-42.53
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804346	0	38	-1.0	-62.93	327.16	1.20	-61.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010804347	0	29	-1.0	-43.77	267.38	1.71	-42.06
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1C	REAL300010804348	0	36	-1.0	-58.96	299.22	3.47	-55.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804349	0	35	-1.0	-45.03	300.84	1.89	-43.14
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(Cl)S1	REAL300010804350	0	33	-1.0	-56.27	312.32	-0.13	-56.40
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010804351	0	38	-1.0	-53.53	305.72	3.98	-49.55
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804352	0	40	-1.0	-51.57	321.87	4.22	-47.35
CC1=C(C)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804353	0	33	-1.0	-50.55	284.77	3.67	-46.88
COCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804354	0	37	-1.0	-50.99	305.14	2.76	-48.23
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804355	0	39	-1.0	-54.15	340.47	2.74	-51.41
O=C([O-])C1COCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010804356	0	41	-1.0	-65.92	312.09	8.87	-57.05
CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010804357	0	33	-1.0	-49.07	273.86	3.77	-45.30
CC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010804358	0	35	-1.0	-46.18	309.01	4.17	-42.01
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010804359	0	41	-1.0	-50.71	357.89	2.18	-48.53
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300010804360	0	43	-1.0	-50.48	348.38	5.66	-44.82
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804361	0	34	-1.0	-56.91	306.53	4.60	-52.31
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010804362	0	39	-1.0	-56.55	316.23	6.76	-49.79
CC1(C)CN(S(=O)(=O)N2CCOCC2C(=O)[O-])CCO1	REAL300010804363	0	39	-1.0	-48.58	297.90	1.46	-47.12
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010804364	0	33	-1.0	-46.45	276.06	1.70	-44.75
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010804365	0	38	-1.0	-72.10	308.38	5.11	-66.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010804366	0	36	-1.0	-57.41	301.52	4.39	-53.02
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010804367	0	43	-1.0	-65.01	343.80	4.43	-60.58
O=C([O-])C1COCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010804368	0	42	-1.0	-50.43	327.97	0.21	-50.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010804369	0	36	-1.0	-44.56	318.71	1.14	-43.42
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804370	0	39	-1.0	-52.46	333.08	4.70	-47.76
COCC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804371	0	37	-1.0	-51.63	297.33	3.08	-48.55
CCC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010804372	0	39	-1.0	-49.07	331.04	3.31	-45.76
O=C([O-])C1COCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010804373	0	47	-1.0	-57.71	367.17	4.97	-52.74
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804374	0	43	-1.0	-52.35	357.70	4.72	-47.63
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Cl)=C1	REAL300010804375	0	31	-1.0	-42.64	275.93	3.59	-39.05
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804376	0	34	-1.0	-51.10	303.04	3.62	-47.48
O=C([O-])C1COCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010804377	0	37	-1.0	-55.00	301.36	3.01	-51.99
O=C([O-])C1COCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010804378	0	35	-1.0	-49.88	298.86	3.19	-46.69
O=C([O-])C1COCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010804379	0	50	-1.0	-65.02	369.12	4.64	-60.38
O=C([O-])C1COCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010804380	0	44	-1.0	-54.54	347.77	3.50	-51.04
O=C([O-])C1COCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010804381	0	41	-1.0	-56.23	352.95	4.04	-52.19
CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010804382	0	33	-1.0	-50.04	274.84	3.69	-46.35
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804383	0	36	-1.0	-45.73	299.14	0.67	-45.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010804384	0	32	-1.0	-43.76	287.96	2.57	-41.19
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC=N1	REAL300010804385	0	32	-1.0	-54.15	286.18	1.49	-52.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804386	0	36	-1.0	-50.57	309.83	3.67	-46.90
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1F	REAL300010804388	0	37	-1.0	-47.17	289.72	2.70	-44.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010804389	0	37	-1.0	-57.94	316.56	3.78	-54.16
COC(=O)C1CCCCC1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804390	0	42	-1.0	-59.60	317.72	4.41	-55.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804391	0	45	-1.0	-52.61	347.82	4.51	-48.10
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804392	0	38	-1.0	-53.17	324.10	5.10	-48.07
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804393	0	37	-1.0	-63.08	308.93	2.14	-60.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804394	0	38	-1.0	-42.63	303.06	4.52	-38.11
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010804395	0	35	-1.0	-53.65	307.78	3.63	-50.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010804396	0	30	-1.0	-48.24	279.99	4.34	-43.90
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010804397	0	32	-1.0	-63.31	269.38	4.43	-58.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010804398	0	27	-1.0	-44.61	256.23	1.97	-42.64
N#CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCCCC1	REAL300010804399	0	40	-1.0	-48.67	309.38	4.09	-44.58
CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCCCC1	REAL300010804400	0	42	-1.0	-49.64	304.20	4.69	-44.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010804401	0	32	-1.0	-57.74	278.25	3.73	-54.01
COC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804402	0	34	-1.0	-49.60	300.82	2.97	-46.63
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1C	REAL300010804403	0	40	-1.0	-47.92	334.67	4.17	-43.75
O=C([O-])C1COCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010804404	0	43	-1.0	-60.02	365.89	4.32	-55.70
CCC1=NOC2=NC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C12	REAL300010804405	0	37	-1.0	-44.53	313.72	0.97	-43.56
CCC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804406	0	32	-1.0	-50.67	281.61	1.75	-48.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010804407	0	42	-1.0	-52.77	336.41	4.74	-48.03
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010804408	0	30	-1.0	-57.69	270.88	4.23	-53.46
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Cl)=N1	REAL300010804409	0	32	-1.0	-45.78	271.93	1.95	-43.83
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804410	0	35	-1.0	-48.86	296.92	3.37	-45.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010804411	0	37	-1.0	-50.22	312.82	4.67	-45.55
CSC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804412	0	34	-1.0	-51.36	305.17	4.51	-46.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804413	0	32	-1.0	-42.16	289.95	3.61	-38.55
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804414	0	40	-1.0	-56.95	336.70	-0.18	-57.13
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN=C1Cl	REAL300010804415	0	33	-1.0	-47.73	290.90	0.92	-46.81
CC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804416	0	35	-1.0	-46.74	292.76	3.51	-43.23
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804417	0	39	-1.0	-44.23	325.98	4.01	-40.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010804418	0	45	-1.0	-45.25	363.77	3.45	-41.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010804419	0	29	-1.0	-41.35	272.90	3.08	-38.27
CCC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804421	0	39	-1.0	-52.41	320.94	5.40	-47.01
CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804422	0	36	-1.0	-54.44	304.82	4.68	-49.76
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804423	0	33	-1.0	-48.40	276.52	3.97	-44.43
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010804424	0	34	-1.0	-51.45	282.25	2.72	-48.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010804425	0	30	-1.0	-44.19	275.82	3.66	-40.53
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804426	0	38	-1.0	-57.92	306.15	3.75	-54.17
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010804427	0	39	-1.0	-54.24	311.94	4.39	-49.85
CC1=CC=CC(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804428	0	33	-1.0	-58.06	275.35	4.35	-53.71
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804429	0	44	-1.0	-55.17	368.80	4.17	-51.00
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2CCCN12	REAL300010804430	0	34	-1.0	-57.39	277.09	2.44	-54.95
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804431	0	31	-1.0	-49.06	275.77	3.57	-45.49
CC1=NC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=CS1	REAL300010804432	0	32	-1.0	-57.48	284.65	1.64	-55.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010804433	0	33	-1.0	-57.67	296.30	2.26	-55.41
COC(=O)CCCCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804434	0	41	-1.0	-54.23	338.09	4.08	-50.15
CN1N=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CN=C21	REAL300010804435	0	35	-1.0	-44.77	293.00	2.06	-42.71
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804436	0	38	-1.0	-58.97	319.69	1.47	-57.50
CCN1N=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010805001	0	33	-1.0	-49.63	298.30	2.14	-47.49
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010805002	0	34	-1.0	-52.41	302.83	4.83	-47.58
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCOCC1C(=O)[O-])=C2	REAL300010805003	0	36	-1.0	-49.69	336.83	4.47	-45.22
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010805004	0	30	-1.0	-52.71	282.03	4.37	-48.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010805005	0	32	-1.0	-40.07	290.16	2.28	-37.79
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010805006	0	35	-1.0	-67.70	314.35	4.63	-63.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010805007	0	35	-1.0	-52.17	304.66	3.99	-48.18
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010805008	0	32	-1.0	-40.07	290.16	2.28	-37.79
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010805009	0	39	-1.0	-55.43	302.93	5.48	-49.95
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805010	0	34	-1.0	-53.87	305.06	4.57	-49.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010805011	0	37	-1.0	-49.87	307.94	3.40	-46.47
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010805012	0	44	-1.0	-51.69	356.08	4.85	-46.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010805013	0	30	-1.0	-40.59	276.36	3.59	-37.00
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])O1	REAL300010805014	0	36	-1.0	-59.86	317.17	0.18	-59.68
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010805015	0	40	-1.0	-58.35	329.93	4.21	-54.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010805016	0	36	-1.0	-50.38	327.53	0.30	-50.08
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010805017	0	34	-1.0	-46.94	290.99	4.37	-42.57
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010805018	0	34	-1.0	-49.07	307.60	4.97	-44.10
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010805019	0	34	-1.0	-46.70	305.87	4.93	-41.77
O=C([O-])C1COCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010805020	0	35	-1.0	-51.58	297.50	-2.81	-54.39
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010805021	0	33	-1.0	-57.83	276.11	3.38	-54.45
O=C([O-])C1COCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300010805022	0	36	-1.0	-48.30	285.30	3.50	-44.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010805023	0	32	-1.0	-46.95	279.55	2.32	-44.63
O=C([O-])C1COCCN1S(=O)(=O)CCOC1CCOC1	REAL300010805024	0	38	-1.0	-51.64	309.11	0.43	-51.21
CC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010805025	0	39	-1.0	-61.24	329.83	3.30	-57.94
O=C([O-])C1COCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010805026	0	47	-1.0	-52.50	331.34	6.07	-46.43
CC1(C)COC(CS(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010805027	0	40	-1.0	-51.21	314.97	2.52	-48.69
O=C([O-])C1COCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010805028	0	33	-1.0	-53.65	285.30	-1.07	-54.72
CC(C)(CS(=O)(=O)N1CCOCC1C(=O)[O-])C(C)(F)F	REAL300010805029	0	38	-1.0	-49.65	293.29	3.62	-46.03
CS(=O)(=O)CCCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805030	0	38	-1.0	-59.19	324.77	0.04	-59.15
CC1(C)CCC(CS(=O)(=O)N2CCOCC2C(=O)[O-])OC1	REAL300010805031	0	43	-1.0	-50.37	329.02	3.36	-47.01
CCOC(=O)C1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C2C=CC=CN21	REAL300010805032	0	42	-1.0	-70.48	357.94	5.43	-65.05
O=C([O-])C1COCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010805033	0	40	-1.0	-49.81	324.82	5.53	-44.28
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010805034	0	34	-1.0	-50.94	302.34	2.29	-48.65
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2C=C1	REAL300010805035	0	39	-1.0	-54.60	338.20	4.79	-49.81
O=C([O-])C1COCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010805036	0	40	-1.0	-49.51	336.40	6.12	-43.39
O=C([O-])C1COCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010805037	0	39	-1.0	-56.46	307.42	1.02	-55.44
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805038	0	39	-1.0	-57.39	327.25	4.12	-53.27
O=C([O-])C1COCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010805039	0	43	-1.0	-50.53	322.14	5.22	-45.31
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010805040	0	34	-1.0	-50.35	295.46	4.56	-45.79
COC(=O)C1CCCCN1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805041	0	41	-1.0	-53.22	317.63	3.62	-49.60
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010805042	0	52	-1.0	-51.83	379.74	7.21	-44.62
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805043	0	33	-1.0	-38.36	295.43	3.82	-34.54
COC1=CC=C(C=C(C)S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010805044	0	41	-1.0	-51.14	328.77	4.16	-46.98
CC1=CC=CC(CNS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805045	0	38	-1.0	-48.07	314.95	3.36	-44.71
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=NN1	REAL300010805046	0	36	-1.0	-50.33	315.68	0.77	-49.56
COC1=CSC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300010805047	0	35	-1.0	-48.32	303.07	1.95	-46.37
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805048	0	33	-1.0	-43.55	306.04	2.48	-41.07
O=C([O-])C1COCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010805049	0	42	-1.0	-52.19	311.96	3.68	-48.51
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805050	0	41	-1.0	-49.97	329.70	4.99	-44.98
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805051	0	34	-1.0	-57.46	306.05	4.14	-53.32
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010805052	0	34	-1.0	-49.82	295.56	3.95	-45.87
COC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010805053	0	34	-1.0	-57.15	290.22	3.05	-54.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010805054	0	34	-1.0	-46.36	295.47	2.67	-43.69
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805055	0	36	-1.0	-55.01	295.32	3.41	-51.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010805056	0	33	-1.0	-52.70	280.51	4.33	-48.37
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010805057	0	39	-1.0	-48.35	328.87	3.53	-44.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010805058	0	27	-1.0	-42.27	276.88	3.37	-38.90
CN1N=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010805059	0	30	-1.0	-48.69	266.42	0.82	-47.87
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805060	0	43	-1.0	-57.80	344.11	5.82	-51.98
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010805061	0	47	-1.0	-47.86	368.55	4.83	-43.03
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010805062	0	33	-1.0	-51.61	307.31	4.26	-47.35
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010805063	0	35	-1.0	-49.52	304.88	3.96	-45.56
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805064	0	38	-1.0	-57.63	309.04	2.52	-55.11
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010805065	0	41	-1.0	-51.27	341.87	6.22	-45.05
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805066	0	36	-1.0	-60.78	290.02	4.75	-56.03
COC(=O)C1=CNN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805067	0	33	-1.0	-57.35	284.69	0.99	-56.36
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010805068	0	35	-1.0	-57.60	306.83	1.94	-55.66
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010805069	0	31	-1.0	-46.50	292.34	1.99	-44.51
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805070	0	32	-1.0	-50.32	267.60	1.95	-48.37
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805071	0	41	-1.0	-57.46	333.69	4.67	-52.79
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CC2)=N1	REAL300010805072	0	40	-1.0	-51.15	331.39	3.92	-47.23
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300010805073	0	34	-1.0	-53.39	276.09	2.97	-50.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010805074	0	36	-1.0	-48.39	312.71	5.81	-42.58
CC(=O)OC1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010805075	0	38	-1.0	-52.48	311.76	2.57	-49.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010805076	0	40	-1.0	-47.73	339.55	6.86	-40.87
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C(Cl)S1	REAL300010805077	0	33	-1.0	-61.04	310.00	4.03	-57.01
CCC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010805078	0	36	-1.0	-45.21	307.67	4.81	-40.40
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805079	0	43	-1.0	-51.34	341.47	4.02	-47.32
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300010805080	0	27	-1.0	-48.64	260.37	2.73	-45.91
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805081	0	44	-1.0	-57.09	352.61	3.46	-53.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010805082	0	36	-1.0	-53.18	309.44	5.97	-47.21
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805083	0	38	-1.0	-52.11	301.60	1.12	-50.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010805084	0	37	-1.0	-54.75	279.63	4.57	-50.18
CC1(C)CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010805085	0	41	-1.0	-48.52	303.54	3.30	-45.22
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(CO)CC1	REAL300010805086	0	39	-1.0	-50.15	297.29	-0.56	-50.71
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805087	0	44	-1.0	-62.19	370.05	3.71	-58.48
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010805088	0	45	-1.0	-51.07	354.59	3.64	-47.43
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805089	0	33	-1.0	-48.27	290.78	0.86	-47.41
COC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010805090	0	36	-1.0	-49.73	297.36	0.37	-49.36
CC(C)CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010805091	0	39	-1.0	-55.37	318.89	3.21	-52.16
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805092	0	39	-1.0	-49.71	307.63	2.42	-47.29
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010805093	0	29	-1.0	-43.91	282.94	0.94	-42.97
O=C([O-])C1COCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010805094	0	40	-1.0	-42.02	304.68	0.52	-41.50
COCC1=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=NO1	REAL300010805095	0	36	-1.0	-60.11	308.65	1.12	-58.99
N#CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC=C1	REAL300010805096	0	28	-1.0	-45.67	261.64	2.73	-42.94
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010805097	0	33	-1.0	-64.97	299.52	2.84	-62.13
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010805098	0	28	-1.0	-49.99	268.93	0.31	-49.68
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010805099	0	34	-1.0	-61.97	300.23	1.31	-60.66
CC1=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)S1	REAL300010805100	0	36	-1.0	-53.53	295.95	4.75	-48.78
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC=C1Cl	REAL300010805101	0	29	-1.0	-56.74	257.96	2.67	-54.07
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805102	0	34	-1.0	-53.95	297.32	3.57	-50.38
COC1=CC=NC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805103	0	33	-1.0	-54.77	272.03	1.00	-53.77
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010805104	0	32	-1.0	-52.45	290.40	2.90	-49.55
COC1=NC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010805105	0	33	-1.0	-45.45	291.67	0.44	-45.01
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010805106	0	39	-1.0	-57.90	336.07	1.95	-55.95
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805107	0	37	-1.0	-54.41	309.37	0.90	-53.51
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010805108	0	34	-1.0	-49.01	315.53	5.24	-43.77
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010805109	0	35	-1.0	-47.78	306.02	4.97	-42.81
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010805110	0	29	-1.0	-53.02	277.13	2.57	-50.45
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1	REAL300010805111	0	41	-1.0	-50.27	328.54	3.32	-46.95
CC(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805112	0	36	-1.0	-49.33	287.90	2.25	-47.08
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CN=C12	REAL300010805113	0	38	-1.0	-55.60	305.95	4.32	-51.28
COC(=O)C1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010805114	0	38	-1.0	-42.61	314.90	2.20	-40.41
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805115	0	33	-1.0	-56.49	290.10	4.83	-51.66
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010805116	0	37	-1.0	-47.91	301.82	2.69	-45.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010805117	0	37	-1.0	-53.96	308.21	4.37	-49.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010805118	0	32	-1.0	-47.73	284.29	1.86	-45.87
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300010805119	0	35	-1.0	-54.24	287.29	3.75	-50.49
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=NN1C(C)C	REAL300010805120	0	39	-1.0	-56.71	307.67	2.28	-54.43
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010805121	0	37	-1.0	-51.71	311.55	5.50	-46.21
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010805122	0	32	-1.0	-45.84	277.46	2.09	-43.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010805123	0	30	-1.0	-48.43	268.94	3.76	-44.67
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=C1NCCC2	REAL300010805124	0	42	-1.0	-54.83	320.49	3.83	-51.00
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010805125	0	44	-1.0	-47.77	357.43	6.39	-41.38
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010805126	0	37	-1.0	-54.38	313.34	5.55	-48.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010805127	0	27	-1.0	-44.77	250.26	2.23	-42.54
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010805128	0	34	-1.0	-47.04	299.87	3.35	-43.69
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805129	0	32	-1.0	-50.43	272.20	2.01	-48.42
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010805130	0	35	-1.0	-55.48	292.60	3.35	-52.13
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805131	0	39	-1.0	-54.03	318.16	4.75	-49.28
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010805132	0	41	-1.0	-53.02	334.26	7.14	-45.88
CC1=CN=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300010805133	0	35	-1.0	-51.02	289.03	2.41	-48.61
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010805134	0	33	-1.0	-57.41	288.52	3.97	-53.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010805135	0	29	-1.0	-44.39	266.43	1.84	-42.55
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010805136	0	32	-1.0	-57.10	270.90	3.19	-53.91
O=C([O-])C1COCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010805137	0	33	-1.0	-46.95	279.95	2.83	-44.12
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805138	0	38	-1.0	-55.38	311.03	-0.70	-56.08
O=C([O-])C1COCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300010805139	0	37	-1.0	-49.69	282.87	1.25	-48.44
N#CC1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010805140	0	36	-1.0	-49.87	290.46	2.71	-47.16
CC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010805141	0	32	-1.0	-50.92	289.70	2.99	-47.93
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010805142	0	29	-1.0	-49.46	282.69	3.12	-46.34
O=C([O-])C1COCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010805143	0	34	-1.0	-54.95	303.38	2.23	-52.72
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010805144	0	34	-1.0	-46.94	290.99	4.37	-42.57
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010805145	0	34	-1.0	-46.86	301.30	4.83	-42.03
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805146	0	39	-1.0	-61.03	330.12	2.62	-58.41
COC1=CC=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805147	0	33	-1.0	-56.27	278.76	1.42	-54.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010805148	0	37	-1.0	-51.91	289.12	4.60	-47.31
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010805149	0	33	-1.0	-44.98	288.91	4.23	-40.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010805150	0	34	-1.0	-42.56	300.48	2.83	-39.73
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(F)F)=C1	REAL300010805151	0	37	-1.0	-57.19	302.57	3.52	-53.67
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(=O)OC	REAL300010805152	0	43	-1.0	-46.02	352.54	4.55	-41.47
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C1	REAL300010805153	0	43	-1.0	-57.21	349.30	5.58	-51.63
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1	REAL300010805154	0	33	-1.0	-49.99	281.52	0.31	-49.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805155	0	36	-1.0	-48.50	313.23	1.34	-47.16
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805156	0	36	-1.0	-52.38	318.06	4.96	-47.42
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805157	0	35	-1.0	-58.44	290.90	2.47	-55.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805158	0	36	-1.0	-72.39	304.78	4.60	-67.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010805159	0	35	-1.0	-50.99	279.94	2.97	-48.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010805160	0	30	-1.0	-47.57	261.04	3.66	-43.91
CCOC1=CC=CN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805161	0	36	-1.0	-61.59	299.12	2.95	-58.64
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C=C1	REAL300010805162	0	41	-1.0	-52.41	346.53	4.04	-48.37
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C12	REAL300010805163	0	38	-1.0	-59.44	305.44	4.64	-54.80
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010805164	0	26	-1.0	-43.36	260.06	1.46	-41.90
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(C)=N1	REAL300010805165	0	35	-1.0	-50.60	291.45	2.75	-47.85
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(F)(F)C1	REAL300010805166	0	32	-1.0	-47.10	269.40	1.84	-45.26
NC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805167	0	32	-1.0	-48.09	285.00	1.42	-46.67
O=C([O-])C1COCCN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300010805168	0	37	-1.0	-52.00	301.23	6.69	-45.31
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010805169	0	32	-1.0	-45.96	284.33	2.26	-43.70
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010805170	0	32	-1.0	-52.00	265.64	2.83	-49.17
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C(Cl)S1	REAL300010805171	0	30	-1.0	-51.05	266.25	3.09	-47.96
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010805172	0	32	-1.0	-56.69	281.52	2.98	-53.71
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010805173	0	37	-1.0	-46.40	321.80	3.85	-42.55
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCOCC1C(=O)[O-])C2	REAL300010805174	0	47	-1.0	-56.93	326.05	8.12	-48.81
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805175	0	43	-1.0	-55.72	334.64	5.06	-50.66
CC1=CC=C(O)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805176	0	34	-1.0	-52.20	278.74	1.51	-50.69
O=C([O-])C1COCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010805177	1	35	-1.0	-54.76	301.34	2.55	-52.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010805178	0	35	-1.0	-63.33	310.06	7.07	-56.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010805179	0	29	-1.0	-49.59	273.87	4.77	-44.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010805180	0	29	-1.0	-48.19	264.28	4.58	-43.61
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805181	0	41	-1.0	-59.92	314.87	7.18	-52.74
COC(=O)CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805182	0	38	-1.0	-61.69	322.95	5.34	-56.35
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805183	0	35	-1.0	-59.56	296.60	5.80	-53.76
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805184	0	38	-1.0	-56.75	331.92	6.59	-50.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010805185	0	29	-1.0	-44.48	277.51	5.00	-39.48
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805186	0	35	-1.0	-57.55	312.96	5.42	-52.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805187	0	41	-1.0	-59.36	331.54	7.31	-52.05
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805188	0	41	-1.0	-59.36	333.97	7.58	-51.78
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805189	0	46	-1.0	-60.10	392.09	4.71	-55.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805190	0	40	-1.0	-60.72	350.84	2.99	-57.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010805191	0	33	-1.0	-46.18	288.27	0.97	-45.21
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805192	0	39	-1.0	-62.37	337.23	4.01	-58.36
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010805193	0	31	-1.0	-40.19	286.91	5.07	-35.12
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010805194	0	29	-1.0	-61.41	279.56	5.96	-55.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010805195	0	29	-1.0	-42.59	279.98	5.01	-37.58
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805196	0	33	-1.0	-61.13	307.33	4.65	-56.48
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805197	0	40	-1.0	-66.03	337.23	3.38	-62.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010805198	0	29	-1.0	-61.26	271.59	4.75	-56.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010805199	0	29	-1.0	-44.17	285.93	5.18	-38.99
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010805200	0	35	-1.0	-43.40	330.39	6.17	-37.23
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805201	0	41	-1.0	-54.21	361.94	5.45	-48.76
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805202	0	41	-1.0	-73.97	358.43	6.86	-67.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010805203	0	29	-1.0	-43.01	272.39	4.65	-38.36
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010805204	0	32	-1.0	-61.56	300.84	6.91	-54.65
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010805205	0	32	-1.0	-57.03	296.93	5.86	-51.17
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1NC(C)=O	REAL300010805206	0	40	-1.0	-75.54	342.34	2.98	-72.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010805207	0	33	-1.0	-56.22	301.28	4.78	-51.44
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010805208	0	44	-1.0	-60.63	328.09	7.62	-53.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010805209	0	38	-1.0	-59.75	320.25	4.62	-55.13
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805210	0	34	-1.0	-65.82	301.64	5.87	-59.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010805211	0	26	-1.0	-43.47	266.68	3.92	-39.55
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010805212	0	35	-1.0	-43.18	301.81	6.35	-36.83
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805213	0	33	-1.0	-62.29	302.47	5.11	-57.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805214	0	47	-1.0	-49.77	350.79	7.74	-42.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010805215	0	45	-1.0	-59.13	357.16	8.80	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010805216	0	32	-1.0	-56.21	296.06	5.70	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010805217	0	39	-1.0	-61.01	320.17	7.17	-53.84
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805218	0	37	-1.0	-65.83	310.65	3.78	-62.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805219	0	37	-1.0	-61.45	316.18	3.87	-57.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010805220	0	39	-1.0	-58.56	352.53	4.58	-53.98
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805221	0	36	-1.0	-49.91	327.66	2.36	-47.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010805222	0	37	-1.0	-60.41	309.78	7.39	-53.02
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805223	0	39	-1.0	-68.92	320.39	3.59	-65.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010805224	0	26	-1.0	-54.71	273.62	4.59	-50.12
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805225	0	44	-1.0	-59.58	358.79	8.50	-51.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010805226	0	35	-1.0	-67.00	292.87	6.51	-60.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010805227	0	39	-1.0	-60.27	329.49	8.40	-51.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010805228	0	32	-1.0	-41.77	297.43	5.39	-36.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010805229	0	29	-1.0	-55.06	296.36	6.43	-48.63
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805230	0	44	-1.0	-59.41	345.74	7.78	-51.63
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805231	0	32	-1.0	-57.57	292.89	5.79	-51.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010805232	0	29	-1.0	-42.30	271.43	4.34	-37.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010805233	0	29	-1.0	-56.08	286.07	5.30	-50.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010805234	0	32	-1.0	-60.51	297.78	5.63	-54.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010805235	0	29	-1.0	-56.19	286.06	5.29	-50.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010805236	0	29	-1.0	-56.04	271.75	4.73	-51.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010805237	0	32	-1.0	-53.31	301.76	5.74	-47.57
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010805238	0	34	-1.0	-72.81	292.97	5.66	-67.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010805239	0	32	-1.0	-61.54	290.50	6.46	-55.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010805240	0	40	-1.0	-58.42	360.97	8.41	-50.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010805241	0	29	-1.0	-64.67	275.21	5.13	-59.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010805242	0	29	-1.0	-42.22	267.02	4.54	-37.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805243	0	35	-1.0	-46.46	309.59	4.78	-41.68
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805244	0	33	-1.0	-61.85	293.14	4.05	-57.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010805245	0	29	-1.0	-59.47	272.36	5.01	-54.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010805246	0	29	-1.0	-57.15	284.43	5.35	-51.80
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300010805247	0	44	-1.0	-57.97	373.48	7.13	-50.84
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805248	0	36	-1.0	-61.75	327.60	4.20	-57.55
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010805249	0	45	-1.0	-55.27	358.51	7.13	-48.14
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010805250	0	32	-1.0	-61.37	298.40	6.53	-54.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010805251	0	32	-1.0	-43.65	308.67	5.91	-37.74
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010805252	0	39	-1.0	-54.79	318.71	5.58	-49.21
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010805253	0	36	-1.0	-59.36	308.02	2.13	-57.23
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010805254	0	37	-1.0	-60.85	319.24	2.06	-58.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805255	0	34	-1.0	-54.03	291.59	6.04	-47.99
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805256	0	36	-1.0	-54.62	311.69	3.02	-51.60
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805257	0	34	-1.0	-55.58	287.37	5.86	-49.72
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805258	0	35	-1.0	-45.93	324.08	5.31	-40.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010805259	0	28	-1.0	-47.76	271.93	3.21	-44.55
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805260	0	38	-1.0	-73.19	340.36	3.20	-69.99
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010805261	0	36	-1.0	-70.95	319.45	3.68	-67.27
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010805262	0	43	-1.0	-71.93	349.10	6.27	-65.66
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010805263	0	39	-1.0	-59.87	309.36	5.29	-54.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010805264	0	29	-1.0	-58.13	273.59	4.96	-53.17
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010805265	0	40	-1.0	-48.59	335.95	3.66	-44.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010805266	0	32	-1.0	-62.31	302.03	6.18	-56.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010805267	0	29	-1.0	-56.74	293.56	5.76	-50.98
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805268	0	42	-1.0	-68.69	359.02	4.78	-63.91
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805269	0	43	-1.0	-68.48	363.45	3.50	-64.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805270	0	37	-1.0	-52.27	311.62	6.49	-45.78
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805271	0	41	-1.0	-59.69	336.49	7.67	-52.02
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805272	0	39	-1.0	-59.58	331.90	5.50	-54.08
COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805273	0	41	-1.0	-51.83	325.50	3.09	-48.74
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805274	0	32	-1.0	-49.16	281.32	5.19	-43.97
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805275	0	45	-1.0	-57.83	367.20	7.32	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010805276	0	43	-1.0	-58.79	349.33	7.18	-51.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805277	0	42	-1.0	-58.05	348.24	6.71	-51.34
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805278	0	39	-1.0	-58.06	328.13	6.01	-52.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805279	0	33	-1.0	-61.10	302.95	4.54	-56.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010805280	0	33	-1.0	-59.41	312.70	4.81	-54.60
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300010805281	0	42	-1.0	-59.54	346.79	6.27	-53.27
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805282	0	40	-1.0	-60.34	340.26	4.49	-55.85
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805283	0	40	-1.0	-66.07	343.30	3.83	-62.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010805284	0	44	-1.0	-59.50	361.42	4.49	-55.01
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010805285	0	32	-1.0	-47.05	282.04	5.14	-41.91
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805286	0	35	-1.0	-49.89	323.00	2.05	-47.84
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805287	0	35	-1.0	-72.25	320.47	6.72	-65.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010805288	0	34	-1.0	-62.95	298.41	5.08	-57.87
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805289	0	35	-1.0	-45.66	328.65	5.42	-40.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805290	0	33	-1.0	-52.10	287.61	4.56	-47.54
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805291	0	33	-1.0	-64.07	303.76	6.00	-58.07
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805292	0	46	-1.0	-64.88	393.31	4.17	-60.71
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010805293	0	39	-1.0	-63.50	339.51	5.38	-58.12
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010805294	0	38	-1.0	-57.66	328.24	5.87	-51.79
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805295	0	39	-1.0	-64.38	329.91	0.51	-63.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010805296	0	38	-1.0	-65.22	326.09	4.76	-60.46
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010805297	0	38	-1.0	-57.50	324.60	5.51	-51.99
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805298	0	38	-1.0	-52.91	304.13	3.78	-49.13
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805299	0	38	-1.0	-50.65	317.64	5.02	-45.63
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805300	0	41	-1.0	-64.16	312.13	7.27	-56.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010805301	0	42	-1.0	-56.50	353.58	6.82	-49.68
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805302	0	37	-1.0	-75.25	323.55	4.09	-71.16
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1Cl	REAL300010805303	0	36	-1.0	-63.99	335.23	4.48	-59.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010805304	0	36	-1.0	-60.28	318.04	5.36	-54.92
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1F	REAL300010805305	0	35	-1.0	-63.91	321.25	5.35	-58.56
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010805306	0	33	-1.0	-45.45	306.26	4.35	-41.10
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010805307	0	39	-1.0	-54.44	343.82	6.02	-48.42
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(Br)O1	REAL300010805308	0	32	-1.0	-52.72	310.42	3.88	-48.84
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C(Br)S1	REAL300010805309	0	29	-1.0	-55.16	279.53	5.21	-49.95
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1	REAL300010805310	0	33	-1.0	-67.19	300.84	3.04	-64.15
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805311	0	30	-1.0	-57.79	293.64	5.49	-52.30
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805312	0	37	-1.0	-45.99	296.65	6.51	-39.48
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805313	0	35	-1.0	-62.97	319.24	5.46	-57.51
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805314	0	38	-1.0	-66.57	326.24	2.48	-64.09
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010805315	0	33	-1.0	-62.80	304.14	6.84	-55.96
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010805316	0	30	-1.0	-54.30	293.66	5.49	-48.81
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805317	0	45	-1.0	-58.56	366.26	6.72	-51.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010805318	0	40	-1.0	-51.28	340.64	4.14	-47.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010805319	0	41	-1.0	-61.28	366.39	2.54	-58.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805320	0	37	-1.0	-61.01	331.95	1.16	-59.85
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805321	0	39	-1.0	-55.12	349.14	3.11	-52.01
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300010805322	0	32	-1.0	-44.32	288.81	2.87	-41.45
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805323	0	35	-1.0	-49.49	310.97	3.65	-45.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010805324	0	31	-1.0	-69.48	278.77	6.24	-63.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010805325	0	32	-1.0	-61.47	314.13	6.57	-54.90
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)N1	REAL300010805326	0	42	-1.0	-57.13	352.30	5.39	-51.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010805327	0	29	-1.0	-46.32	263.50	4.86	-41.46
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300010805328	0	35	-1.0	-52.10	332.49	4.75	-47.35
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010805329	0	49	-1.0	-57.77	389.87	8.61	-49.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010805330	0	39	-1.0	-60.68	349.86	3.74	-56.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010805331	0	29	-1.0	-48.39	280.36	5.25	-43.14
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805332	0	38	-1.0	-56.67	317.49	5.36	-51.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010805333	0	31	-1.0	-73.19	293.87	6.73	-66.46
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805334	0	37	-1.0	-62.33	317.70	3.83	-58.50
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805335	0	40	-1.0	-53.05	321.46	3.90	-49.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010805336	0	31	-1.0	-64.29	300.04	6.85	-57.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010805337	0	32	-1.0	-47.85	289.52	5.14	-42.71
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805338	0	30	-1.0	-42.60	283.38	4.79	-37.81
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010805339	0	35	-1.0	-44.29	315.28	5.12	-39.17
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805340	0	32	-1.0	-57.59	296.93	5.88	-51.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010805341	0	33	-1.0	-46.88	299.93	1.41	-45.47
COC(=O)CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805342	0	35	-1.0	-48.62	312.47	2.86	-45.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010805343	0	35	-1.0	-50.94	304.76	6.65	-44.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010805344	0	34	-1.0	-59.00	312.36	7.06	-51.94
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805345	0	29	-1.0	-42.57	282.40	4.38	-38.19
CC1=C(Br)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805346	0	34	-1.0	-41.24	314.66	5.84	-35.40
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300010805347	0	35	-1.0	-45.84	318.18	4.90	-40.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010805348	0	47	-1.0	-58.59	344.08	6.49	-52.10
CC1=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300010805349	0	37	-1.0	-73.89	314.49	6.23	-67.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010805350	0	40	-1.0	-52.64	330.24	2.62	-50.02
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Br	REAL300010805351	0	32	-1.0	-47.78	282.85	5.21	-42.57
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805352	0	35	-1.0	-74.62	316.84	5.83	-68.79
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010805353	0	37	-1.0	-52.57	311.45	2.04	-50.53
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010805354	0	35	-1.0	-55.51	312.97	5.42	-50.09
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805355	0	35	-1.0	-58.88	304.57	5.97	-52.91
COCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805356	0	36	-1.0	-45.80	312.85	1.70	-44.10
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010805357	0	35	-1.0	-58.42	328.48	5.81	-52.61
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010805358	0	42	-1.0	-54.72	340.56	6.50	-48.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805359	0	39	-1.0	-66.45	323.96	6.06	-60.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010805360	0	34	-1.0	-76.51	305.77	4.84	-71.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010805361	0	36	-1.0	-50.51	313.66	5.21	-45.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010805362	0	43	-1.0	-66.44	373.73	7.05	-59.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010805363	0	31	-1.0	-53.01	301.83	5.81	-47.20
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805364	0	43	-1.0	-60.30	362.11	5.45	-54.85
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805365	0	45	-1.0	-57.88	371.13	7.58	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010805366	0	31	-1.0	-64.93	284.94	6.70	-58.23
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010805367	0	35	-1.0	-59.48	316.76	5.36	-54.12
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010805368	0	35	-1.0	-44.75	329.54	5.58	-39.17
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805369	0	39	-1.0	-66.99	335.84	5.15	-61.84
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805370	0	32	-1.0	-54.37	297.30	3.73	-50.64
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805371	0	41	-1.0	-62.86	335.05	6.54	-56.32
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010805372	0	38	-1.0	-58.14	328.25	5.86	-52.28
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805373	0	35	-1.0	-64.83	313.76	5.27	-59.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010805374	0	39	-1.0	-66.02	314.88	7.30	-58.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010805375	0	35	-1.0	-62.29	305.47	6.64	-55.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010805376	0	28	-1.0	-55.02	273.68	3.51	-51.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010805377	0	33	-1.0	-57.12	311.67	6.45	-50.67
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805378	0	43	-1.0	-60.31	368.50	2.60	-57.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010805379	0	29	-1.0	-57.06	284.43	5.35	-51.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010805380	0	36	-1.0	-74.53	317.31	2.03	-72.50
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805381	0	32	-1.0	-59.24	283.71	5.48	-53.76
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010805382	0	33	-1.0	-56.40	307.34	4.65	-51.75
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010805383	0	40	-1.0	-51.71	330.07	5.41	-46.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805384	0	37	-1.0	-62.02	336.38	1.46	-60.56
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010805385	0	46	-1.0	-66.38	388.36	3.84	-62.54
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805386	0	33	-1.0	-61.53	296.65	4.19	-57.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805387	0	38	-1.0	-70.49	339.62	3.10	-67.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010805388	0	31	-1.0	-46.56	300.81	4.07	-42.49
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805389	0	34	-1.0	-68.29	305.70	5.22	-63.07
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805390	0	30	-1.0	-42.48	294.71	5.16	-37.32
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805391	0	36	-1.0	-60.78	329.19	5.58	-55.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010805392	0	34	-1.0	-59.18	308.02	0.16	-59.02
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2S1	REAL300010805393	0	43	-1.0	-51.24	365.54	6.10	-45.14
COC(=O)CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805394	0	38	-1.0	-61.69	322.95	5.34	-56.35
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805395	0	34	-1.0	-52.22	309.46	4.40	-47.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010805396	0	37	-1.0	-72.52	320.66	6.08	-66.44
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805397	0	45	-1.0	-69.45	391.74	3.66	-65.79
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010805398	0	35	-1.0	-47.64	292.25	0.57	-47.07
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805399	0	39	-1.0	-52.44	332.33	5.08	-47.36
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010805400	0	34	-1.0	-59.89	303.58	5.17	-54.72
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010805401	0	39	-1.0	-49.40	315.97	4.90	-44.50
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805402	0	37	-1.0	-62.63	334.05	0.85	-61.78
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805403	0	38	-1.0	-75.56	329.43	6.11	-69.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010805404	0	33	-1.0	-52.68	291.14	4.37	-48.31
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805405	0	33	-1.0	-58.15	295.49	6.01	-52.14
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805406	0	41	-1.0	-56.42	353.42	7.38	-49.04
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010805407	0	35	-1.0	-60.38	311.65	4.06	-56.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010805408	0	35	-1.0	-45.97	315.48	5.93	-40.04
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805409	0	40	-1.0	-62.52	330.05	6.67	-55.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010805410	0	28	-1.0	-41.81	270.76	2.95	-38.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010805411	0	35	-1.0	-64.88	295.57	4.27	-60.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010805412	0	34	-1.0	-61.99	287.81	4.62	-57.37
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805413	0	32	-1.0	-49.01	285.90	5.30	-43.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010805414	0	37	-1.0	-61.06	317.26	3.86	-57.20
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805415	0	45	-1.0	-62.87	370.43	5.92	-56.95
COC1=CC(Br)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805416	0	37	-1.0	-59.28	325.87	4.11	-55.17
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300010805417	0	43	-1.0	-59.29	359.89	5.72	-53.57
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300010805418	0	35	-1.0	-46.26	302.86	3.10	-43.16
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805419	0	34	-1.0	-61.92	309.52	-0.05	-61.97
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010805420	0	40	-1.0	-63.56	332.61	6.11	-57.45
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805421	0	43	-1.0	-71.76	350.13	6.28	-65.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805422	0	37	-1.0	-66.54	310.72	6.60	-59.94
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805423	0	35	-1.0	-57.07	310.06	5.66	-51.41
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805424	0	40	-1.0	-54.97	331.89	5.20	-49.77
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805425	0	36	-1.0	-59.81	311.73	3.27	-56.54
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2CC1C	REAL300010805426	0	43	-1.0	-64.79	346.86	5.73	-59.06
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=CS1	REAL300010805427	0	32	-1.0	-50.72	287.48	4.08	-46.64
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805428	0	32	-1.0	-46.90	300.89	3.96	-42.94
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010805429	0	33	-1.0	-58.77	314.08	5.86	-52.91
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805430	0	35	-1.0	-57.05	298.39	2.76	-54.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010805431	0	35	-1.0	-46.15	309.08	1.15	-45.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010805432	0	35	-1.0	-47.36	303.27	1.38	-45.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010805433	0	35	-1.0	-48.25	312.96	1.77	-46.48
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300010805434	0	37	-1.0	-72.82	314.30	6.31	-66.51
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010805435	0	35	-1.0	-77.10	306.61	5.51	-71.59
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805436	0	33	-1.0	-49.00	298.09	4.63	-44.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010805437	0	33	-1.0	-47.67	297.76	4.59	-43.08
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805438	0	34	-1.0	-62.95	311.62	-0.36	-63.31
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805439	0	35	-1.0	-60.14	307.34	4.81	-55.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010805440	0	41	-1.0	-66.95	366.46	2.53	-64.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010805441	0	34	-1.0	-63.55	308.96	6.23	-57.32
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300010805442	0	32	-1.0	-47.15	280.11	5.06	-42.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010805443	0	35	-1.0	-68.03	312.94	1.06	-66.97
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805444	0	35	-1.0	-64.41	316.04	2.51	-61.90
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C1=O	REAL300010805445	0	36	-1.0	-52.87	318.20	3.43	-49.44
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805446	0	37	-1.0	-61.62	324.60	6.22	-55.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010805447	0	38	-1.0	-48.07	307.85	5.53	-42.54
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010805448	0	37	-1.0	-62.25	307.94	5.45	-56.80
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805449	0	35	-1.0	-56.53	306.25	4.11	-52.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010805450	0	34	-1.0	-61.01	305.13	6.19	-54.82
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010805451	0	37	-1.0	-58.92	308.38	7.01	-51.91
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300010805452	0	43	-1.0	-64.86	352.41	5.37	-59.49
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805453	0	33	-1.0	-48.80	316.46	5.21	-43.59
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010805454	0	33	-1.0	-49.99	298.59	3.95	-46.04
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805455	0	40	-1.0	-61.79	353.04	2.68	-59.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010805456	0	29	-1.0	-42.21	265.09	4.47	-37.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010805457	0	31	-1.0	-54.29	286.66	6.32	-47.97
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010805458	0	41	-1.0	-73.40	343.37	4.03	-69.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010805459	0	39	-1.0	-52.17	316.99	7.63	-44.54
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805460	0	38	-1.0	-60.29	329.25	5.74	-54.55
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805461	0	43	-1.0	-68.73	349.07	4.88	-63.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010805462	0	29	-1.0	-55.94	276.59	5.61	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010805463	0	31	-1.0	-54.12	283.53	5.66	-48.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010805464	0	35	-1.0	-62.17	303.30	6.98	-55.19
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805465	0	36	-1.0	-64.30	311.65	3.87	-60.43
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805466	0	34	-1.0	-59.69	293.74	5.63	-54.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010805467	0	31	-1.0	-77.98	275.44	6.35	-71.63
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805468	0	36	-1.0	-63.05	323.95	6.04	-57.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010805469	0	35	-1.0	-60.14	301.92	3.84	-56.30
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805470	0	44	-1.0	-61.60	341.61	7.27	-54.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010805471	0	29	-1.0	-56.93	289.34	5.66	-51.27
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010805472	0	29	-1.0	-59.01	281.26	5.32	-53.69
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010805473	0	32	-1.0	-57.02	296.20	5.68	-51.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010805474	0	32	-1.0	-51.41	277.66	5.44	-45.97
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010805475	0	32	-1.0	-53.24	309.33	6.10	-47.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010805476	0	32	-1.0	-58.54	303.26	5.80	-52.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010805477	0	29	-1.0	-57.00	280.02	5.25	-51.75
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300010805478	0	38	-1.0	-65.75	333.81	3.76	-61.99
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010805479	0	28	-1.0	-52.21	284.53	3.77	-48.44
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805480	0	33	-1.0	-62.41	294.00	4.10	-58.31
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010805481	0	38	-1.0	-73.97	329.33	7.27	-66.70
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805482	0	38	-1.0	-65.75	332.29	6.44	-59.31
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300010805483	0	39	-1.0	-50.32	335.07	5.89	-44.43
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010805484	0	40	-1.0	-74.74	333.10	5.28	-69.46
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805485	0	30	-1.0	-70.30	282.13	5.07	-65.23
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010805486	0	43	-1.0	-63.40	360.81	4.14	-59.26
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300010805487	0	37	-1.0	-56.78	331.17	5.80	-50.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010805488	0	34	-1.0	-55.20	304.33	5.98	-49.22
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010805489	0	43	-1.0	-42.80	367.50	6.78	-36.02
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805490	0	32	-1.0	-53.79	289.16	2.81	-50.98
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805491	0	40	-1.0	-54.13	340.85	4.85	-49.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010805492	0	31	-1.0	-52.96	284.65	3.55	-49.41
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805493	0	39	-1.0	-69.43	322.66	5.20	-64.23
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010805494	0	39	-1.0	-69.12	332.30	4.48	-64.64
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010805495	0	41	-1.0	-61.28	331.53	5.23	-56.05
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010805496	0	31	-1.0	-54.03	288.10	3.91	-50.12
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010805497	0	35	-1.0	-61.48	308.83	3.74	-57.74
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805498	0	38	-1.0	-60.13	328.31	6.65	-53.48
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300010805499	0	37	-1.0	-61.77	314.30	3.60	-58.17
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805500	0	35	-1.0	-54.31	300.73	5.51	-48.80
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300010805501	0	41	-1.0	-61.78	334.48	7.25	-54.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805502	0	37	-1.0	-44.34	302.99	6.13	-38.21
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)O1	REAL300010805503	0	35	-1.0	-63.12	311.24	4.21	-58.91
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805504	0	30	-1.0	-47.78	272.77	2.12	-45.66
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805505	0	31	-1.0	-47.56	281.23	2.52	-45.04
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300010805506	0	35	-1.0	-55.99	302.34	6.33	-49.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010805507	0	37	-1.0	-67.22	317.02	3.13	-64.09
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300010805508	0	36	-1.0	-47.25	314.27	4.20	-43.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010805509	0	29	-1.0	-45.48	275.74	4.75	-40.73
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805510	0	40	-1.0	-57.70	337.74	6.83	-50.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010805511	0	32	-1.0	-43.42	299.35	5.50	-37.92
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010805512	0	34	-1.0	-49.84	295.04	0.34	-49.50
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805513	0	32	-1.0	-56.41	280.09	5.88	-50.53
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805514	0	40	-1.0	-52.25	332.60	4.57	-47.68
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300010805515	0	37	-1.0	-50.22	317.04	1.75	-48.47
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010805516	0	39	-1.0	-57.61	307.78	5.68	-51.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010805517	0	37	-1.0	-50.66	322.11	3.72	-46.94
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805518	0	38	-1.0	-64.75	333.57	6.43	-58.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010805519	0	40	-1.0	-61.39	332.92	4.81	-56.58
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805520	0	38	-1.0	-71.54	335.58	6.20	-65.34
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300010805521	0	35	-1.0	-44.30	310.68	3.79	-40.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010805522	0	40	-1.0	-53.78	336.73	8.28	-45.50
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805523	0	39	-1.0	-62.14	341.14	5.91	-56.23
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805524	0	42	-1.0	-62.53	362.10	6.06	-56.47
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010805525	0	39	-1.0	-60.44	315.06	4.99	-55.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010805526	0	33	-1.0	-47.70	290.94	4.53	-43.17
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010805527	0	32	-1.0	-66.05	287.90	6.12	-59.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010805528	0	31	-1.0	-72.89	298.44	6.83	-66.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805529	0	34	-1.0	-77.12	281.21	6.69	-70.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010805530	0	31	-1.0	-40.19	288.85	5.14	-35.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010805531	0	26	-1.0	-61.79	268.77	4.50	-57.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010805532	0	33	-1.0	-57.01	288.95	5.01	-52.00
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010805533	0	37	-1.0	-60.75	302.12	6.20	-54.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010805534	0	31	-1.0	-47.51	288.46	3.58	-43.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010805535	0	37	-1.0	-48.08	319.04	3.44	-44.64
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010805536	0	34	-1.0	-67.11	287.93	4.74	-62.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010805537	0	28	-1.0	-43.88	278.89	3.26	-40.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010805538	0	31	-1.0	-40.30	283.87	4.80	-35.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010805539	0	31	-1.0	-55.23	301.83	5.81	-49.42
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805540	0	38	-1.0	-67.12	334.81	3.50	-63.62
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010805541	0	34	-1.0	-76.33	309.95	5.27	-71.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010805542	0	31	-1.0	-46.24	279.55	5.47	-40.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010805543	0	31	-1.0	-40.94	287.23	4.89	-36.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010805544	0	36	-1.0	-58.99	326.21	5.68	-53.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010805545	0	31	-1.0	-54.10	291.23	6.42	-47.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010805546	0	43	-1.0	-59.24	366.55	8.27	-50.97
CC1(C)C2CCC1(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)C2	REAL300010805547	0	44	-1.0	-75.80	332.66	7.18	-68.62
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805548	0	37	-1.0	-49.23	329.18	0.84	-48.39
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805549	0	37	-1.0	-64.77	315.66	5.43	-59.34
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805550	0	42	-1.0	-59.27	344.62	3.71	-55.56
COC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010805551	0	38	-1.0	-63.39	333.10	5.77	-57.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010805552	0	39	-1.0	-47.02	339.07	5.66	-41.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805553	0	51	-1.0	-46.52	387.64	7.14	-39.38
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805554	0	35	-1.0	-62.11	321.90	5.55	-56.56
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805555	0	37	-1.0	-66.01	328.85	1.70	-64.31
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010805556	0	35	-1.0	-69.30	322.53	2.22	-67.08
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1F	REAL300010805557	0	32	-1.0	-59.67	285.76	5.33	-54.34
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805558	0	36	-1.0	-62.56	320.71	5.68	-56.88
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805559	0	41	-1.0	-51.66	343.21	5.70	-45.96
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2F)N=C1	REAL300010805560	0	39	-1.0	-59.43	342.04	6.71	-52.72
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805561	0	36	-1.0	-49.04	326.35	4.44	-44.60
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805562	0	36	-1.0	-65.77	320.86	-0.43	-66.20
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805563	0	32	-1.0	-60.59	285.73	5.34	-55.25
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805564	0	34	-1.0	-51.97	306.57	5.70	-46.27
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010805565	0	35	-1.0	-46.68	299.32	5.24	-41.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010805566	0	26	-1.0	-54.68	278.25	4.69	-49.99
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010805567	0	41	-1.0	-63.04	351.09	6.67	-56.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010805568	0	29	-1.0	-61.07	280.32	5.26	-55.81
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010805569	0	35	-1.0	-56.95	311.88	6.20	-50.75
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010805570	0	35	-1.0	-63.78	328.13	5.77	-58.01
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300010805571	0	37	-1.0	-47.72	319.00	3.89	-43.83
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805572	0	36	-1.0	-64.79	325.67	5.42	-59.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010805573	0	32	-1.0	-60.69	307.37	6.20	-54.49
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300010805574	0	33	-1.0	-52.95	292.35	1.05	-51.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010805575	0	38	-1.0	-61.97	336.88	7.84	-54.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010805576	0	31	-1.0	-47.51	288.46	3.58	-43.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010805577	0	31	-1.0	-57.08	295.42	5.56	-51.52
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805578	0	35	-1.0	-72.23	310.15	6.27	-65.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010805579	0	32	-1.0	-64.88	294.25	5.99	-58.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010805580	0	41	-1.0	-70.14	354.03	3.20	-66.94
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CN=C2S1	REAL300010805581	0	43	-1.0	-47.26	377.07	5.76	-41.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010805582	0	36	-1.0	-61.01	324.77	5.55	-55.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010805583	0	29	-1.0	-58.85	285.83	5.42	-53.43
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805584	0	37	-1.0	-62.22	331.08	4.48	-57.74
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CN=C21	REAL300010805585	0	37	-1.0	-59.53	326.70	2.18	-57.35
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010805586	0	38	-1.0	-59.56	338.62	6.28	-53.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010805587	0	37	-1.0	-57.17	314.34	4.96	-52.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010805588	0	32	-1.0	-48.17	308.66	6.14	-42.03
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010805589	0	35	-1.0	-63.15	319.24	7.76	-55.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010805590	0	32	-1.0	-63.14	304.55	6.31	-56.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010805591	0	35	-1.0	-65.94	306.45	7.60	-58.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010805592	0	35	-1.0	-52.08	307.11	6.74	-45.34
COC1=CC(Br)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805593	0	33	-1.0	-57.15	312.66	4.75	-52.40
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010805594	0	43	-1.0	-52.60	366.10	6.40	-46.20
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805595	0	35	-1.0	-63.11	322.52	2.22	-60.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805596	0	42	-1.0	-63.66	361.84	6.53	-57.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010805597	0	40	-1.0	-66.00	357.02	1.88	-64.12
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805598	0	30	-1.0	-60.33	286.74	5.34	-54.99
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300010805599	0	40	-1.0	-59.76	332.05	5.32	-54.44
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805600	0	34	-1.0	-55.49	306.20	6.00	-49.49
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805601	0	32	-1.0	-76.36	291.43	5.08	-71.28
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805602	0	35	-1.0	-53.91	313.24	6.28	-47.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805603	0	41	-1.0	-50.00	318.84	4.11	-45.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805604	0	35	-1.0	-64.93	318.14	2.20	-62.73
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010805605	0	45	-1.0	-54.82	372.23	1.81	-53.01
CCOC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805606	0	43	-1.0	-47.64	347.56	5.02	-42.62
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805607	0	37	-1.0	-58.53	314.40	5.77	-52.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010805608	0	44	-1.0	-50.03	374.55	3.28	-46.75
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805609	0	39	-1.0	-63.99	331.94	4.69	-59.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010805610	0	32	-1.0	-48.33	298.79	5.48	-42.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010805611	0	30	-1.0	-79.16	274.13	5.35	-73.81
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805612	0	38	-1.0	-72.01	325.57	6.49	-65.52
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010805613	0	29	-1.0	-59.04	270.92	4.87	-54.17
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805614	0	48	-1.0	-53.30	378.58	8.30	-45.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010805615	0	32	-1.0	-62.74	307.78	6.43	-56.31
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805616	0	36	-1.0	-64.90	329.76	4.18	-60.72
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010805617	0	37	-1.0	-51.52	309.44	4.76	-46.76
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805618	0	33	-1.0	-58.03	310.01	4.66	-53.37
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805619	0	41	-1.0	-66.72	335.52	3.48	-63.24
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CS1	REAL300010805620	0	32	-1.0	-65.34	304.73	4.38	-60.96
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805621	0	38	-1.0	-71.15	342.39	7.17	-63.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010805622	0	40	-1.0	-59.09	362.42	8.43	-50.66
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805623	0	38	-1.0	-63.46	312.63	5.86	-57.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010805624	0	31	-1.0	-40.03	302.13	5.44	-34.59
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805625	0	33	-1.0	-48.95	308.58	4.76	-44.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805626	0	41	-1.0	-52.14	322.28	4.42	-47.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010805627	0	31	-1.0	-41.88	280.79	4.83	-37.05
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300010805628	0	43	-1.0	-57.61	365.40	8.51	-49.10
CN(CCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010805629	0	43	-1.0	-46.82	376.92	3.15	-43.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010805630	0	32	-1.0	-54.31	284.31	1.66	-52.65
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805631	0	37	-1.0	-48.34	315.37	4.58	-43.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010805632	0	29	-1.0	-55.72	283.07	6.09	-49.63
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805633	0	40	-1.0	-47.77	325.70	4.09	-43.68
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010805634	0	39	-1.0	-58.42	328.88	5.87	-52.55
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300010805635	0	38	-1.0	-68.84	355.13	5.65	-63.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010805636	0	29	-1.0	-45.15	283.32	4.44	-40.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010805637	0	42	-1.0	-56.77	373.66	6.33	-50.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010805638	0	38	-1.0	-64.99	335.73	6.68	-58.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010805639	0	35	-1.0	-59.11	321.72	5.70	-53.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010805640	0	35	-1.0	-63.55	338.45	6.22	-57.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010805641	0	32	-1.0	-48.09	291.96	2.42	-45.67
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2O1	REAL300010805642	0	34	-1.0	-53.95	296.20	1.84	-52.11
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805643	0	41	-1.0	-41.90	297.67	6.84	-35.06
CC1=CC(Br)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805645	0	29	-1.0	-47.68	283.90	4.70	-42.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010805646	0	34	-1.0	-46.65	316.75	5.04	-41.61
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300010805647	0	28	-1.0	-57.16	286.00	2.92	-54.24
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805648	0	34	-1.0	-55.54	298.26	5.65	-49.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010805649	0	33	-1.0	-56.74	310.22	3.56	-53.18
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010805650	0	34	-1.0	-53.20	297.42	6.10	-47.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010805651	0	37	-1.0	-63.44	317.80	6.12	-57.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010805652	0	37	-1.0	-63.69	330.48	7.00	-56.69
CC1=NN2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010805653	0	34	-1.0	-48.73	316.38	4.20	-44.53
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300010805654	0	47	-1.0	-43.16	387.99	4.82	-38.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010805655	0	29	-1.0	-41.66	277.34	4.60	-37.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010805656	0	32	-1.0	-66.61	291.36	5.61	-61.00
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC[C@@H]4C(=O)[O-])C=CC1=C23	REAL300010805657	0	40	-1.0	-52.88	335.23	5.90	-46.98
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805658	0	33	-1.0	-65.26	306.93	5.96	-59.30
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010805659	0	34	-1.0	-39.69	305.64	5.49	-34.20
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805660	0	35	-1.0	-53.35	302.91	5.84	-47.51
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300010805661	0	44	-1.0	-59.05	376.15	1.74	-57.31
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805662	1	44	-1.0	-51.33	369.23	1.52	-49.81
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805663	0	43	-1.0	-60.57	379.35	3.14	-57.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010805664	0	43	-1.0	-58.77	363.32	5.88	-52.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010805665	0	32	-1.0	-74.47	287.20	4.07	-70.40
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805666	0	32	-1.0	-62.01	288.62	5.56	-56.45
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805667	0	32	-1.0	-62.79	285.97	5.47	-57.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010805668	0	32	-1.0	-60.95	292.48	5.65	-55.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805669	0	40	-1.0	-60.79	357.85	2.35	-58.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010805670	0	28	-1.0	-43.87	264.91	3.43	-40.44
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010805671	0	40	-1.0	-59.35	338.26	5.21	-54.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010805672	0	32	-1.0	-59.29	314.30	6.61	-52.68
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805673	0	37	-1.0	-79.25	329.53	3.27	-75.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010805674	0	29	-1.0	-41.97	279.30	5.50	-36.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010805675	0	28	-1.0	-43.10	271.19	2.99	-40.11
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805676	0	34	-1.0	-45.70	303.41	2.99	-42.71
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(Cl)S1	REAL300010805677	0	32	-1.0	-61.82	319.50	1.56	-60.26
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805678	0	48	-1.0	-54.28	407.87	5.16	-49.12
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010805679	0	37	-1.0	-61.09	311.05	5.33	-55.76
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805680	0	39	-1.0	-59.21	324.55	5.84	-53.37
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805681	0	43	-1.0	-55.90	388.38	1.82	-54.08
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805682	0	38	-1.0	-57.74	341.20	3.91	-53.83
O=C([O-])[C@H]1CCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010805683	0	40	-1.0	-66.84	315.06	10.21	-56.63
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010805684	0	32	-1.0	-48.07	281.18	5.12	-42.95
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010805685	0	34	-1.0	-55.47	314.21	5.70	-49.77
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010805686	0	40	-1.0	-47.72	357.57	3.06	-44.66
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300010805687	0	42	-1.0	-61.12	355.77	7.32	-53.80
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805688	0	33	-1.0	-61.13	315.87	6.30	-54.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010805689	0	38	-1.0	-72.48	322.53	8.50	-63.98
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010805690	0	37	-1.0	-73.48	304.71	6.58	-66.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010805691	0	35	-1.0	-52.47	292.32	5.78	-46.69
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010805692	0	42	-1.0	-64.43	342.49	5.23	-59.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010805693	0	41	-1.0	-63.70	329.53	1.67	-62.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010805694	0	35	-1.0	-44.53	321.29	2.24	-42.29
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805695	0	38	-1.0	-46.55	335.65	5.81	-40.74
CCC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010805696	0	38	-1.0	-51.76	331.78	4.52	-47.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010805697	0	46	-1.0	-65.69	371.34	6.64	-59.05
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805698	0	42	-1.0	-53.17	363.82	5.72	-47.45
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300010805699	0	30	-1.0	-41.57	279.41	4.80	-36.77
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805700	0	33	-1.0	-57.94	308.21	5.16	-52.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010805701	0	34	-1.0	-70.61	304.12	4.88	-65.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010805702	0	49	-1.0	-73.84	377.33	6.50	-67.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010805703	0	43	-1.0	-49.77	346.20	4.52	-45.25
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010805704	0	40	-1.0	-62.15	356.20	5.69	-56.46
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805705	0	35	-1.0	-46.16	301.72	1.77	-44.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010805706	0	31	-1.0	-48.20	288.18	3.38	-44.82
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC=N1	REAL300010805707	0	31	-1.0	-71.67	293.50	3.20	-68.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805708	0	35	-1.0	-46.94	313.76	4.88	-42.06
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806001	0	39	-1.0	-57.81	326.49	3.66	-54.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010806002	0	35	-1.0	-61.66	308.67	6.39	-55.27
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010806003	0	35	-1.0	-53.59	303.72	5.77	-47.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010806004	0	35	-1.0	-51.07	312.07	6.15	-44.92
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806005	0	33	-1.0	-57.85	308.22	5.17	-52.68
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)NCCC2	REAL300010806006	0	44	-1.0	-71.84	357.26	3.58	-68.26
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])S2)C1	REAL300010806007	0	40	-1.0	-47.93	343.41	4.66	-43.27
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010806008	0	36	-1.0	-62.04	333.40	7.21	-54.83
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCOC1	REAL300010806009	0	40	-1.0	-59.57	320.28	2.79	-56.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010806010	0	32	-1.0	-48.25	299.86	5.57	-42.68
NC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1Br	REAL300010806011	0	33	-1.0	-59.12	309.73	2.03	-57.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010806012	0	32	-1.0	-48.38	296.62	5.45	-42.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010806013	0	29	-1.0	-44.20	290.63	5.28	-38.92
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806014	0	36	-1.0	-65.22	308.43	1.60	-63.62
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806015	0	54	-1.0	-57.85	435.63	9.92	-47.93
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806016	0	44	-1.0	-62.77	365.17	7.33	-55.44
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806017	0	39	-1.0	-63.53	345.37	6.81	-56.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010806018	0	29	-1.0	-57.15	284.43	5.35	-51.80
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010806019	0	35	-1.0	-61.49	316.74	5.37	-56.12
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010806020	0	43	-1.0	-60.74	365.65	7.74	-53.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010806021	0	43	-1.0	-62.64	374.90	8.03	-54.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010806022	0	28	-1.0	-54.26	265.17	3.47	-50.79
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2)=N1	REAL300010806023	0	41	-1.0	-62.64	343.50	4.06	-58.58
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010806024	0	39	-1.0	-49.69	322.80	5.46	-44.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010806025	0	41	-1.0	-50.71	336.68	5.59	-45.12
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])N(C)N=C1	REAL300010806026	0	35	-1.0	-63.36	302.22	3.78	-59.58
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010806027	0	37	-1.0	-58.81	338.42	3.53	-55.28
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010806028	0	41	-1.0	-55.69	340.48	6.74	-48.95
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010806029	0	40	-1.0	-65.50	342.15	3.76	-61.74
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1F	REAL300010806030	0	35	-1.0	-45.57	314.95	4.81	-40.76
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C(Cl)C=C21	REAL300010806031	0	40	-1.0	-56.45	342.96	5.65	-50.80
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806032	0	42	-1.0	-49.06	342.65	5.81	-43.25
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCC1	REAL300010806033	0	42	-1.0	-50.98	326.94	4.31	-46.67
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300010806034	0	45	-1.0	-51.12	344.70	5.25	-45.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010806035	0	32	-1.0	-57.10	295.06	4.51	-52.59
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010806036	0	48	-1.0	-60.61	388.89	7.73	-52.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010806037	0	32	-1.0	-72.16	305.21	4.45	-67.71
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806038	0	33	-1.0	-48.64	287.77	4.18	-44.46
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010806039	0	37	-1.0	-60.52	314.16	6.49	-54.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010806040	0	42	-1.0	-56.94	356.97	7.16	-49.78
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300010806041	0	35	-1.0	-46.20	310.52	3.56	-42.64
CCC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300010806042	0	42	-1.0	-52.65	348.04	5.83	-46.82
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806043	0	35	-1.0	-72.13	325.04	6.82	-65.31
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C1	REAL300010806044	0	40	-1.0	-51.55	337.61	4.72	-46.83
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806045	0	32	-1.0	-52.33	294.68	3.56	-48.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010806046	0	40	-1.0	-59.65	358.04	8.78	-50.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806047	0	32	-1.0	-47.33	291.59	5.33	-42.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010806048	0	39	-1.0	-57.21	315.46	7.34	-49.87
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010806049	0	49	-1.0	-51.72	405.66	8.95	-42.77
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806050	0	35	-1.0	-63.66	318.89	6.77	-56.89
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806051	0	36	-1.0	-65.34	325.56	5.48	-59.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010806052	0	35	-1.0	-65.11	312.91	6.38	-58.73
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1F	REAL300010806053	0	32	-1.0	-65.59	285.63	5.34	-60.25
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010806054	0	28	-1.0	-42.28	272.22	2.73	-39.55
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806055	0	38	-1.0	-57.19	321.80	3.76	-53.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010806056	0	35	-1.0	-53.53	311.56	2.64	-50.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010806057	0	36	-1.0	-58.14	328.09	3.46	-54.68
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC=C1	REAL300010806058	0	32	-1.0	-54.82	277.68	3.68	-51.14
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300010806059	0	42	-1.0	-62.95	335.73	6.13	-56.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010806060	0	35	-1.0	-55.15	326.54	6.87	-48.28
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806061	0	37	-1.0	-52.84	320.04	5.51	-47.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300010806062	0	31	-1.0	-54.13	278.00	3.37	-50.76
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806063	0	32	-1.0	-46.51	300.72	5.74	-40.77
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010806064	0	38	-1.0	-65.59	307.14	8.09	-57.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010806065	0	36	-1.0	-46.85	315.03	4.04	-42.81
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2NC1=O	REAL300010806066	0	38	-1.0	-48.19	324.01	3.91	-44.28
CN1N=NC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010806067	0	34	-1.0	-58.34	296.36	2.62	-55.72
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010806068	0	38	-1.0	-67.15	339.86	6.06	-61.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010806069	0	29	-1.0	-44.39	262.31	1.45	-42.94
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010806070	0	34	-1.0	-57.48	305.94	5.95	-51.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010806071	0	35	-1.0	-52.81	300.04	5.42	-47.39
CN1CCN(CCCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010806072	1	45	-1.0	-62.26	353.83	1.89	-60.37
CN1N=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Br	REAL300010806073	0	29	-1.0	-49.31	274.91	2.21	-47.10
CN1N=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1I	REAL300010806074	0	29	-1.0	-49.36	278.55	2.58	-46.78
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806075	0	33	-1.0	-39.70	282.55	5.20	-34.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010806076	0	38	-1.0	-46.54	321.85	2.71	-43.83
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300010806077	0	41	-1.0	-49.57	340.52	4.89	-44.68
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(OC)C=C1F	REAL300010806078	0	39	-1.0	-60.08	340.40	5.18	-54.90
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806079	0	39	-1.0	-75.88	333.03	5.47	-70.41
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806080	0	33	-1.0	-57.55	287.72	4.93	-52.62
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010806081	0	45	-1.0	-61.03	367.39	6.93	-54.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010806082	0	41	-1.0	-56.64	335.65	6.94	-49.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010806083	0	32	-1.0	-59.74	300.74	6.05	-53.69
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010806084	0	48	-1.0	-62.50	380.63	9.57	-52.93
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806085	0	34	-1.0	-51.33	307.50	4.10	-47.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010806086	0	26	-1.0	-46.88	245.79	1.90	-44.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010806087	0	37	-1.0	-48.97	321.62	5.09	-43.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010806088	0	28	-1.0	-43.99	274.32	3.15	-40.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010806089	0	28	-1.0	-42.18	267.62	2.66	-39.52
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806090	0	32	-1.0	-58.72	300.37	2.46	-56.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010806091	0	34	-1.0	-64.39	312.94	5.54	-58.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010806092	0	31	-1.0	-46.00	292.28	4.04	-41.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010806093	0	39	-1.0	-50.07	345.12	5.07	-45.00
CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1(Cl)Cl	REAL300010806094	0	32	-1.0	-60.06	298.72	5.65	-54.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010806095	0	28	-1.0	-62.33	285.26	3.19	-59.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010806096	0	31	-1.0	-52.35	306.09	4.16	-48.19
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010806097	0	31	-1.0	-46.96	282.67	4.91	-42.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010806098	0	37	-1.0	-64.64	308.42	4.10	-60.54
CCOC(=O)C1(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCC1	REAL300010806099	0	38	-1.0	-71.13	312.86	5.58	-65.55
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300010806100	0	40	-1.0	-54.99	338.05	0.85	-54.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010806101	0	30	-1.0	-48.66	294.36	3.18	-45.48
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806102	0	38	-1.0	-64.75	333.57	6.43	-58.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010806103	0	32	-1.0	-53.63	302.39	5.92	-47.71
CN1N=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C(F)(F)F	REAL300010806104	0	32	-1.0	-57.89	279.69	2.91	-54.98
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806105	0	39	-1.0	-57.05	315.43	4.69	-52.36
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010806106	0	26	-1.0	-43.49	254.49	3.46	-40.03
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010806107	0	41	-1.0	-51.55	324.07	4.46	-47.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010806108	0	39	-1.0	-52.78	320.91	4.40	-48.38
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806109	0	32	-1.0	-40.79	276.79	2.95	-37.84
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806110	0	47	-1.0	-54.86	394.66	6.06	-48.80
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Br)=N1	REAL300010806111	0	29	-1.0	-47.75	276.76	2.28	-45.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010806112	0	31	-1.0	-46.84	289.51	3.56	-43.28
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806113	0	36	-1.0	-65.07	315.35	4.97	-60.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010806114	0	43	-1.0	-55.46	358.46	5.38	-50.08
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806115	0	39	-1.0	-59.51	332.54	7.77	-51.74
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806116	0	32	-1.0	-58.18	285.27	2.02	-56.16
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806117	0	32	-1.0	-46.46	300.72	5.74	-40.72
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010806118	0	34	-1.0	-67.31	304.72	5.25	-62.06
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806119	0	38	-1.0	-62.06	321.36	2.43	-59.63
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010806120	0	51	-1.0	-58.79	410.40	8.51	-50.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010806121	0	32	-1.0	-56.07	296.64	5.63	-50.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010806122	0	40	-1.0	-53.08	338.04	4.68	-48.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010806123	0	33	-1.0	-47.51	304.50	6.02	-41.49
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300010806124	0	51	-1.0	-59.24	401.47	8.39	-50.85
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300010806125	0	45	-1.0	-60.26	371.99	7.19	-53.07
N#CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806126	0	36	-1.0	-64.82	319.08	6.95	-57.87
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806127	0	35	-1.0	-45.75	291.53	5.97	-39.78
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806128	0	43	-1.0	-73.98	350.36	4.19	-69.79
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010806129	0	32	-1.0	-64.68	312.36	6.54	-58.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010806130	0	32	-1.0	-65.68	303.24	6.13	-59.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010806131	0	39	-1.0	-68.21	337.13	6.97	-61.24
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806132	0	35	-1.0	-62.21	316.43	6.83	-55.38
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806133	0	31	-1.0	-61.42	281.24	3.58	-57.84
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1F	REAL300010806134	0	33	-1.0	-61.60	305.94	4.90	-56.70
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806135	0	39	-1.0	-46.12	327.59	6.54	-39.58
CCOC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])N(C)N=C1	REAL300010806136	0	38	-1.0	-63.66	324.07	4.71	-58.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010806137	0	33	-1.0	-50.05	298.49	5.81	-44.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010806138	0	34	-1.0	-55.92	293.00	1.18	-54.74
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300010806139	0	33	-1.0	-58.24	289.36	0.42	-57.82
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010806140	0	41	-1.0	-64.00	363.15	6.32	-57.68
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806141	0	42	-1.0	-54.72	349.87	4.62	-50.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010806142	0	38	-1.0	-64.73	319.15	5.55	-59.18
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010806143	0	29	-1.0	-63.62	275.11	4.50	-59.12
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806144	0	34	-1.0	-65.12	308.44	3.47	-61.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010806145	0	35	-1.0	-45.82	304.68	5.80	-40.02
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806146	0	45	-1.0	-46.57	360.14	6.65	-39.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010806147	0	34	-1.0	-70.17	287.87	4.68	-65.49
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010806148	0	49	-1.0	-67.66	384.40	7.14	-60.52
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806149	0	36	-1.0	-54.98	315.23	4.29	-50.69
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010806150	0	43	-1.0	-61.02	353.00	4.76	-56.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010806151	0	44	-1.0	-75.63	363.26	6.81	-68.82
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010806152	0	43	-1.0	-60.25	353.41	6.10	-54.15
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300010806154	0	44	-1.0	-57.32	384.17	8.85	-48.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010806155	0	39	-1.0	-58.76	321.68	5.24	-53.52
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010806156	0	41	-1.0	-51.90	340.09	6.72	-45.18
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806157	0	42	-1.0	-67.83	357.24	6.07	-61.76
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806158	0	39	-1.0	-57.66	326.04	5.10	-52.56
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=NN2C1	REAL300010806159	0	40	-1.0	-55.42	331.09	2.29	-53.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010806160	0	35	-1.0	-59.47	324.28	5.59	-53.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010806161	0	35	-1.0	-59.22	308.18	1.91	-57.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010806162	0	26	-1.0	-46.42	247.05	2.76	-43.66
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010806163	0	33	-1.0	-46.05	298.31	3.70	-42.35
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010806164	0	33	-1.0	-59.77	294.70	4.01	-55.76
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010806165	0	54	-1.0	-58.79	431.90	9.29	-49.50
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010806166	0	45	-1.0	-62.00	353.25	6.12	-55.88
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806167	0	39	-1.0	-64.35	324.34	5.98	-58.37
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010806168	0	52	-1.0	-62.74	422.87	7.15	-55.59
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300010806169	0	37	-1.0	-54.43	312.36	4.88	-49.55
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010806170	0	37	-1.0	-50.99	321.80	3.77	-47.22
N#CC1(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300010806171	0	37	-1.0	-62.55	325.56	6.91	-55.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806172	0	33	-1.0	-61.50	293.91	5.26	-56.24
CC1=C(Br)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)S1	REAL300010806173	0	32	-1.0	-59.71	299.61	5.97	-53.74
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010806174	0	32	-1.0	-45.81	292.56	6.04	-39.77
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=N1	REAL300010806175	0	34	-1.0	-56.52	308.38	3.53	-52.99
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Br	REAL300010806176	0	35	-1.0	-47.60	314.20	5.13	-42.47
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010806177	0	46	-1.0	-80.45	367.40	6.78	-73.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010806178	0	35	-1.0	-63.74	309.71	5.18	-58.56
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010806179	0	43	-1.0	-73.65	352.61	5.80	-67.85
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806180	0	29	-1.0	-49.87	276.26	3.14	-46.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010806181	0	31	-1.0	-54.18	291.32	3.85	-50.33
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806182	0	34	-1.0	-59.58	286.19	3.50	-56.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010806183	0	33	-1.0	-63.44	306.55	5.45	-57.99
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010806184	0	32	-1.0	-72.87	300.64	4.34	-68.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010806185	0	32	-1.0	-49.30	288.02	5.50	-43.80
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300010806186	0	38	-1.0	-57.87	304.10	6.96	-50.91
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300010806187	0	37	-1.0	-60.22	308.08	4.89	-55.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010806188	0	38	-1.0	-64.78	325.77	1.90	-62.88
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010806189	0	30	-1.0	-54.04	297.95	5.58	-48.46
COC1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300010806190	0	37	-1.0	-64.78	316.92	4.92	-59.86
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806191	0	32	-1.0	-44.64	311.70	3.57	-41.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010806192	0	26	-1.0	-43.73	273.22	4.38	-39.35
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300010806193	0	42	-1.0	-63.06	337.30	5.21	-57.85
N#CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010806194	0	33	-1.0	-66.84	308.30	6.62	-60.22
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010806196	0	33	-1.0	-61.17	294.54	4.57	-56.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010806197	0	33	-1.0	-67.65	306.65	5.46	-62.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010806198	0	32	-1.0	-53.16	279.43	3.30	-49.86
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C21	REAL300010806199	0	34	-1.0	-55.29	300.04	2.69	-52.60
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010806201	0	35	-1.0	-59.09	304.89	6.13	-52.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010806202	0	35	-1.0	-56.30	324.68	6.01	-50.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010806203	0	32	-1.0	-50.78	285.45	4.46	-46.32
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300010806204	0	39	-1.0	-62.67	320.45	4.74	-57.93
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806205	0	47	-1.0	-63.01	363.88	8.00	-55.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010806206	0	35	-1.0	-56.75	328.64	6.55	-50.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010806207	0	39	-1.0	-55.27	327.05	4.74	-50.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010806208	0	33	-1.0	-63.09	291.83	5.80	-57.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010806209	0	40	-1.0	-65.02	350.27	7.46	-57.56
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806210	0	42	-1.0	-66.93	345.10	3.39	-63.54
COC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010806211	0	38	-1.0	-79.80	322.85	5.90	-73.90
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806212	0	35	-1.0	-57.64	309.26	3.27	-54.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010806213	0	33	-1.0	-43.41	309.06	5.49	-37.92
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300010806214	0	41	-1.0	-62.22	358.12	7.60	-54.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010806215	0	38	-1.0	-54.08	341.59	6.74	-47.34
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806216	0	38	-1.0	-56.44	299.54	4.14	-52.30
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010806217	0	38	-1.0	-54.27	317.57	3.79	-50.48
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010806218	0	34	-1.0	-56.25	308.38	4.49	-51.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010806219	0	32	-1.0	-43.95	297.99	5.24	-38.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010806220	0	29	-1.0	-64.22	278.95	5.22	-59.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010806221	0	29	-1.0	-58.23	289.17	4.80	-53.43
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806222	0	39	-1.0	-62.37	337.23	4.01	-58.36
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010806223	0	26	-1.0	-44.24	257.45	2.92	-41.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010806224	0	32	-1.0	-52.98	309.33	6.10	-46.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010806225	0	32	-1.0	-72.37	280.55	6.17	-66.20
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806226	0	40	-1.0	-64.57	337.13	6.19	-58.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010806227	0	40	-1.0	-62.26	324.02	8.07	-54.19
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010806228	0	39	-1.0	-64.16	332.81	5.85	-58.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010806229	0	35	-1.0	-58.34	318.68	5.93	-52.41
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806230	0	34	-1.0	-57.80	311.73	5.16	-52.64
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010806231	0	36	-1.0	-63.03	308.05	3.41	-59.62
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806232	0	39	-1.0	-56.46	351.53	5.76	-50.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010806233	0	29	-1.0	-58.85	285.83	5.42	-53.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010806234	0	29	-1.0	-47.99	271.69	4.31	-43.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010806235	0	32	-1.0	-49.43	284.40	5.52	-43.91
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806236	0	35	-1.0	-56.98	323.61	5.04	-51.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010806237	0	36	-1.0	-49.04	308.53	6.36	-42.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010806238	0	31	-1.0	-45.27	303.53	4.29	-40.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010806239	0	39	-1.0	-58.30	323.09	5.21	-53.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806240	0	38	-1.0	-50.55	313.82	3.98	-46.57
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806241	0	38	-1.0	-64.62	326.50	2.50	-62.12
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806242	0	32	-1.0	-59.58	303.18	0.57	-59.01
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806243	0	38	-1.0	-64.62	326.50	2.50	-62.12
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010806244	0	32	-1.0	-51.41	277.66	5.44	-45.97
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806245	0	41	-1.0	-79.57	349.36	8.47	-71.10
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806246	0	43	-1.0	-60.23	325.09	5.91	-54.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010806247	0	29	-1.0	-41.17	273.15	3.30	-37.87
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806248	0	33	-1.0	-57.82	293.90	4.63	-53.19
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010806249	0	43	-1.0	-62.57	347.27	3.46	-59.11
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806250	0	35	-1.0	-60.09	310.65	6.21	-53.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010806251	0	33	-1.0	-52.93	291.81	3.74	-49.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010806252	0	44	-1.0	-59.42	352.50	7.48	-51.94
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010806253	0	40	-1.0	-74.57	323.71	6.79	-67.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010806254	0	37	-1.0	-45.56	308.44	4.37	-41.19
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806255	0	39	-1.0	-52.61	329.49	4.85	-47.76
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806256	0	38	-1.0	-54.17	332.70	6.11	-48.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010806257	0	32	-1.0	-52.48	312.30	6.20	-46.28
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806258	0	39	-1.0	-48.51	324.58	5.48	-43.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010806259	0	42	-1.0	-52.87	339.45	5.02	-47.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010806260	0	32	-1.0	-62.54	316.11	6.77	-55.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010806261	0	40	-1.0	-58.14	343.99	7.84	-50.30
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806262	0	41	-1.0	-70.74	347.36	7.76	-62.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300010806263	0	35	-1.0	-56.56	313.01	6.73	-49.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010806264	0	34	-1.0	-53.73	308.44	5.42	-48.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010806265	0	28	-1.0	-63.25	281.02	3.08	-60.17
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010806266	0	33	-1.0	-47.76	291.95	3.71	-44.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010806267	0	35	-1.0	-49.56	328.47	5.60	-43.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010806268	0	28	-1.0	-51.91	275.07	3.32	-48.59
N#CC1(OCCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCOCC1	REAL300010806269	0	41	-1.0	-62.33	341.09	2.56	-59.77
CCN1N=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010806270	0	32	-1.0	-49.35	294.48	3.05	-46.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010806271	0	33	-1.0	-49.77	302.51	5.88	-43.89
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])=C2	REAL300010806272	0	35	-1.0	-46.90	334.25	5.29	-41.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010806273	0	29	-1.0	-59.36	287.25	5.56	-53.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010806274	0	31	-1.0	-41.42	290.60	3.27	-38.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010806275	0	34	-1.0	-70.98	310.95	5.71	-65.27
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010806276	0	34	-1.0	-70.11	304.79	5.18	-64.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010806277	0	31	-1.0	-41.42	290.60	3.27	-38.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010806278	0	32	-1.0	-52.48	312.30	6.20	-46.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010806279	0	38	-1.0	-55.86	308.10	6.76	-49.10
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806280	0	33	-1.0	-63.30	309.30	5.60	-57.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010806281	0	36	-1.0	-60.58	313.22	5.36	-55.22
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010806282	0	43	-1.0	-49.66	357.17	5.68	-43.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010806283	0	29	-1.0	-60.24	281.05	5.18	-55.06
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300010806284	0	35	-1.0	-67.01	318.15	1.17	-65.84
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010806285	0	39	-1.0	-60.50	328.51	5.79	-54.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010806286	0	35	-1.0	-49.62	326.20	1.90	-47.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010806287	0	33	-1.0	-47.46	309.07	6.12	-41.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010806288	0	33	-1.0	-45.84	309.09	6.12	-39.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010806289	0	34	-1.0	-69.35	299.26	-1.07	-70.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010806290	0	31	-1.0	-48.90	283.48	3.55	-45.35
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010806291	0	38	-1.0	-48.72	319.30	3.07	-45.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010806292	0	46	-1.0	-49.40	330.00	7.10	-42.30
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806293	0	37	-1.0	-58.36	323.50	1.05	-57.31
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC1	REAL300010806294	0	42	-1.0	-46.99	327.73	4.36	-42.63
CCOC(=O)C1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C2C=CC=CN21	REAL300010806295	0	41	-1.0	-73.11	358.45	6.42	-66.69
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010806296	0	33	-1.0	-65.35	304.98	3.87	-61.48
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2C=C1	REAL300010806297	0	38	-1.0	-61.32	335.64	6.40	-54.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010806298	0	39	-1.0	-64.30	338.94	7.69	-56.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010806299	0	38	-1.0	-67.64	309.16	2.45	-65.19
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806300	0	38	-1.0	-46.53	325.96	5.10	-41.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010806301	0	42	-1.0	-62.71	324.53	6.82	-55.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010806302	0	33	-1.0	-48.88	296.89	5.50	-43.38
COC(=O)C1CCCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806303	0	40	-1.0	-51.44	321.70	5.16	-46.28
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010806304	0	51	-1.0	-61.02	387.20	8.87	-52.15
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010806305	0	32	-1.0	-54.50	302.89	5.49	-49.01
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806306	0	40	-1.0	-60.26	331.78	6.07	-54.19
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NN1	REAL300010806307	0	35	-1.0	-50.16	314.66	2.17	-47.99
COC1=CSC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300010806308	0	34	-1.0	-65.41	311.08	2.89	-62.52
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806309	0	32	-1.0	-44.20	307.62	3.47	-40.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010806310	0	41	-1.0	-59.34	316.61	5.32	-54.02
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806311	0	40	-1.0	-45.71	326.24	6.00	-39.71
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806312	0	33	-1.0	-59.85	308.12	5.83	-54.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010806313	0	33	-1.0	-57.67	301.81	5.50	-52.17
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010806314	0	33	-1.0	-62.63	295.43	4.24	-58.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010806315	0	33	-1.0	-58.39	302.93	4.32	-54.07
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806316	0	35	-1.0	-59.28	299.39	4.55	-54.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010806317	0	32	-1.0	-70.22	289.76	5.88	-64.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010806318	0	38	-1.0	-47.99	331.48	4.65	-43.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010806319	0	26	-1.0	-41.46	274.29	4.15	-37.31
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806320	0	42	-1.0	-55.22	337.75	6.27	-48.95
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010806321	0	46	-1.0	-59.54	375.87	6.59	-52.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010806322	0	32	-1.0	-58.51	313.71	6.09	-52.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010806323	0	34	-1.0	-58.30	306.74	5.64	-52.66
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806324	0	37	-1.0	-68.19	312.37	4.33	-63.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(I)C=CS1	REAL300010806325	0	26	-1.0	-60.50	274.86	4.96	-55.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010806326	0	40	-1.0	-60.06	346.13	7.52	-52.54
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806327	0	35	-1.0	-74.87	298.24	6.42	-68.45
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806328	0	32	-1.0	-58.18	285.27	2.02	-56.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010806329	0	34	-1.0	-54.94	307.45	2.75	-52.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010806330	0	30	-1.0	-47.48	296.81	3.10	-44.38
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806331	0	31	-1.0	-47.90	275.74	3.36	-44.54
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806332	0	40	-1.0	-57.13	336.23	5.78	-51.35
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300010806333	0	39	-1.0	-62.76	328.10	5.22	-57.54
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300010806334	0	33	-1.0	-47.06	285.18	3.34	-43.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010806335	0	35	-1.0	-59.66	320.08	7.47	-52.19
CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300010806336	0	37	-1.0	-60.25	316.40	4.05	-56.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010806337	0	39	-1.0	-50.62	343.52	8.09	-42.53
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C(Cl)S1	REAL300010806338	0	32	-1.0	-68.39	315.61	5.40	-62.99
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010806339	0	35	-1.0	-57.31	316.48	6.55	-50.76
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806340	0	42	-1.0	-55.12	342.02	6.15	-48.97
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806341	0	43	-1.0	-65.72	357.80	5.00	-60.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010806342	0	35	-1.0	-51.50	307.92	6.79	-44.71
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806343	0	37	-1.0	-47.93	298.57	1.97	-45.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010806344	0	35	-1.0	-50.63	317.44	3.98	-46.65
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806345	0	43	-1.0	-55.14	358.24	5.00	-50.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010806346	0	44	-1.0	-58.74	357.18	5.37	-53.37
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806347	0	32	-1.0	-58.91	295.79	2.36	-56.55
COC1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010806348	0	35	-1.0	-56.43	304.77	2.10	-54.33
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010806349	0	38	-1.0	-45.66	316.07	4.24	-41.42
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806350	0	38	-1.0	-51.20	314.83	3.64	-47.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010806351	0	28	-1.0	-54.46	282.63	2.99	-51.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010806352	0	39	-1.0	-59.92	319.59	2.85	-57.07
COCC1=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NO1	REAL300010806353	0	35	-1.0	-70.61	311.35	2.71	-67.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010806354	0	32	-1.0	-72.16	305.21	4.45	-67.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010806355	0	27	-1.0	-59.23	270.42	2.51	-56.72
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010806356	0	33	-1.0	-54.27	301.48	2.22	-52.05
CC1=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)S1	REAL300010806357	0	35	-1.0	-58.98	296.61	5.90	-53.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010806358	0	26	-1.0	-43.73	273.22	4.38	-39.35
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806359	0	33	-1.0	-62.29	302.47	5.11	-57.18
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010806360	0	31	-1.0	-49.81	289.04	3.69	-46.12
COC1=NC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010806361	0	32	-1.0	-46.06	289.51	1.28	-44.78
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010806362	0	38	-1.0	-56.18	335.41	3.19	-52.99
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806363	0	36	-1.0	-57.60	314.79	2.10	-55.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010806364	0	33	-1.0	-57.97	320.31	6.81	-51.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010806365	0	34	-1.0	-60.53	313.12	6.55	-53.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010806366	0	28	-1.0	-48.46	271.39	3.53	-44.93
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])N=C1	REAL300010806367	0	40	-1.0	-52.18	327.13	4.90	-47.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010806368	0	37	-1.0	-62.25	307.94	5.45	-56.80
COC(=O)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010806369	0	37	-1.0	-55.16	324.25	4.06	-51.10
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806370	0	32	-1.0	-54.75	290.64	6.18	-48.57
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010806371	0	36	-1.0	-57.72	313.34	5.80	-51.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010806372	0	31	-1.0	-51.93	282.90	3.42	-48.51
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300010806373	0	38	-1.0	-55.69	315.36	3.92	-51.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010806374	0	36	-1.0	-51.91	314.08	6.38	-45.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010806375	0	31	-1.0	-57.38	284.79	3.71	-53.67
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=C1NCCC2	REAL300010806376	0	41	-1.0	-65.23	329.80	5.54	-59.69
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010806377	0	43	-1.0	-59.27	364.06	8.53	-50.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010806378	0	36	-1.0	-61.75	317.28	6.89	-54.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010806379	0	26	-1.0	-43.49	254.49	3.46	-40.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010806380	0	33	-1.0	-63.41	301.97	5.34	-58.07
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806381	0	31	-1.0	-48.04	280.34	3.44	-44.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010806382	0	34	-1.0	-67.32	294.77	5.09	-62.23
CC1=CC=C(I)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806383	0	32	-1.0	-48.31	292.37	5.78	-42.53
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806384	0	38	-1.0	-70.09	325.47	6.85	-63.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010806385	0	40	-1.0	-53.78	336.73	8.28	-45.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010806386	0	32	-1.0	-68.05	293.18	5.57	-62.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010806387	0	28	-1.0	-55.02	273.68	3.51	-51.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010806388	0	31	-1.0	-53.41	270.82	3.76	-49.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010806389	0	32	-1.0	-43.03	278.85	3.92	-39.11
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806390	0	37	-1.0	-64.98	315.62	0.50	-64.48
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010806391	0	31	-1.0	-55.81	290.87	4.23	-51.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010806392	0	28	-1.0	-46.44	283.26	3.86	-42.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010806393	0	33	-1.0	-57.11	302.32	3.64	-53.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010806394	0	33	-1.0	-45.91	304.53	6.02	-39.89
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806395	0	38	-1.0	-58.47	332.67	3.74	-54.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010806396	0	36	-1.0	-49.82	299.65	6.04	-43.78
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010806397	0	32	-1.0	-61.81	298.45	5.84	-55.97
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010806398	0	33	-1.0	-42.56	301.60	3.92	-38.64
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300010806399	0	36	-1.0	-65.14	311.11	5.05	-60.09
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010806400	0	42	-1.0	-63.34	361.37	6.30	-57.04
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C1	REAL300010806401	0	42	-1.0	-55.44	351.80	6.69	-48.75
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806402	0	35	-1.0	-48.12	318.32	2.46	-45.66
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806403	0	35	-1.0	-66.48	326.30	6.76	-59.72
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806404	0	34	-1.0	-58.28	292.24	3.86	-54.42
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806405	0	35	-1.0	-54.91	297.47	5.31	-49.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010806406	0	34	-1.0	-60.34	286.26	5.04	-55.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010806407	0	29	-1.0	-46.16	268.25	5.02	-41.14
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806408	0	35	-1.0	-51.18	291.90	3.68	-47.50
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300010806409	0	40	-1.0	-61.33	354.06	5.70	-55.63
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010806410	0	37	-1.0	-72.46	310.71	6.20	-66.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010806411	0	25	-1.0	-38.88	247.83	2.37	-36.51
NC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806412	0	31	-1.0	-45.68	288.96	2.65	-43.03
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010806413	0	31	-1.0	-58.02	286.62	4.16	-53.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010806414	0	31	-1.0	-73.23	275.17	4.28	-68.95
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C(Cl)S1	REAL300010806415	0	29	-1.0	-55.23	274.90	5.10	-50.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010806416	0	31	-1.0	-68.40	287.56	3.75	-64.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010806417	0	36	-1.0	-63.34	323.90	5.84	-57.50
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806418	0	42	-1.0	-67.53	339.39	6.58	-60.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010806419	1	34	-1.0	-47.28	298.00	3.54	-43.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)C1	REAL300010806420	0	38	-1.0	-48.50	330.25	7.21	-41.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2Cl)C1	REAL300010806421	0	31	-1.0	-50.27	278.36	3.01	-47.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300010806422	0	32	-1.0	-47.44	299.38	5.24	-42.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300010806423	0	32	-1.0	-53.63	285.85	4.98	-48.65
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010806424	0	44	-1.0	-47.90	333.14	7.01	-40.89
COC(=O)CC1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806425	0	41	-1.0	-51.64	343.56	5.05	-46.59
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806426	0	38	-1.0	-55.23	322.21	6.24	-48.99
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806427	0	41	-1.0	-47.29	352.90	6.11	-41.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300010806428	0	32	-1.0	-46.04	300.06	5.38	-40.66
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010806429	0	38	-1.0	-54.58	333.60	5.36	-49.22
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806430	0	44	-1.0	-47.62	353.45	6.87	-40.75
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806431	0	41	-1.0	-47.66	336.50	6.45	-41.21
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806432	0	44	-1.0	-47.45	354.95	7.11	-40.34
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806433	0	43	-1.0	-52.56	371.87	2.52	-50.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C1	REAL300010806434	0	36	-1.0	-50.41	314.34	1.42	-48.99
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806435	0	42	-1.0	-51.92	358.47	3.54	-48.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300010806436	0	34	-1.0	-49.62	311.56	5.55	-44.07
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300010806437	0	32	-1.0	-52.62	299.39	5.87	-46.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300010806438	0	29	-1.0	-44.84	287.56	4.22	-40.62
CCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806439	0	41	-1.0	-47.52	340.66	6.74	-40.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300010806440	0	32	-1.0	-49.93	304.64	5.49	-44.44
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300010806441	0	36	-1.0	-46.32	327.99	4.58	-41.74
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806442	0	43	-1.0	-60.79	358.57	3.37	-57.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010806443	0	32	-1.0	-45.34	291.06	4.60	-40.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300010806444	0	32	-1.0	-45.06	312.04	5.63	-39.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Cl)C1	REAL300010806445	0	32	-1.0	-53.82	283.26	4.88	-48.94
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C(=O)OC)=C1	REAL300010806446	0	44	-1.0	-51.86	388.10	5.89	-45.97
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806447	0	44	-1.0	-59.70	379.18	7.06	-52.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300010806448	0	32	-1.0	-55.71	284.29	4.83	-50.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)C1	REAL300010806449	0	31	-1.0	-45.14	288.13	3.16	-41.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)C1	REAL300010806450	0	32	-1.0	-51.35	295.27	5.04	-46.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C1	REAL300010806451	0	35	-1.0	-52.49	321.30	6.55	-45.94
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300010806452	0	35	-1.0	-46.28	318.08	5.78	-40.50
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1NC(C)=O	REAL300010806453	0	43	-1.0	-54.03	362.16	2.94	-51.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010806454	0	36	-1.0	-44.95	322.27	4.31	-40.64
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300010806455	0	47	-1.0	-47.51	352.75	7.69	-39.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300010806456	0	41	-1.0	-47.27	340.91	4.55	-42.72
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010806457	0	37	-1.0	-53.91	322.81	5.79	-48.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)S2)C1	REAL300010806458	0	29	-1.0	-44.82	292.20	4.33	-40.49
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010806459	0	38	-1.0	-45.29	331.58	6.86	-38.43
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806460	0	36	-1.0	-48.95	323.53	5.10	-43.85
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806461	0	50	-1.0	-47.23	378.67	8.28	-38.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300010806462	0	48	-1.0	-47.41	378.12	8.33	-39.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300010806463	0	35	-1.0	-45.61	315.02	5.52	-40.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300010806464	0	42	-1.0	-47.79	340.80	7.10	-40.69
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806465	0	40	-1.0	-52.54	330.14	3.72	-48.82
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300010806466	0	40	-1.0	-48.39	336.82	3.82	-44.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)C1	REAL300010806467	0	42	-1.0	-48.30	373.51	4.11	-44.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300010806468	0	39	-1.0	-49.16	321.82	6.43	-42.73
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806469	0	39	-1.0	-52.66	350.88	2.69	-49.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300010806470	0	40	-1.0	-49.14	333.55	6.98	-42.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300010806471	0	32	-1.0	-46.50	286.47	4.61	-41.89
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806472	0	42	-1.0	-55.03	344.67	3.95	-51.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010806473	0	29	-1.0	-43.10	294.56	4.53	-38.57
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806474	0	47	-1.0	-47.32	379.72	8.03	-39.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300010806475	0	38	-1.0	-53.43	311.43	6.54	-46.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300010806476	0	42	-1.0	-49.54	353.23	7.98	-41.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300010806477	0	35	-1.0	-49.85	322.07	5.87	-43.98
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806478	0	35	-1.0	-44.60	294.65	5.13	-39.47
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010806479	0	32	-1.0	-44.13	315.21	6.31	-37.82
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806480	0	47	-1.0	-47.71	366.70	7.31	-40.40
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010806481	0	35	-1.0	-47.65	313.55	5.73	-41.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C1	REAL300010806482	0	32	-1.0	-43.71	297.07	4.80	-38.91
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010806483	0	35	-1.0	-54.48	299.95	5.18	-49.30
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010806484	0	32	-1.0	-43.68	305.48	5.15	-38.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C1	REAL300010806485	0	35	-1.0	-46.37	318.80	5.54	-40.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010806486	0	32	-1.0	-43.24	307.05	5.21	-38.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010806487	0	32	-1.0	-43.52	292.74	4.67	-38.85
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300010806488	0	33	-1.0	-59.27	290.91	3.38	-55.89
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300010806489	0	35	-1.0	-46.36	305.31	5.30	-41.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300010806490	0	35	-1.0	-44.12	322.41	5.67	-38.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300010806491	0	37	-1.0	-55.83	311.76	5.52	-50.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C1	REAL300010806492	0	35	-1.0	-52.60	310.97	6.09	-46.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300010806493	0	43	-1.0	-51.07	382.74	7.94	-43.13
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)C1	REAL300010806494	0	32	-1.0	-47.01	296.25	5.04	-41.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2Br)C1	REAL300010806495	0	32	-1.0	-49.99	292.30	5.06	-44.93
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806496	0	38	-1.0	-50.66	328.92	5.11	-45.55
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806497	0	35	-1.0	-48.25	299.90	5.15	-43.10
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010806498	0	36	-1.0	-46.76	313.80	3.99	-42.77
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010806499	0	35	-1.0	-48.29	304.81	5.32	-42.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010806500	0	32	-1.0	-46.11	291.20	4.88	-41.23
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010806501	0	32	-1.0	-43.86	305.09	5.28	-38.58
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300010806502	0	47	-1.0	-48.78	395.42	6.68	-42.10
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010806503	0	39	-1.0	-51.28	348.25	4.14	-47.14
CN(C1CCCCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806504	0	43	-1.0	-47.41	334.35	5.04	-42.37
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010806505	0	48	-1.0	-49.48	381.25	7.54	-41.94
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C#N)=C2)C1	REAL300010806506	0	36	-1.0	-53.91	323.67	5.69	-48.22
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010806507	0	35	-1.0	-48.52	318.12	6.41	-42.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300010806508	0	35	-1.0	-51.97	334.30	6.31	-45.66
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010806509	0	42	-1.0	-50.14	341.61	5.99	-44.15
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300010806510	0	39	-1.0	-48.00	328.67	2.07	-45.93
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300010806511	0	40	-1.0	-51.61	339.90	1.99	-49.62
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806512	0	37	-1.0	-44.37	314.52	5.79	-38.58
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010806513	0	39	-1.0	-57.78	334.87	3.40	-54.38
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806514	0	37	-1.0	-51.04	311.31	5.60	-45.44
CN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010806515	0	32	-1.0	-52.72	295.76	4.07	-48.65
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806516	0	35	-1.0	-48.73	304.08	5.25	-43.48
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806517	0	38	-1.0	-46.66	347.78	5.68	-40.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=N2)C1	REAL300010806518	0	31	-1.0	-49.72	295.71	3.32	-46.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300010806519	0	41	-1.0	-59.22	361.30	2.73	-56.49
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300010806520	0	39	-1.0	-51.07	339.26	3.63	-47.44
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010806521	0	46	-1.0	-57.86	371.07	6.25	-51.61
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300010806522	0	37	-1.0	-63.49	327.57	0.63	-62.86
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300010806523	0	42	-1.0	-47.03	333.57	4.99	-42.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2Br)C1	REAL300010806524	0	32	-1.0	-45.35	293.84	5.11	-40.24
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010806525	0	43	-1.0	-49.16	361.88	4.11	-45.05
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300010806526	0	35	-1.0	-50.86	323.68	5.97	-44.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)C1	REAL300010806527	0	32	-1.0	-43.74	314.21	5.69	-38.05
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806528	0	45	-1.0	-54.84	379.67	4.32	-50.52
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806529	0	46	-1.0	-55.30	384.43	3.50	-51.80
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806530	0	40	-1.0	-53.73	339.02	7.12	-46.61
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806531	0	44	-1.0	-47.50	357.47	7.21	-40.29
COCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806532	0	42	-1.0	-48.13	352.83	5.03	-43.10
COCCN(CCOC)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806533	0	44	-1.0	-49.59	351.59	2.88	-46.71
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806534	0	35	-1.0	-44.42	304.98	5.58	-38.84
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806535	0	48	-1.0	-47.01	388.18	6.85	-40.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300010806536	0	46	-1.0	-47.41	373.55	6.80	-40.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806537	0	45	-1.0	-47.08	369.22	6.24	-40.84
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806538	0	42	-1.0	-47.17	349.11	5.55	-41.62
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010806539	0	36	-1.0	-46.35	323.60	4.47	-41.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300010806540	0	36	-1.0	-47.50	333.36	4.74	-42.76
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806541	0	39	-1.0	-48.83	328.16	4.64	-44.19
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010806542	0	45	-1.0	-46.90	367.44	6.20	-40.70
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300010806543	0	39	-1.0	-48.15	311.99	4.27	-43.88
COCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806544	0	43	-1.0	-48.94	361.24	4.02	-44.92
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300010806545	0	35	-1.0	-51.81	307.70	5.37	-46.44
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806546	0	43	-1.0	-58.07	368.84	4.28	-53.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300010806547	0	47	-1.0	-52.99	383.36	4.04	-48.95
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300010806548	0	35	-1.0	-52.93	307.32	5.66	-47.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C1	REAL300010806549	0	38	-1.0	-55.98	345.58	2.45	-53.53
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806550	0	38	-1.0	-53.22	341.75	6.96	-46.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300010806551	0	37	-1.0	-50.98	319.06	5.01	-45.97
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806552	0	36	-1.0	-49.92	313.92	5.00	-44.92
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806553	0	36	-1.0	-48.51	306.13	5.41	-43.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2F)C1	REAL300010806554	0	33	-1.0	-53.33	299.29	4.92	-48.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)C1	REAL300010806555	0	36	-1.0	-57.52	325.32	5.58	-51.94
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300010806556	0	42	-1.0	-53.07	360.67	5.30	-47.77
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806557	0	41	-1.0	-46.69	348.88	5.80	-40.89
COC(=O)CCN(C)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806558	0	39	-1.0	-50.34	332.71	3.47	-46.87
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300010806559	0	42	-1.0	-56.60	352.42	0.26	-56.34
CN(C1CCOCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806560	0	41	-1.0	-50.67	324.73	2.62	-48.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C1	REAL300010806561	0	41	-1.0	-59.40	347.26	4.67	-54.73
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010806562	0	41	-1.0	-53.62	343.59	5.78	-47.84
CCN1N=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010806563	0	41	-1.0	-47.96	337.38	4.55	-43.41
CC(C)N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806564	0	38	-1.0	-48.54	323.81	3.68	-44.86
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806565	0	41	-1.0	-54.31	341.28	5.84	-48.47
CC(C)N1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806566	0	38	-1.0	-50.47	323.53	5.01	-45.46
CC(C)C1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1	REAL300010806567	0	38	-1.0	-53.62	320.55	3.03	-50.59
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806568	0	44	-1.0	-47.56	333.26	7.54	-40.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300010806569	0	45	-1.0	-53.12	376.48	7.25	-45.87
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806570	0	40	-1.0	-55.80	345.48	3.98	-51.82
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1Cl	REAL300010806571	0	39	-1.0	-54.92	354.87	4.35	-50.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300010806572	0	39	-1.0	-57.16	342.21	5.85	-51.31
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300010806573	0	38	-1.0	-49.92	340.73	5.21	-44.71
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010806574	0	36	-1.0	-52.17	327.69	4.69	-47.48
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010806575	0	42	-1.0	-44.29	365.64	6.54	-37.75
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(Br)O1	REAL300010806576	0	35	-1.0	-44.87	331.71	3.76	-41.11
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(Br)S1	REAL300010806577	0	32	-1.0	-46.11	300.70	4.87	-41.24
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1	REAL300010806578	0	36	-1.0	-49.44	321.49	2.97	-46.47
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C1	REAL300010806579	0	33	-1.0	-45.13	314.30	5.42	-39.71
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010806580	0	40	-1.0	-54.42	317.29	7.15	-47.27
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806581	0	38	-1.0	-54.00	338.00	5.53	-48.47
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806582	0	41	-1.0	-58.77	345.48	2.58	-56.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C1	REAL300010806583	0	36	-1.0	-44.64	325.49	6.41	-38.23
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C1	REAL300010806584	0	33	-1.0	-45.14	314.32	5.42	-39.72
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806585	0	48	-1.0	-50.95	388.93	6.28	-44.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)C1	REAL300010806586	0	43	-1.0	-62.67	364.82	4.55	-58.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300010806587	0	44	-1.0	-51.16	387.09	2.46	-48.70
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806588	0	40	-1.0	-52.83	352.88	0.69	-52.14
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806589	0	42	-1.0	-55.03	374.42	3.54	-51.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300010806590	0	35	-1.0	-52.22	316.30	3.37	-48.85
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806591	0	38	-1.0	-48.32	337.60	4.13	-44.19
CC1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806592	0	34	-1.0	-46.48	306.07	3.09	-43.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010806593	0	34	-1.0	-65.09	292.63	6.42	-58.67
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300010806594	0	35	-1.0	-50.69	336.29	6.32	-44.37
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)N1	REAL300010806595	0	45	-1.0	-53.59	371.88	5.21	-48.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010806596	0	32	-1.0	-51.10	297.64	5.53	-45.57
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)S2)=CS1	REAL300010806597	0	38	-1.0	-49.36	356.75	5.10	-44.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300010806598	0	52	-1.0	-47.16	410.84	8.13	-39.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C1	REAL300010806599	0	42	-1.0	-55.19	375.35	4.19	-51.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(I)=C2)C1	REAL300010806600	0	32	-1.0	-47.19	305.87	5.71	-41.48
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806601	0	41	-1.0	-48.13	342.99	5.71	-42.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010806602	0	34	-1.0	-59.17	313.61	6.93	-52.24
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300010806603	0	40	-1.0	-48.41	337.17	3.69	-44.72
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300010806604	0	43	-1.0	-50.20	343.44	4.26	-45.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010806605	0	34	-1.0	-53.84	307.06	6.97	-46.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300010806606	0	35	-1.0	-49.40	318.14	5.52	-43.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2C#N)C1	REAL300010806607	0	33	-1.0	-58.01	292.67	4.64	-53.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C#N)C1	REAL300010806608	0	33	-1.0	-57.76	303.00	5.09	-52.67
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300010806609	0	35	-1.0	-47.64	317.58	5.81	-41.83
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806610	0	35	-1.0	-47.48	293.70	5.12	-42.36
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806611	0	38	-1.0	-55.34	335.62	3.31	-52.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300010806612	0	38	-1.0	-47.39	327.75	7.06	-40.33
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300010806613	0	37	-1.0	-51.93	332.81	6.71	-45.22
CC1=C(Br)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806614	0	32	-1.0	-49.26	309.96	4.90	-44.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC#N)C=C2)C1	REAL300010806615	0	36	-1.0	-52.42	318.51	5.70	-46.72
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(F)=C1F	REAL300010806616	0	38	-1.0	-49.47	342.37	5.31	-44.16
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300010806617	0	50	-1.0	-46.92	364.97	6.22	-40.70
CC1=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300010806618	0	40	-1.0	-56.04	332.53	6.06	-49.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300010806619	0	43	-1.0	-47.81	353.40	3.08	-44.73
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Br	REAL300010806620	0	35	-1.0	-47.25	305.58	5.60	-41.65
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806621	0	38	-1.0	-51.28	337.48	5.75	-45.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300010806622	0	40	-1.0	-50.62	338.07	2.43	-48.19
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010806623	0	38	-1.0	-47.59	333.61	5.36	-42.23
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806624	0	38	-1.0	-44.26	327.31	6.07	-38.19
COCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806625	0	39	-1.0	-51.15	336.02	2.16	-48.99
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010806626	0	45	-1.0	-49.76	363.47	6.93	-42.83
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806627	0	42	-1.0	-49.97	345.14	6.06	-43.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300010806628	0	37	-1.0	-56.58	327.33	4.75	-51.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300010806629	0	39	-1.0	-51.74	339.61	5.71	-46.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300010806630	0	34	-1.0	-51.47	323.00	5.73	-45.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C#N)C1	REAL300010806631	0	33	-1.0	-49.41	293.63	4.66	-44.75
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806632	0	46	-1.0	-48.99	383.10	4.98	-44.01
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806633	0	48	-1.0	-47.06	392.11	7.11	-39.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010806634	0	34	-1.0	-61.86	290.19	6.45	-55.41
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300010806635	0	38	-1.0	-47.43	337.42	5.29	-42.14
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300010806636	0	38	-1.0	-47.91	350.43	5.91	-42.00
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806637	0	42	-1.0	-54.60	356.90	5.16	-49.44
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806638	0	35	-1.0	-51.23	326.35	4.29	-46.94
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806639	0	44	-1.0	-53.33	356.68	6.26	-47.07
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C	REAL300010806640	0	41	-1.0	-49.04	348.90	5.79	-43.25
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806641	0	38	-1.0	-51.31	333.22	5.13	-46.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300010806642	0	42	-1.0	-50.35	328.42	7.04	-43.31
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300010806643	0	38	-1.0	-53.87	327.08	6.42	-47.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010806644	0	31	-1.0	-48.20	293.10	3.37	-44.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300010806645	0	36	-1.0	-44.81	332.66	5.98	-38.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300010806646	0	32	-1.0	-43.88	305.09	5.28	-38.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300010806647	0	39	-1.0	-59.79	343.18	2.48	-57.31
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806648	0	35	-1.0	-46.52	306.55	5.61	-40.91
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300010806649	0	36	-1.0	-45.77	328.00	4.58	-41.19
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300010806650	0	43	-1.0	-51.05	354.14	5.81	-45.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300010806651	0	40	-1.0	-49.51	357.04	1.39	-48.12
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300010806652	0	49	-1.0	-50.26	408.99	3.78	-46.48
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806653	0	36	-1.0	-48.03	316.91	4.34	-43.69
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806654	0	41	-1.0	-59.90	358.95	2.98	-56.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300010806655	0	34	-1.0	-46.76	326.86	4.51	-42.25
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806656	0	37	-1.0	-53.86	325.27	5.32	-48.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C1	REAL300010806657	0	33	-1.0	-46.37	318.39	5.53	-40.84
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300010806658	0	39	-1.0	-45.89	349.85	5.51	-40.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300010806659	0	37	-1.0	-52.66	327.42	0.03	-52.63
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2S1	REAL300010806660	0	46	-1.0	-48.02	391.08	6.56	-41.46
COC(=O)CC1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806661	0	41	-1.0	-51.64	343.56	5.05	-46.59
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806662	0	37	-1.0	-49.90	336.09	4.87	-45.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300010806663	0	37	-1.0	-49.25	313.27	3.84	-45.41
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300010806664	0	40	-1.0	-56.02	342.28	5.87	-50.15
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300010806665	0	38	-1.0	-57.63	315.36	0.88	-56.75
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806666	0	42	-1.0	-53.05	358.83	5.51	-47.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300010806667	0	37	-1.0	-49.94	324.52	4.70	-45.24
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300010806668	0	42	-1.0	-47.82	333.83	5.20	-42.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806669	0	40	-1.0	-57.89	353.39	0.73	-57.16
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806670	0	41	-1.0	-52.34	350.65	6.35	-45.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300010806671	0	36	-1.0	-52.25	310.42	4.69	-47.56
CSC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806672	0	36	-1.0	-47.21	316.47	5.54	-41.67
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806673	0	44	-1.0	-47.08	374.40	6.90	-40.18
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300010806674	0	38	-1.0	-53.36	341.40	6.33	-47.03
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806675	0	43	-1.0	-49.86	348.62	6.37	-43.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300010806676	0	31	-1.0	-51.04	295.35	3.46	-47.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300010806677	0	38	-1.0	-50.96	314.58	4.15	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300010806678	0	37	-1.0	-49.60	307.09	4.69	-44.91
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806679	0	35	-1.0	-44.30	309.54	5.68	-38.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C1	REAL300010806680	0	40	-1.0	-51.41	338.87	3.75	-47.66
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806681	0	48	-1.0	-50.50	391.40	5.45	-45.05
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OCC	REAL300010806682	0	46	-1.0	-48.02	380.52	5.66	-42.36
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010806683	0	38	-1.0	-62.99	322.07	3.39	-59.60
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806684	0	38	-1.0	-47.79	315.51	3.70	-44.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300010806685	0	37	-1.0	-53.52	330.45	-0.52	-54.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300010806686	0	43	-1.0	-57.35	356.86	5.69	-51.66
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806687	0	46	-1.0	-54.78	371.68	6.16	-48.62
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010806688	0	40	-1.0	-55.27	332.13	6.24	-49.03
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806689	0	38	-1.0	-47.51	331.04	5.18	-42.33
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806690	0	43	-1.0	-59.25	355.17	5.55	-53.70
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806691	0	39	-1.0	-49.74	332.71	2.80	-46.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C1	REAL300010806692	0	36	-1.0	-49.64	310.77	1.30	-48.34
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2CC1C	REAL300010806693	0	46	-1.0	-53.61	370.65	6.09	-47.52
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=CS1	REAL300010806694	0	35	-1.0	-53.82	310.14	4.48	-49.34
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806695	0	35	-1.0	-47.30	326.46	4.36	-42.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)C1	REAL300010806696	0	36	-1.0	-45.51	334.73	5.79	-39.72
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806697	0	38	-1.0	-60.76	329.63	3.16	-57.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C1	REAL300010806698	0	38	-1.0	-51.25	334.64	1.61	-49.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300010806699	0	38	-1.0	-48.11	328.82	1.84	-46.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)CO3)C1	REAL300010806700	0	38	-1.0	-47.86	335.51	2.15	-45.71
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2N=C1	REAL300010806701	0	40	-1.0	-54.53	333.87	6.20	-48.33
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300010806702	0	38	-1.0	-61.94	326.34	5.71	-56.23
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806703	0	36	-1.0	-51.41	317.44	4.96	-46.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300010806704	0	36	-1.0	-50.30	316.52	4.87	-45.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300010806705	0	37	-1.0	-59.28	330.97	-0.48	-59.76
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806706	0	38	-1.0	-53.86	332.88	5.27	-48.59
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300010806707	0	44	-1.0	-52.94	384.56	2.34	-50.60
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010806708	0	37	-1.0	-53.61	330.60	6.01	-47.60
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2)C1	REAL300010806709	0	35	-1.0	-51.34	308.79	5.41	-45.93
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Cl)=C1	REAL300010806710	0	35	-1.0	-53.19	304.75	5.54	-47.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)C1	REAL300010806711	0	38	-1.0	-49.70	333.58	0.99	-48.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300010806712	0	38	-1.0	-56.48	336.97	2.04	-54.44
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C1=O	REAL300010806713	0	39	-1.0	-50.36	343.71	3.88	-46.48
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806714	0	40	-1.0	-50.43	343.81	6.12	-44.31
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806715	0	35	-1.0	-44.24	292.69	5.19	-39.05
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300010806716	0	41	-1.0	-48.43	335.48	5.89	-42.54
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010806717	0	40	-1.0	-49.89	329.06	5.58	-44.31
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806718	0	38	-1.0	-54.69	330.38	4.48	-50.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C1	REAL300010806719	0	37	-1.0	-49.19	325.77	6.12	-43.07
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806720	0	40	-1.0	-51.44	334.12	7.48	-43.96
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300010806721	0	46	-1.0	-49.20	373.11	5.31	-43.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300010806722	0	36	-1.0	-47.04	324.08	4.41	-42.63
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806723	0	43	-1.0	-57.90	372.38	2.56	-55.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2Cl)C1	REAL300010806724	0	32	-1.0	-50.18	289.73	4.94	-45.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010806725	0	34	-1.0	-51.88	315.13	6.97	-44.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300010806726	0	44	-1.0	-53.14	364.02	3.96	-49.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300010806727	0	42	-1.0	-47.78	339.30	8.01	-39.77
CC1CC(C)CN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300010806728	0	43	-1.0	-46.45	336.54	4.89	-41.56
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806729	0	41	-1.0	-53.65	354.74	6.19	-47.46
CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806730	0	46	-1.0	-59.03	367.76	4.50	-54.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010806731	0	32	-1.0	-45.66	293.00	5.04	-40.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300010806732	0	32	-1.0	-45.65	297.56	5.15	-40.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010806733	0	34	-1.0	-46.40	304.49	5.19	-41.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300010806734	0	38	-1.0	-48.92	324.03	6.90	-42.02
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806735	0	39	-1.0	-51.84	332.61	3.41	-48.43
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806736	0	37	-1.0	-45.27	316.44	5.76	-39.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010806737	0	34	-1.0	-63.69	295.07	6.26	-57.43
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806738	0	39	-1.0	-49.05	342.97	5.93	-43.12
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806739	0	39	-1.0	-48.38	327.63	4.74	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2F)C1	REAL300010806740	0	32	-1.0	-51.41	284.93	4.59	-46.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(F)=C2)C1	REAL300010806741	0	32	-1.0	-45.45	291.40	4.73	-40.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300010806742	0	38	-1.0	-50.17	322.57	3.77	-46.40
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300010806743	0	41	-1.0	-47.72	323.87	6.62	-41.10
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806744	0	47	-1.0	-46.09	364.45	7.38	-38.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300010806745	0	32	-1.0	-43.80	310.00	5.59	-38.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2)C1	REAL300010806746	0	32	-1.0	-44.26	290.79	4.73	-39.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300010806747	0	32	-1.0	-45.22	301.60	5.45	-39.77
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300010806748	0	35	-1.0	-48.42	317.15	5.62	-42.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010806749	0	35	-1.0	-52.95	300.28	5.73	-47.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300010806750	0	35	-1.0	-43.83	329.98	6.03	-37.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300010806751	0	32	-1.0	-47.51	294.82	5.13	-42.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300010806752	0	35	-1.0	-45.55	323.60	5.93	-39.62
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806753	0	37	-1.0	-48.31	319.02	5.01	-43.30
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300010806754	0	32	-1.0	-43.92	300.67	5.18	-38.74
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806755	0	37	-1.0	-57.31	320.86	5.09	-52.22
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300010806756	0	41	-1.0	-54.36	353.64	3.62	-50.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300010806757	0	31	-1.0	-44.50	304.35	3.64	-40.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300010806758	0	35	-1.0	-51.80	307.85	5.01	-46.79
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806759	0	36	-1.0	-48.12	314.34	4.23	-43.89
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010806760	0	41	-1.0	-54.67	364.54	7.26	-47.41
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806761	0	41	-1.0	-52.07	353.22	5.97	-46.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300010806762	0	39	-1.0	-47.99	324.00	6.53	-41.46
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300010806763	0	42	-1.0	-52.53	358.23	6.33	-46.20
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010806764	0	43	-1.0	-57.95	357.26	5.66	-52.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2C#N)C1	REAL300010806765	0	33	-1.0	-59.24	303.85	5.07	-54.17
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806766	0	36	-1.0	-48.74	305.53	5.45	-43.29
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300010806767	0	46	-1.0	-51.63	380.80	4.37	-47.26
CC1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300010806768	0	40	-1.0	-46.19	351.05	5.67	-40.52
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010806769	0	37	-1.0	-46.00	322.30	5.80	-40.20
COC(=O)C1=COC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806770	0	35	-1.0	-50.44	318.93	3.32	-47.12
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806771	0	43	-1.0	-56.34	364.98	5.32	-51.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300010806772	0	34	-1.0	-50.37	308.26	4.01	-46.36
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806773	0	42	-1.0	-55.77	354.51	5.18	-50.59
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=C1	REAL300010806774	0	33	-1.0	-54.92	297.07	3.60	-51.32
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C	REAL300010806775	0	42	-1.0	-61.35	351.69	4.36	-56.99
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010806776	0	44	-1.0	-49.66	352.55	5.17	-44.49
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300010806777	0	34	-1.0	-46.97	308.74	3.83	-43.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300010806778	0	38	-1.0	-52.19	330.43	3.65	-48.54
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806779	0	41	-1.0	-46.55	350.31	6.19	-40.36
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C#N	REAL300010806780	0	36	-1.0	-49.71	306.98	5.13	-44.58
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806781	0	40	-1.0	-50.38	337.59	3.21	-47.17
CN1C=NC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806782	0	38	-1.0	-56.87	326.87	5.96	-50.91
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC	REAL300010806783	0	44	-1.0	-47.60	355.13	7.18	-40.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806784	0	40	-1.0	-45.32	330.63	6.62	-38.70
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)O1	REAL300010806785	0	38	-1.0	-46.54	330.51	3.90	-42.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300010806786	0	33	-1.0	-45.95	295.30	2.53	-43.42
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806787	0	34	-1.0	-51.93	303.75	2.92	-49.01
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300010806788	0	38	-1.0	-46.28	325.61	5.94	-40.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300010806789	0	40	-1.0	-60.47	337.68	3.07	-57.40
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300010806790	0	39	-1.0	-55.21	339.26	4.73	-50.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010806791	0	32	-1.0	-47.54	299.89	5.16	-42.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300010806792	0	31	-1.0	-48.31	288.53	3.26	-45.05
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806793	0	43	-1.0	-47.44	358.88	6.36	-41.08
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010806794	0	35	-1.0	-52.47	324.97	5.90	-46.57
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300010806795	0	37	-1.0	-50.77	320.10	0.79	-49.98
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806796	0	35	-1.0	-44.10	303.02	5.63	-38.47
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806797	0	43	-1.0	-50.12	355.76	4.91	-45.21
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300010806798	0	40	-1.0	-50.95	342.03	2.28	-48.67
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300010806799	0	42	-1.0	-47.38	331.81	5.26	-42.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C1	REAL300010806800	0	40	-1.0	-55.45	343.08	4.06	-51.39
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806801	0	41	-1.0	-53.69	357.19	6.01	-47.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010806802	0	43	-1.0	-50.68	354.50	4.71	-45.97
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806803	0	41	-1.0	-55.27	357.64	5.96	-49.31
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300010806804	0	38	-1.0	-52.08	338.16	4.29	-47.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010806805	0	43	-1.0	-50.03	360.50	8.64	-41.39
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806806	0	42	-1.0	-51.19	362.12	5.44	-45.75
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806807	0	45	-1.0	-51.58	383.08	5.59	-45.99
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806808	0	42	-1.0	-48.57	334.29	5.10	-43.47
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010806809	0	36	-1.0	-59.29	317.40	4.94	-54.35
CCOC(=O)CCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806810	0	40	-1.0	-56.70	341.73	4.80	-51.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010806811	0	35	-1.0	-50.89	306.36	6.17	-44.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010806812	0	34	-1.0	-58.85	318.17	7.03	-51.82
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806813	0	37	-1.0	-60.71	306.98	6.50	-54.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010806814	0	34	-1.0	-49.34	314.12	5.66	-43.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010806815	0	29	-1.0	-47.68	286.85	4.21	-43.47
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010806816	0	36	-1.0	-48.73	309.29	4.75	-43.98
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010806817	0	40	-1.0	-49.74	326.31	5.91	-43.83
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010806818	0	34	-1.0	-53.94	314.53	3.95	-49.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300010806819	0	40	-1.0	-49.98	340.05	3.73	-46.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010806820	0	37	-1.0	-53.70	306.74	4.77	-48.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010806821	0	31	-1.0	-46.26	302.16	3.67	-42.59
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010806822	0	34	-1.0	-50.96	306.76	5.18	-45.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010806823	0	34	-1.0	-44.51	322.48	5.74	-38.77
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806824	0	41	-1.0	-53.36	357.31	3.14	-50.22
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010806825	0	37	-1.0	-46.64	328.92	5.29	-41.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010806826	0	34	-1.0	-53.31	312.37	6.02	-47.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010806827	0	34	-1.0	-47.63	310.89	5.26	-42.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010806828	0	39	-1.0	-47.70	347.19	5.21	-42.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010806829	0	34	-1.0	-51.60	319.70	7.07	-44.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010806830	0	46	-1.0	-48.59	387.52	7.79	-40.80
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C(=O)C2	REAL300010806831	0	47	-1.0	-56.02	357.81	7.19	-48.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C1	REAL300010806832	0	40	-1.0	-57.97	355.75	1.15	-56.82
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806833	0	40	-1.0	-57.22	341.17	5.88	-51.34
CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806834	0	45	-1.0	-52.40	365.24	3.40	-49.00
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010806835	0	41	-1.0	-50.63	355.65	5.80	-44.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300010806836	0	42	-1.0	-48.90	362.24	6.12	-42.78
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806837	0	54	-1.0	-47.49	415.55	7.50	-39.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300010806838	0	40	-1.0	-56.25	353.56	1.14	-55.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300010806839	0	35	-1.0	-51.67	309.23	5.38	-46.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C1	REAL300010806840	0	38	-1.0	-53.79	343.17	2.16	-51.63
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1F	REAL300010806841	0	35	-1.0	-44.44	306.77	5.24	-39.20
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806842	0	39	-1.0	-49.82	340.19	5.61	-44.21
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806843	0	44	-1.0	-50.11	369.77	6.13	-43.98
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2F)N=C1	REAL300010806844	0	42	-1.0	-48.42	361.68	6.47	-41.95
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806845	0	39	-1.0	-49.90	354.53	4.46	-45.44
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806846	0	39	-1.0	-57.21	342.91	-0.67	-57.88
CC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010806847	0	35	-1.0	-46.16	306.73	5.25	-40.91
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010806848	0	37	-1.0	-47.22	329.11	6.11	-41.11
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010806849	0	38	-1.0	-49.27	333.05	5.63	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010806850	0	29	-1.0	-43.01	299.19	4.64	-38.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300010806851	0	44	-1.0	-51.62	372.76	6.55	-45.07
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300010806852	0	32	-1.0	-47.67	286.36	4.60	-43.07
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300010806853	0	32	-1.0	-46.00	301.36	5.16	-40.84
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010806854	0	38	-1.0	-46.50	333.01	6.12	-40.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010806855	0	38	-1.0	-47.49	351.42	5.37	-42.12
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300010806856	0	40	-1.0	-50.62	345.37	4.30	-46.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806857	0	39	-1.0	-52.67	347.73	5.19	-47.48
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300010806858	0	35	-1.0	-50.15	329.45	5.97	-44.18
CC1=NOC2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300010806859	0	36	-1.0	-51.90	318.81	1.55	-50.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300010806860	0	41	-1.0	-48.87	357.81	7.37	-41.50
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010806861	0	34	-1.0	-53.94	314.53	3.95	-49.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300010806862	0	34	-1.0	-44.46	314.57	5.65	-38.81
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806863	0	38	-1.0	-53.66	331.42	6.51	-47.15
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300010806864	0	35	-1.0	-50.66	315.86	5.79	-44.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300010806865	0	44	-1.0	-59.31	375.19	3.10	-56.21
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010806866	0	39	-1.0	-51.06	348.38	5.13	-45.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010806867	0	32	-1.0	-45.15	306.16	5.55	-39.60
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CN=C21	REAL300010806868	0	40	-1.0	-50.50	345.94	1.94	-48.56
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300010806869	0	41	-1.0	-47.23	359.28	6.22	-41.01
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300010806870	0	40	-1.0	-52.15	342.42	5.56	-46.59
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300010806871	0	35	-1.0	-46.95	333.74	6.56	-40.39
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010806872	0	38	-1.0	-53.31	343.32	7.44	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300010806873	0	35	-1.0	-49.66	325.79	6.24	-43.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300010806874	0	38	-1.0	-50.93	326.35	7.54	-43.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300010806875	0	38	-1.0	-50.49	329.98	7.14	-43.35
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300010806876	0	46	-1.0	-49.50	389.76	6.77	-42.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C1	REAL300010806877	0	38	-1.0	-50.61	343.18	2.16	-48.45
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806878	0	45	-1.0	-55.00	383.78	6.07	-48.93
CC1(C(=O)[O-])CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300010806879	0	43	-1.0	-56.69	379.05	1.65	-55.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C1	REAL300010806880	0	33	-1.0	-47.03	305.56	5.20	-41.83
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300010806881	0	43	-1.0	-47.77	352.70	5.27	-42.50
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806882	0	32	-1.0	-47.43	293.56	3.38	-44.05
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806883	0	37	-1.0	-43.16	328.92	6.10	-37.06
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1Cl	REAL300010806884	0	32	-1.0	-55.11	298.27	3.45	-51.66
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C1	REAL300010806885	0	35	-1.0	-52.91	312.45	5.03	-47.88
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806886	0	38	-1.0	-58.77	340.25	6.91	-51.86
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806887	0	44	-1.0	-47.48	347.18	4.85	-42.63
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300010806888	0	37	-1.0	-49.07	312.19	4.37	-44.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300010806889	0	38	-1.0	-60.51	337.48	2.08	-58.43
CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806890	0	46	-1.0	-51.50	373.62	5.33	-46.17
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806891	0	40	-1.0	-59.66	333.70	6.20	-53.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300010806892	0	35	-1.0	-58.05	305.08	3.76	-54.29
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806893	0	42	-1.0	-51.47	352.92	4.23	-47.24
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300010806894	0	35	-1.0	-50.99	324.90	5.85	-45.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010806895	0	33	-1.0	-54.87	295.85	5.59	-49.28
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806896	0	41	-1.0	-53.90	347.20	6.42	-47.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300010806897	0	32	-1.0	-45.52	291.24	4.99	-40.53
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806898	0	51	-1.0	-66.37	375.72	7.27	-59.10
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300010806899	0	35	-1.0	-54.07	327.65	6.18	-47.89
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010806900	0	39	-1.0	-51.45	348.61	4.01	-47.44
CC1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300010806901	0	40	-1.0	-49.14	333.11	5.13	-44.01
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010806902	0	36	-1.0	-45.97	329.22	4.74	-41.23
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806903	0	44	-1.0	-53.85	359.08	3.21	-50.64
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CS1	REAL300010806904	0	35	-1.0	-47.74	325.36	4.30	-43.44
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806905	0	41	-1.0	-53.46	363.28	7.40	-46.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300010806906	0	43	-1.0	-49.73	384.50	7.92	-41.81
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010806907	0	41	-1.0	-52.63	337.82	5.60	-47.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300010806908	0	34	-1.0	-47.53	325.78	5.82	-41.71
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806909	0	36	-1.0	-46.97	329.92	5.26	-41.71
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806910	0	44	-1.0	-50.74	357.59	5.17	-45.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010806911	0	34	-1.0	-56.16	305.00	5.23	-50.93
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300010806912	0	46	-1.0	-48.29	389.19	8.09	-40.20
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806913	0	39	-1.0	-50.12	323.66	5.15	-44.97
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C#N)C=C2)C1	REAL300010806914	0	36	-1.0	-53.26	323.23	5.73	-47.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300010806915	0	35	-1.0	-49.85	310.79	2.07	-47.78
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010806916	0	40	-1.0	-49.87	339.57	4.98	-44.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010806917	0	32	-1.0	-45.40	304.05	5.62	-39.78
COC(=O)C1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010806918	0	43	-1.0	-51.27	351.96	4.38	-46.89
COC1=C(C)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806919	0	42	-1.0	-47.39	351.67	5.50	-41.89
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010806920	0	41	-1.0	-54.97	373.73	5.70	-49.27
COCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806921	0	39	-1.0	-48.93	333.16	4.33	-44.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C1	REAL300010806922	0	32	-1.0	-47.61	310.72	4.70	-42.91
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300010806923	0	41	-1.0	-56.65	357.35	6.48	-50.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010806924	0	38	-1.0	-52.93	344.52	5.31	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010806925	0	38	-1.0	-47.20	361.74	5.83	-41.37
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC(F)(F)F)C1	REAL300010806926	0	35	-1.0	-51.03	317.53	2.79	-48.24
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2O1	REAL300010806927	0	37	-1.0	-50.07	319.93	2.17	-47.90
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806928	0	44	-1.0	-48.15	325.88	7.50	-40.65
CC1=CC(Br)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010806930	0	32	-1.0	-47.86	308.28	5.14	-42.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)C1	REAL300010806931	0	37	-1.0	-48.35	337.83	5.37	-42.98
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010806932	0	41	-1.0	-52.34	341.25	6.52	-45.82
CC1=C(Br)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300010806933	0	31	-1.0	-49.40	304.93	2.89	-46.51
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806934	0	37	-1.0	-43.61	320.97	5.75	-37.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)C1	REAL300010806935	0	36	-1.0	-46.83	330.86	3.49	-43.34
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010806936	0	37	-1.0	-54.13	323.09	6.51	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010806937	0	40	-1.0	-55.03	343.85	6.47	-48.56
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010806938	0	40	-1.0	-51.60	351.92	6.78	-44.82
CC1=NN2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=NC2=C1Cl	REAL300010806939	0	37	-1.0	-49.05	339.54	4.56	-44.49
CCCN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806940	0	38	-1.0	-54.17	326.53	5.34	-48.83
CCCCCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)NC1=O	REAL300010806941	0	50	-1.0	-51.11	412.40	5.31	-45.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010806942	0	32	-1.0	-42.18	305.33	5.10	-37.08
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300010806943	0	35	-1.0	-56.84	311.22	5.35	-51.49
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC(C)(C(=O)[O-])C4)C=CC1=C23	REAL300010806944	0	43	-1.0	-51.49	356.62	6.24	-45.25
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(C#N)=CC=C2F)C1	REAL300010806945	0	36	-1.0	-54.85	328.99	5.73	-49.12
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010806946	0	37	-1.0	-44.76	329.31	5.85	-38.91
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806947	0	38	-1.0	-58.76	329.91	6.47	-52.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010806948	0	46	-1.0	-54.30	383.97	5.81	-48.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010806949	0	35	-1.0	-59.17	306.27	4.07	-55.10
CC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806950	0	35	-1.0	-48.95	307.76	5.66	-43.29
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806951	0	35	-1.0	-49.66	305.16	5.55	-44.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010806952	0	35	-1.0	-50.50	314.57	5.41	-45.09
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010806953	0	43	-1.0	-48.62	378.50	2.28	-46.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010806954	0	31	-1.0	-49.10	294.11	3.92	-45.18
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300010806955	0	43	-1.0	-51.18	357.12	5.23	-45.95
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010806956	0	35	-1.0	-48.94	336.27	6.38	-42.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC(N)=O)C1	REAL300010806957	0	40	-1.0	-58.58	355.61	2.86	-55.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010806958	0	31	-1.0	-47.42	295.79	3.54	-43.88
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1C	REAL300010806959	0	38	-1.0	-51.59	323.63	4.42	-47.17
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806960	0	37	-1.0	-47.61	327.00	3.36	-44.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C1	REAL300010806961	0	35	-1.0	-51.98	338.30	1.40	-50.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010806962	0	40	-1.0	-48.90	332.72	5.20	-43.70
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806963	0	42	-1.0	-47.32	345.54	5.37	-41.95
CC1=C(C)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806964	0	35	-1.0	-47.84	311.74	5.03	-42.81
COCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010806965	0	39	-1.0	-48.30	331.34	4.24	-44.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C1	REAL300010806966	0	41	-1.0	-55.53	367.48	4.42	-51.11
CC1(C(=O)[O-])CCN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010806967	0	43	-1.0	-49.76	336.23	10.44	-39.32
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010806968	0	35	-1.0	-47.24	303.53	5.51	-41.73
CC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300010806969	0	37	-1.0	-47.24	335.64	5.65	-41.59
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010806970	0	43	-1.0	-50.65	382.84	3.58	-47.07
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300010806971	0	45	-1.0	-51.56	375.59	7.17	-44.39
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2C#N)C1	REAL300010806972	0	36	-1.0	-51.47	338.01	6.05	-45.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010806973	0	41	-1.0	-56.34	345.11	8.53	-47.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300010806974	0	41	-1.0	-45.81	322.40	2.74	-43.07
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300010806975	0	35	-1.0	-47.64	302.32	3.18	-44.46
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010806976	0	40	-1.0	-58.18	322.23	6.08	-52.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010806977	0	38	-1.0	-53.34	315.84	6.09	-47.25
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010806978	0	45	-1.0	-57.54	365.48	5.70	-51.84
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300010806979	0	44	-1.0	-51.99	352.30	1.59	-50.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010806980	0	38	-1.0	-46.25	344.87	2.61	-43.64
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806981	0	41	-1.0	-46.69	359.32	6.17	-40.52
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806982	0	39	-1.0	-52.15	325.12	4.78	-47.37
CCC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010806983	0	41	-1.0	-50.49	352.29	4.69	-45.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010806984	0	49	-1.0	-60.34	390.04	6.34	-54.00
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806985	0	45	-1.0	-51.04	385.16	6.23	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C1	REAL300010806986	0	33	-1.0	-52.13	304.08	5.27	-46.86
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010806987	0	36	-1.0	-47.30	327.70	5.10	-42.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300010806988	0	39	-1.0	-51.80	323.87	4.66	-47.14
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300010806989	0	37	-1.0	-57.90	326.19	4.65	-53.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010806990	0	52	-1.0	-48.87	392.42	6.13	-42.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300010806991	0	46	-1.0	-52.29	372.56	4.92	-47.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300010806992	0	43	-1.0	-56.68	377.45	5.39	-51.29
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300010806993	0	35	-1.0	-48.22	300.33	5.18	-43.04
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010806994	0	38	-1.0	-46.67	325.30	2.14	-44.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010806995	0	34	-1.0	-45.14	311.76	3.84	-41.30
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=N1	REAL300010806996	0	34	-1.0	-59.37	313.80	3.00	-56.37
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010806997	0	38	-1.0	-46.95	337.46	5.24	-41.71
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807001	0	44	-1.0	-47.32	342.04	5.29	-42.03
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807002	0	47	-1.0	-50.56	376.25	6.00	-44.56
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807003	0	40	-1.0	-57.36	351.72	7.06	-50.30
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807004	0	39	-1.0	-51.84	332.61	3.41	-48.43
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807005	0	40	-1.0	-48.35	331.44	6.24	-42.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300010807006	0	37	-1.0	-49.05	332.88	5.15	-43.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010807007	0	32	-1.0	-45.40	304.05	5.62	-39.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010807008	0	34	-1.0	-63.69	295.07	6.26	-57.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010807009	0	29	-1.0	-50.72	281.14	3.30	-47.42
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1	REAL300010807010	0	42	-1.0	-63.97	331.70	5.49	-58.48
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300010807011	0	44	-1.0	-53.21	326.52	6.10	-47.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010807012	0	34	-1.0	-56.16	305.00	5.23	-50.93
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807013	0	36	-1.0	-47.38	327.06	4.44	-42.94
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300010807014	0	42	-1.0	-54.89	361.12	5.66	-49.23
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010807015	0	45	-1.0	-59.27	390.23	5.71	-53.56
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300010807016	0	39	-1.0	-51.02	340.29	2.28	-48.74
CCC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807017	0	34	-1.0	-49.85	306.97	3.17	-46.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010807018	0	44	-1.0	-51.10	363.26	6.06	-45.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010807019	0	32	-1.0	-51.22	294.67	5.41	-45.81
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Cl)=N1	REAL300010807020	0	34	-1.0	-53.85	300.18	3.64	-50.21
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807021	0	37	-1.0	-52.97	321.43	4.85	-48.12
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010807022	0	39	-1.0	-49.46	336.89	6.08	-43.38
CSC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010807023	0	36	-1.0	-45.92	333.29	6.09	-39.83
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807024	0	34	-1.0	-48.78	316.06	4.95	-43.83
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807025	0	42	-1.0	-59.83	361.63	1.15	-58.68
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300010807026	0	35	-1.0	-49.35	317.61	2.52	-46.83
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807027	0	37	-1.0	-48.31	319.02	5.01	-43.30
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010807028	0	41	-1.0	-56.99	352.68	5.53	-51.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010807029	0	47	-1.0	-51.26	391.84	5.05	-46.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010807030	0	31	-1.0	-45.26	299.26	4.38	-40.88
CCC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807032	0	41	-1.0	-51.45	345.27	6.78	-44.67
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807033	0	38	-1.0	-51.51	329.10	6.05	-45.46
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807034	0	35	-1.0	-43.99	307.61	5.74	-38.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300010807035	0	36	-1.0	-56.08	309.05	4.39	-51.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010807036	0	32	-1.0	-51.20	299.83	5.13	-46.07
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807037	0	40	-1.0	-54.05	331.22	5.08	-48.97
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300010807038	0	59	-1.0	-50.43	465.39	9.12	-41.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010807039	0	41	-1.0	-48.76	338.25	6.05	-42.71
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807040	0	35	-1.0	-47.22	290.97	5.29	-41.93
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807041	0	46	-1.0	-50.69	393.67	5.71	-44.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C1	REAL300010807042	0	33	-1.0	-52.77	304.05	5.27	-47.50
CC1=NC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CS1	REAL300010807043	0	34	-1.0	-52.62	309.41	2.99	-49.63
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010807044	0	35	-1.0	-53.32	320.72	3.65	-49.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010807045	0	38	-1.0	-46.55	345.28	7.50	-39.05
COC(=O)CCCCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807046	0	43	-1.0	-56.15	362.42	5.47	-50.68
CN1N=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CN=C21	REAL300010807047	0	37	-1.0	-51.66	320.62	3.66	-48.00
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807048	0	40	-1.0	-49.30	343.45	2.74	-46.56
CCC(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809001	0	44	-1.0	-58.26	347.81	8.49	-49.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010809002	0	43	-1.0	-49.05	363.73	2.87	-46.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010809003	0	36	-1.0	-51.86	302.39	1.77	-50.09
CC(=O)NCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809004	0	42	-1.0	-62.59	351.06	4.92	-57.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010809005	0	34	-1.0	-47.33	295.98	5.68	-41.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010809006	0	32	-1.0	-45.42	285.85	6.07	-39.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300010809007	0	29	-1.0	-54.06	279.58	5.67	-48.39
CCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809008	0	41	-1.0	-58.48	333.55	8.12	-50.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010809009	0	32	-1.0	-48.57	288.80	5.66	-42.91
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300010809010	0	36	-1.0	-51.07	316.56	4.93	-46.14
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809011	0	43	-1.0	-66.65	344.10	3.75	-62.90
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010809012	0	32	-1.0	-50.82	278.99	4.96	-45.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010809013	0	32	-1.0	-46.31	300.11	5.99	-40.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1Cl	REAL300010809014	0	32	-1.0	-53.74	268.00	5.04	-48.70
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(C(=O)OC)=C1	REAL300010809015	0	44	-1.0	-52.92	376.05	6.28	-46.64
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809016	0	44	-1.0	-70.65	369.21	8.06	-62.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010809017	0	32	-1.0	-48.28	275.72	5.20	-43.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010809018	0	31	-1.0	-46.47	278.52	3.59	-42.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010809019	0	32	-1.0	-50.09	282.66	5.30	-44.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010809020	0	35	-1.0	-43.96	308.98	7.48	-36.48
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300010809021	0	35	-1.0	-47.72	306.03	6.16	-41.56
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1NC(C)=O	REAL300010809022	0	43	-1.0	-58.97	350.33	3.31	-55.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010809023	0	36	-1.0	-54.40	315.15	5.69	-48.71
CC1=C(C)C(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1C	REAL300010809024	0	47	-1.0	-51.34	337.35	7.77	-43.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010809025	0	41	-1.0	-51.38	329.38	4.93	-46.45
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809026	0	37	-1.0	-52.88	311.18	6.20	-46.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)S1	REAL300010809027	0	29	-1.0	-54.11	284.21	5.78	-48.33
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1Cl	REAL300010809028	0	38	-1.0	-49.09	321.04	7.20	-41.89
COC1=CC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809029	0	36	-1.0	-41.16	311.39	5.46	-35.70
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809030	0	50	-1.0	-44.21	364.76	8.64	-35.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010809031	0	48	-1.0	-58.02	371.00	9.71	-48.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010809032	0	35	-1.0	-54.78	307.88	6.89	-47.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010809033	0	42	-1.0	-51.52	329.35	7.45	-44.07
COC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809034	0	40	-1.0	-44.79	319.56	4.13	-40.66
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300010809035	0	40	-1.0	-50.80	325.27	4.19	-46.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010809036	0	42	-1.0	-58.30	366.45	5.49	-52.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010809037	0	39	-1.0	-44.30	310.66	7.31	-36.99
CC(=O)NCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809038	0	39	-1.0	-53.98	340.85	3.14	-50.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010809039	0	40	-1.0	-45.48	321.72	7.32	-38.16
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010809040	0	32	-1.0	-42.31	274.68	4.95	-37.36
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809041	0	42	-1.0	-50.20	327.90	4.36	-45.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010809042	0	29	-1.0	-46.59	278.94	4.71	-41.88
CC(C)CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809043	0	47	-1.0	-58.66	372.59	9.41	-49.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010809044	0	38	-1.0	-47.65	298.89	6.97	-40.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010809045	0	42	-1.0	-46.14	341.59	8.33	-37.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010809046	0	35	-1.0	-48.48	306.51	6.00	-42.48
CC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809047	0	35	-1.0	-37.99	277.93	5.33	-32.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010809048	0	32	-1.0	-40.55	302.50	6.57	-33.98
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809049	0	47	-1.0	-58.17	359.58	8.69	-49.48
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809050	0	35	-1.0	-41.45	296.85	6.34	-35.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010809051	0	32	-1.0	-44.29	285.61	5.14	-39.15
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809052	0	35	-1.0	-54.03	287.33	5.45	-48.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010809053	0	32	-1.0	-46.83	293.42	5.51	-41.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010809054	0	35	-1.0	-50.93	305.28	5.85	-45.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010809055	0	32	-1.0	-42.73	292.19	5.51	-37.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010809056	0	32	-1.0	-39.61	277.95	5.26	-34.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010809057	0	33	-1.0	-57.19	281.19	3.75	-53.44
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300010809058	0	35	-1.0	-47.92	293.37	5.65	-42.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010809059	0	35	-1.0	-46.20	310.86	6.03	-40.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010809060	0	37	-1.0	-60.94	299.75	6.09	-54.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010809061	0	35	-1.0	-52.49	295.67	6.20	-46.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010809062	0	43	-1.0	-58.94	374.69	9.33	-49.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010809063	0	32	-1.0	-51.76	284.93	5.46	-46.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010809064	0	32	-1.0	-48.74	278.24	5.27	-43.47
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809065	0	38	-1.0	-49.42	315.61	5.49	-43.93
CC1=CC=C(F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809066	0	35	-1.0	-54.14	287.97	5.47	-48.67
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809067	0	36	-1.0	-51.32	302.26	4.35	-46.97
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809068	0	35	-1.0	-41.62	288.10	5.94	-35.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010809069	0	32	-1.0	-42.26	282.14	5.28	-36.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010809070	0	32	-1.0	-45.85	293.56	5.64	-40.21
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)C=C1	REAL300010809071	0	47	-1.0	-44.85	386.40	7.07	-37.78
CC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809072	0	39	-1.0	-52.11	335.77	4.47	-47.64
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010809073	0	48	-1.0	-52.15	365.79	7.75	-44.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010809074	0	36	-1.0	-43.53	311.86	6.06	-37.47
CC1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1Cl	REAL300010809075	0	35	-1.0	-52.65	306.92	6.77	-45.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010809076	0	35	-1.0	-41.36	323.11	6.62	-34.74
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010809077	0	42	-1.0	-53.35	326.47	6.15	-47.20
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(N)=O	REAL300010809078	0	39	-1.0	-50.49	316.99	2.44	-48.05
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(N)=O	REAL300010809079	0	40	-1.0	-52.82	328.35	2.36	-50.46
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809080	0	37	-1.0	-48.34	305.57	6.28	-42.06
CC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809081	0	39	-1.0	-61.11	321.68	3.70	-57.41
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809082	0	37	-1.0	-53.21	298.65	6.78	-46.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300010809083	0	32	-1.0	-63.81	288.47	5.87	-57.94
CC1=CC(F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809084	0	35	-1.0	-48.72	294.46	5.69	-43.03
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809085	0	38	-1.0	-49.25	338.16	6.12	-43.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010809086	0	41	-1.0	-55.94	352.43	3.12	-52.82
CC(=O)NC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300010809087	0	39	-1.0	-55.28	327.16	4.00	-51.28
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C21	REAL300010809088	0	46	-1.0	-66.32	359.52	6.60	-59.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCS(C)(=O)=O	REAL300010809089	0	37	-1.0	-50.93	316.41	0.95	-49.98
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1C	REAL300010809090	0	42	-1.0	-42.60	313.29	4.93	-37.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010809091	0	32	-1.0	-39.81	279.04	5.43	-34.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010809092	0	43	-1.0	-40.99	348.43	4.90	-36.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010809093	0	35	-1.0	-41.09	312.30	6.30	-34.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010809094	0	32	-1.0	-45.84	302.68	6.05	-39.79
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809095	0	45	-1.0	-51.29	370.80	4.71	-46.58
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809096	0	46	-1.0	-47.65	372.28	3.84	-43.81
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809097	0	40	-1.0	-50.60	321.21	7.16	-43.44
CC(C)CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809098	0	44	-1.0	-58.79	350.29	8.58	-50.21
COCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809099	0	42	-1.0	-58.75	345.70	6.41	-52.34
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809100	0	35	-1.0	-37.94	288.28	5.79	-32.15
CC(C)CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809101	0	48	-1.0	-44.15	379.32	7.24	-36.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010809102	0	46	-1.0	-57.77	363.28	8.08	-49.69
CC(C)COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809103	0	45	-1.0	-44.41	360.35	6.63	-37.78
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809104	0	42	-1.0	-44.36	340.26	5.94	-38.42
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809105	0	36	-1.0	-51.08	312.18	4.81	-46.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010809106	0	36	-1.0	-49.81	321.82	5.10	-44.71
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809107	0	39	-1.0	-51.16	316.22	5.00	-46.16
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300010809108	0	45	-1.0	-49.79	355.93	6.61	-43.18
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300010809109	0	39	-1.0	-52.81	306.80	4.93	-47.88
COCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809110	0	43	-1.0	-46.71	352.38	4.41	-42.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1F	REAL300010809111	0	35	-1.0	-45.22	296.32	5.70	-39.52
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809112	0	43	-1.0	-60.83	357.33	4.65	-56.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010809113	0	47	-1.0	-48.92	372.00	4.34	-44.58
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Br)=C1	REAL300010809114	0	35	-1.0	-52.22	292.67	5.90	-46.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010809115	0	38	-1.0	-58.15	328.90	2.56	-55.59
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809116	0	38	-1.0	-69.00	331.19	7.92	-61.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010809117	0	37	-1.0	-51.19	307.52	5.37	-45.82
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809118	0	36	-1.0	-51.78	304.28	5.41	-46.37
CC1=CC(C#N)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809119	0	36	-1.0	-50.22	292.88	5.63	-44.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010809120	0	33	-1.0	-51.64	286.66	5.16	-46.48
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010809121	0	36	-1.0	-54.54	309.69	5.79	-48.75
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1OC	REAL300010809122	0	42	-1.0	-53.70	348.75	5.66	-48.04
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809123	0	41	-1.0	-49.56	337.64	6.21	-43.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010809124	0	41	-1.0	-68.76	337.84	5.97	-62.79
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300010809125	0	41	-1.0	-46.84	330.17	6.07	-40.77
CCN1N=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300010809126	0	41	-1.0	-51.82	325.05	4.85	-46.97
CC(C)N1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809127	0	38	-1.0	-44.30	306.79	4.36	-39.94
CC(C)CN1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809128	0	41	-1.0	-57.62	331.15	5.94	-51.68
CC(C)N1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809129	0	38	-1.0	-54.37	311.99	5.37	-49.00
CC(C)C1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1	REAL300010809130	0	38	-1.0	-57.72	310.44	3.41	-54.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010809131	0	44	-1.0	-60.01	323.15	8.57	-51.44
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010809132	0	45	-1.0	-56.74	361.34	7.39	-49.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010809133	0	40	-1.0	-58.78	332.86	4.35	-54.43
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1Cl	REAL300010809134	0	39	-1.0	-54.84	344.40	4.75	-50.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010809135	0	39	-1.0	-53.25	331.61	6.24	-47.01
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1F	REAL300010809136	0	38	-1.0	-53.65	328.64	5.56	-48.09
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Cl)=C1Cl	REAL300010809137	0	36	-1.0	-52.38	311.92	4.86	-47.52
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010809138	0	42	-1.0	-49.14	350.35	6.66	-42.48
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(Br)O1	REAL300010809139	0	35	-1.0	-37.35	317.15	3.84	-33.51
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C(Br)S1	REAL300010809140	0	32	-1.0	-47.14	285.32	5.06	-42.08
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1	REAL300010809141	0	36	-1.0	-56.16	310.04	3.30	-52.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010809142	0	33	-1.0	-47.28	302.75	5.79	-41.49
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300010809143	0	40	-1.0	-55.16	311.09	7.20	-47.96
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809144	0	38	-1.0	-42.73	324.25	5.53	-37.20
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809145	0	41	-1.0	-47.91	332.00	2.60	-45.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010809146	0	36	-1.0	-43.91	311.83	7.22	-36.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010809147	0	33	-1.0	-47.51	302.78	5.78	-41.73
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809148	0	48	-1.0	-60.28	381.03	7.64	-52.64
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010809149	0	43	-1.0	-57.56	354.59	4.96	-52.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010809150	0	44	-1.0	-59.96	378.16	3.74	-56.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809151	0	40	-1.0	-49.26	344.01	1.08	-48.18
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809152	0	42	-1.0	-59.20	362.64	3.91	-55.29
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)O1	REAL300010809153	0	35	-1.0	-51.72	306.64	5.24	-46.48
COC(=O)C1=C(C)OC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809154	0	38	-1.0	-48.96	326.14	4.49	-44.47
CC1=NC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809155	0	34	-1.0	-57.80	294.99	4.39	-53.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010809156	0	34	-1.0	-70.19	277.43	6.52	-63.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010809157	0	35	-1.0	-40.15	324.48	6.68	-33.47
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C)N1	REAL300010809158	0	45	-1.0	-53.63	362.51	5.66	-47.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010809159	0	32	-1.0	-55.91	283.33	6.55	-49.36
CC1=NC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)S2)=CS1	REAL300010809160	0	38	-1.0	-57.07	347.12	6.51	-50.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010809161	0	52	-1.0	-57.03	403.75	9.52	-47.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010809162	0	42	-1.0	-58.66	363.89	4.53	-54.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(I)=C1	REAL300010809163	0	32	-1.0	-50.20	294.41	6.06	-44.14
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809164	0	41	-1.0	-41.25	325.98	5.71	-35.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010809165	0	34	-1.0	-69.80	304.86	7.91	-61.89
COC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300010809166	0	40	-1.0	-48.88	322.25	4.03	-44.85
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300010809167	0	43	-1.0	-41.96	328.52	4.53	-37.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010809168	0	34	-1.0	-48.83	307.23	6.98	-41.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010809169	0	35	-1.0	-54.25	306.05	5.89	-48.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010809170	0	33	-1.0	-55.36	277.03	4.85	-50.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010809171	0	33	-1.0	-55.46	287.51	5.25	-50.21
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300010809172	0	35	-1.0	-41.50	300.88	6.43	-35.07
CC1=C(F)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809173	0	35	-1.0	-50.78	275.21	5.38	-45.40
COC(=O)CN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809174	0	38	-1.0	-55.60	326.00	3.73	-51.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010809175	0	38	-1.0	-49.21	312.02	7.28	-41.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010809176	0	37	-1.0	-41.21	320.49	7.63	-33.58
CC1=C(Br)SC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809177	0	32	-1.0	-47.86	299.81	5.27	-42.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010809178	0	36	-1.0	-64.72	311.41	7.07	-57.65
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(F)=C1F	REAL300010809179	0	38	-1.0	-46.97	332.25	5.69	-41.28
CC1=NC2=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300010809180	0	40	-1.0	-51.64	321.95	6.31	-45.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010809181	0	43	-1.0	-51.10	343.82	3.51	-47.59
CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1Br	REAL300010809182	0	35	-1.0	-45.06	289.94	5.93	-39.13
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809183	0	38	-1.0	-69.92	327.97	6.85	-63.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010809184	0	40	-1.0	-50.53	324.62	2.74	-47.79
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300010809185	0	38	-1.0	-47.70	322.06	5.72	-41.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809186	0	38	-1.0	-49.98	315.49	6.65	-43.33
COCCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809187	0	39	-1.0	-57.22	327.37	3.47	-53.75
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010809188	0	45	-1.0	-47.01	349.60	7.27	-39.74
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809189	0	42	-1.0	-44.98	331.40	6.35	-38.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010809190	0	37	-1.0	-53.40	313.46	5.57	-47.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010809191	0	39	-1.0	-51.86	327.21	6.08	-45.78
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010809192	0	34	-1.0	-47.00	311.04	6.09	-40.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010809193	0	33	-1.0	-54.54	278.13	4.96	-49.58
CCOCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809194	0	46	-1.0	-46.71	374.24	5.37	-41.34
CCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809195	0	48	-1.0	-44.32	383.25	7.50	-36.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010809196	0	34	-1.0	-56.76	290.54	6.48	-50.28
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300010809197	0	38	-1.0	-48.93	325.88	5.65	-43.28
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300010809198	0	38	-1.0	-39.61	335.95	6.21	-33.40
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809199	0	42	-1.0	-44.65	344.75	5.49	-39.16
COC(=O)C1=CSC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809200	0	35	-1.0	-56.78	319.00	5.68	-51.10
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809201	0	44	-1.0	-41.97	343.20	6.63	-35.34
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C	REAL300010809202	0	41	-1.0	-49.51	337.47	6.13	-43.38
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809203	0	38	-1.0	-49.08	323.71	5.58	-43.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010809204	0	42	-1.0	-59.05	315.71	8.05	-51.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010809205	0	38	-1.0	-47.83	315.62	6.75	-41.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010809206	0	31	-1.0	-46.39	282.97	3.76	-42.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010809207	0	36	-1.0	-40.75	323.78	6.38	-34.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010809208	0	32	-1.0	-46.04	293.56	5.64	-40.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010809209	0	39	-1.0	-63.19	329.73	3.26	-59.93
CC1=C(Br)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809210	0	35	-1.0	-51.62	294.22	6.17	-45.45
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300010809211	0	36	-1.0	-47.86	316.57	4.93	-42.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010809212	0	43	-1.0	-45.20	342.57	6.65	-38.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010809213	0	40	-1.0	-53.04	345.58	1.78	-51.26
CCC(=O)NCC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1OC	REAL300010809214	0	49	-1.0	-54.81	397.66	4.10	-50.71
COC1=CC=C(Br)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809215	0	36	-1.0	-43.52	302.12	4.67	-38.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809216	0	41	-1.0	-59.31	348.83	3.38	-55.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010809217	0	34	-1.0	-47.11	314.81	4.89	-42.22
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809218	0	37	-1.0	-58.67	308.50	5.44	-53.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010809219	0	33	-1.0	-47.88	308.66	5.99	-41.89
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300010809220	0	39	-1.0	-50.33	338.31	5.87	-44.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010809221	0	37	-1.0	-38.51	315.83	0.75	-37.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010809222	0	46	-1.0	-49.47	379.54	6.92	-42.55
COC(=O)CC1(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300010809223	0	41	-1.0	-58.90	338.47	6.62	-52.28
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809224	0	37	-1.0	-67.63	328.50	5.96	-61.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010809225	0	37	-1.0	-50.64	302.49	4.27	-46.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010809226	0	40	-1.0	-51.44	330.90	6.20	-45.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010809227	0	38	-1.0	-45.00	306.08	1.15	-43.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010809228	0	42	-1.0	-53.41	346.34	5.91	-47.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010809229	0	37	-1.0	-48.75	315.69	5.09	-43.66
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300010809230	0	42	-1.0	-51.09	323.48	5.47	-45.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809231	0	40	-1.0	-57.88	343.27	1.13	-56.75
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809232	0	41	-1.0	-62.88	332.20	6.40	-56.48
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010809233	0	36	-1.0	-52.28	296.66	5.07	-47.21
CSC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809234	0	36	-1.0	-58.18	309.36	6.92	-51.26
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809235	0	44	-1.0	-44.22	365.53	7.29	-36.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010809236	0	38	-1.0	-42.03	330.07	6.69	-35.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010809237	0	31	-1.0	-48.79	280.14	3.62	-45.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010809238	0	38	-1.0	-54.57	299.83	4.52	-50.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010809239	0	37	-1.0	-45.20	294.45	5.11	-40.09
CC1=CC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809240	0	35	-1.0	-37.87	292.83	5.89	-31.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010809241	0	40	-1.0	-52.51	326.46	4.14	-48.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010809242	0	48	-1.0	-65.57	385.20	6.80	-58.77
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OCC	REAL300010809243	0	46	-1.0	-47.04	363.82	6.29	-40.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010809244	0	38	-1.0	-59.45	311.73	3.76	-55.69
CC1=NN(C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809245	0	38	-1.0	-51.77	303.08	4.01	-47.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010809246	0	37	-1.0	-45.79	321.60	-0.13	-45.92
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010809247	0	43	-1.0	-66.98	347.25	7.00	-59.98
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300010809248	0	46	-1.0	-60.04	358.45	6.52	-53.52
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300010809249	0	40	-1.0	-37.02	316.13	6.60	-30.42
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809250	0	38	-1.0	-44.80	322.17	5.57	-39.23
CC(=O)N1CCC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300010809251	0	43	-1.0	-49.65	344.37	6.45	-43.20
CNC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809252	0	39	-1.0	-49.31	323.85	3.19	-46.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010809253	0	36	-1.0	-62.47	303.70	2.68	-59.79
CC(=O)N1C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2CC1C	REAL300010809254	0	46	-1.0	-58.68	361.51	6.53	-52.15
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=CS1	REAL300010809255	0	35	-1.0	-71.66	308.63	6.03	-65.63
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809256	0	35	-1.0	-54.78	319.01	5.79	-48.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010809257	0	36	-1.0	-49.98	323.81	6.18	-43.80
CCOC(=O)C1=CNN=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809258	0	38	-1.0	-62.25	320.30	3.47	-58.78
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010809259	0	38	-1.0	-59.29	324.40	2.90	-56.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010809260	0	38	-1.0	-51.20	317.28	2.20	-49.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010809261	0	38	-1.0	-51.66	318.75	2.28	-49.38
CC1=CC2=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=C2N=C1	REAL300010809262	0	40	-1.0	-60.70	320.23	6.73	-53.97
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300010809263	0	38	-1.0	-73.67	317.63	6.69	-66.98
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809264	0	36	-1.0	-51.34	304.13	5.34	-46.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010809265	0	36	-1.0	-44.79	306.61	5.31	-39.48
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010809266	0	37	-1.0	-58.20	320.90	-0.09	-58.29
COC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809267	0	38	-1.0	-56.63	321.42	5.61	-51.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010809268	0	44	-1.0	-55.73	375.55	2.82	-52.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010809269	0	37	-1.0	-41.43	319.22	6.34	-35.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010809270	0	35	-1.0	-41.32	297.41	5.74	-35.58
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Cl)=C1	REAL300010809271	0	35	-1.0	-52.71	288.92	5.72	-46.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010809272	0	38	-1.0	-53.84	322.67	1.38	-52.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010809273	0	38	-1.0	-65.44	329.86	3.42	-62.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010809274	0	39	-1.0	-51.38	332.48	4.22	-47.16
CC1=CC(F)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809275	0	35	-1.0	-48.26	276.22	5.40	-42.86
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300010809276	0	40	-1.0	-51.47	313.03	5.80	-45.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010809277	0	38	-1.0	-51.85	320.76	4.91	-46.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010809278	0	37	-1.0	-52.61	314.86	6.50	-46.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809279	0	40	-1.0	-76.27	327.94	8.61	-67.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010809280	0	36	-1.0	-49.34	312.62	4.75	-44.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010809281	0	43	-1.0	-59.84	364.10	3.87	-55.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010809282	0	32	-1.0	-49.08	274.16	5.08	-44.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010809283	0	34	-1.0	-50.20	300.52	7.60	-42.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010809284	0	44	-1.0	-57.12	352.56	4.29	-52.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010809285	0	42	-1.0	-63.73	339.12	9.71	-54.02
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809286	0	41	-1.0	-55.87	343.23	6.56	-49.31
CCOC(=O)N1CCC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300010809287	0	46	-1.0	-42.81	356.76	4.69	-38.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010809288	0	32	-1.0	-41.42	284.13	5.43	-35.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010809289	0	32	-1.0	-41.39	288.70	5.54	-35.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010809290	0	34	-1.0	-53.58	297.36	6.57	-47.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010809291	0	38	-1.0	-51.98	312.57	7.23	-44.75
CC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809292	0	39	-1.0	-66.64	325.35	4.79	-61.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809293	0	37	-1.0	-37.06	299.53	5.75	-31.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010809294	0	34	-1.0	-78.80	288.64	7.38	-71.42
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809295	0	39	-1.0	-41.37	331.28	6.31	-35.06
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809296	0	39	-1.0	-58.24	320.50	6.12	-52.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010809297	0	32	-1.0	-49.70	272.08	4.87	-44.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010809298	0	32	-1.0	-46.34	279.47	5.09	-41.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010809299	0	38	-1.0	-59.13	312.27	5.07	-54.06
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300010809300	0	41	-1.0	-44.63	309.81	6.95	-37.68
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809301	0	47	-1.0	-41.01	347.50	7.40	-33.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010809302	0	32	-1.0	-45.96	298.46	5.95	-40.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010809303	0	32	-1.0	-46.29	279.25	5.09	-41.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010809304	0	32	-1.0	-39.82	286.26	5.40	-34.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010809305	0	35	-1.0	-51.07	305.40	5.96	-45.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010809306	0	35	-1.0	-66.06	297.08	7.25	-58.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010809307	0	35	-1.0	-45.94	318.44	6.39	-39.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010809308	0	32	-1.0	-50.49	283.36	5.47	-45.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010809309	0	35	-1.0	-49.89	306.82	6.05	-43.84
CC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809310	0	37	-1.0	-47.91	307.88	5.30	-42.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010809311	0	32	-1.0	-46.11	289.14	5.54	-40.57
CC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809312	0	37	-1.0	-60.70	307.12	5.34	-55.36
CC1=NC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=CO1	REAL300010809313	0	41	-1.0	-63.23	345.59	4.96	-58.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010809314	0	31	-1.0	-38.10	287.62	4.34	-33.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010809315	0	35	-1.0	-52.47	296.41	5.35	-47.12
COC1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809316	0	36	-1.0	-43.45	299.00	4.18	-39.27
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C2S1	REAL300010809317	0	41	-1.0	-55.47	351.77	7.55	-47.92
COC(=O)CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809318	0	41	-1.0	-52.99	344.38	6.36	-46.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010809319	0	39	-1.0	-60.26	316.51	7.95	-52.31
CC1=CC=C(N2C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=N2)C=C1	REAL300010809320	0	42	-1.0	-51.53	348.61	6.76	-44.77
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C21	REAL300010809321	0	43	-1.0	-63.47	345.47	5.98	-57.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010809322	0	33	-1.0	-52.24	285.27	5.23	-47.01
CC1=CC=C(C#N)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809323	0	36	-1.0	-38.18	292.06	5.46	-32.72
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(=O)N(C)C	REAL300010809324	0	46	-1.0	-54.02	366.99	5.07	-48.95
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010809325	0	40	-1.0	-48.56	340.41	6.07	-42.49
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300010809326	0	37	-1.0	-46.42	310.73	6.12	-40.30
COC(=O)C1=COC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809327	0	35	-1.0	-51.28	306.50	3.70	-47.58
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809328	0	43	-1.0	-53.61	354.39	5.71	-47.90
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010809329	0	34	-1.0	-46.30	297.15	4.75	-41.55
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809330	0	42	-1.0	-64.41	337.80	6.13	-58.28
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC=C1	REAL300010809331	0	33	-1.0	-56.16	287.00	3.96	-52.20
CC(=O)NC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C	REAL300010809332	0	42	-1.0	-54.44	335.01	5.09	-49.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010809333	0	44	-1.0	-52.79	340.76	5.50	-47.29
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN=C1Cl	REAL300010809334	0	34	-1.0	-46.38	297.30	4.17	-42.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010809335	0	38	-1.0	-52.53	318.04	4.02	-48.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010809336	0	41	-1.0	-57.58	340.61	7.57	-50.01
CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C#N	REAL300010809337	0	36	-1.0	-61.25	290.45	5.29	-55.96
COC1=CC(OC)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809338	0	40	-1.0	-52.26	325.52	3.59	-48.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010809339	0	38	-1.0	-56.18	314.92	6.30	-49.88
CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1CC	REAL300010809340	0	44	-1.0	-44.22	342.17	7.96	-36.26
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809341	0	40	-1.0	-40.62	316.26	6.93	-33.69
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C)O1	REAL300010809342	0	38	-1.0	-38.27	315.35	4.01	-34.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010809343	0	33	-1.0	-37.75	284.58	2.89	-34.86
COC(=O)C1=NSC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809344	0	34	-1.0	-51.10	301.05	4.29	-46.81
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(C)=C1F	REAL300010809345	0	38	-1.0	-47.64	313.59	6.31	-41.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010809346	0	40	-1.0	-59.30	326.75	3.45	-55.85
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1C	REAL300010809347	0	39	-1.0	-49.89	323.26	5.40	-44.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010809348	0	32	-1.0	-45.88	289.68	5.56	-40.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010809349	0	31	-1.0	-46.60	278.40	3.66	-42.94
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809350	0	43	-1.0	-47.09	349.87	6.74	-40.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010809351	0	35	-1.0	-41.63	313.79	6.21	-35.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010809352	0	37	-1.0	-53.33	308.76	1.12	-52.21
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809353	0	35	-1.0	-49.94	294.07	6.13	-43.81
CNC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1C	REAL300010809354	0	40	-1.0	-53.38	330.65	2.61	-50.77
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300010809355	0	42	-1.0	-44.97	317.80	5.56	-39.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010809356	0	40	-1.0	-55.17	327.55	4.20	-50.97
COC(=O)C1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809357	0	41	-1.0	-43.47	345.81	6.34	-37.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010809358	0	43	-1.0	-52.33	342.00	5.12	-47.21
COC(=O)C1=CC=CC(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809359	0	41	-1.0	-46.45	345.82	6.33	-40.12
CCOC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)O1	REAL300010809360	0	38	-1.0	-52.09	328.84	6.16	-45.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010809361	0	43	-1.0	-51.31	350.75	9.09	-42.22
COC(=O)COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809362	0	42	-1.0	-49.71	353.26	5.84	-43.87
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809363	0	45	-1.0	-60.51	375.97	6.97	-53.54
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809364	0	42	-1.0	-52.89	326.26	5.63	-47.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010809365	0	36	-1.0	-59.28	304.90	5.35	-53.93
CCOC(=O)CCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809366	0	40	-1.0	-44.10	330.10	5.13	-38.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010809367	0	35	-1.0	-54.96	295.65	6.45	-48.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010809368	0	34	-1.0	-69.44	309.42	8.01	-61.43
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809369	0	37	-1.0	-42.84	290.14	6.87	-35.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010809370	0	34	-1.0	-47.01	300.06	5.87	-41.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)C=CS1	REAL300010809371	0	29	-1.0	-49.73	275.19	4.72	-45.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010809372	0	36	-1.0	-43.47	291.50	5.01	-38.46
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300010809373	0	40	-1.0	-52.00	311.70	6.06	-45.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010809374	0	34	-1.0	-41.27	302.90	4.28	-36.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010809375	0	40	-1.0	-51.75	328.69	4.13	-47.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010809376	0	37	-1.0	-49.25	293.72	5.18	-44.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010809377	0	31	-1.0	-47.15	284.49	3.78	-43.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010809378	0	34	-1.0	-48.09	293.90	5.47	-42.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010809379	0	34	-1.0	-46.66	311.01	6.08	-40.58
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809380	0	41	-1.0	-56.99	346.47	3.48	-53.51
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300010809381	0	37	-1.0	-53.28	309.58	5.37	-47.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010809382	0	34	-1.0	-56.41	287.95	6.45	-49.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010809383	0	34	-1.0	-53.25	304.45	6.72	-46.53
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010809384	0	39	-1.0	-45.25	338.32	5.60	-39.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010809385	0	34	-1.0	-50.16	305.09	7.71	-42.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010809386	0	46	-1.0	-59.21	380.42	9.19	-50.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010809387	0	40	-1.0	-60.34	339.51	1.55	-58.79
CCC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809388	0	40	-1.0	-60.46	329.66	6.25	-54.21
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300010809389	0	41	-1.0	-52.23	343.20	6.07	-46.16
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010809390	0	42	-1.0	-47.31	348.16	6.85	-40.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010809391	0	40	-1.0	-48.79	341.33	1.64	-47.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010809392	0	35	-1.0	-42.29	297.60	5.72	-36.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010809393	0	38	-1.0	-46.91	330.21	2.95	-43.96
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(F)C=C1F	REAL300010809394	0	35	-1.0	-46.81	290.31	5.54	-41.27
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809395	0	39	-1.0	-53.08	327.66	6.01	-47.07
CC(C)N1N=CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300010809396	0	44	-1.0	-51.25	357.26	6.52	-44.73
CC1=CN(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2F)N=C1	REAL300010809397	0	42	-1.0	-49.28	350.13	6.83	-42.45
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809398	0	39	-1.0	-57.81	343.42	5.80	-52.01
CCS(=O)(=O)NCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809399	0	39	-1.0	-49.70	331.29	-0.33	-50.03
CC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809400	0	35	-1.0	-50.60	293.13	5.52	-45.08
CC1=CC(Cl)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809401	0	37	-1.0	-38.49	315.90	6.48	-32.01
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300010809402	0	38	-1.0	-49.94	319.37	6.26	-43.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010809403	0	29	-1.0	-46.50	283.57	4.81	-41.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010809404	0	44	-1.0	-46.91	361.13	6.89	-40.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010809405	0	32	-1.0	-49.54	274.48	4.94	-44.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010809406	0	32	-1.0	-42.22	289.58	5.51	-36.71
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300010809407	0	38	-1.0	-48.93	321.07	6.48	-42.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010809408	0	38	-1.0	-50.36	339.45	5.71	-44.65
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C12	REAL300010809409	0	40	-1.0	-49.03	332.97	4.69	-44.34
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809410	0	39	-1.0	-45.69	336.09	5.51	-40.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010809411	0	35	-1.0	-41.44	317.62	6.33	-35.11
CC1=NOC2=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C12	REAL300010809412	0	36	-1.0	-46.85	304.91	2.26	-44.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010809413	0	41	-1.0	-61.11	350.68	8.74	-52.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010809414	0	34	-1.0	-49.19	299.38	5.89	-43.30
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809415	0	38	-1.0	-68.77	322.23	7.41	-61.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010809416	0	35	-1.0	-44.17	304.49	6.11	-38.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010809417	0	44	-1.0	-69.92	365.76	4.40	-65.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010809418	0	39	-1.0	-41.46	337.00	5.47	-35.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010809419	0	32	-1.0	-39.75	290.82	5.51	-34.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010809420	0	40	-1.0	-49.92	336.00	2.44	-47.48
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300010809421	0	41	-1.0	-49.98	347.74	6.58	-43.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010809422	0	40	-1.0	-54.99	328.24	6.39	-48.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010809423	0	35	-1.0	-48.86	322.18	6.92	-41.94
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300010809424	0	38	-1.0	-49.36	330.94	7.75	-41.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010809425	0	35	-1.0	-51.88	310.67	6.55	-45.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010809426	0	38	-1.0	-54.89	315.47	7.85	-47.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010809427	0	38	-1.0	-48.64	316.12	7.52	-41.12
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C2O1	REAL300010809428	0	46	-1.0	-48.03	378.61	7.63	-40.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010809429	0	38	-1.0	-53.73	331.64	2.52	-51.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010809430	0	45	-1.0	-64.15	375.71	7.44	-56.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010809431	0	43	-1.0	-47.79	367.25	2.00	-45.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010809432	0	33	-1.0	-42.47	296.71	5.59	-36.88
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1N(C)C	REAL300010809433	0	43	-1.0	-50.45	341.54	5.62	-44.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(Cl)N1C	REAL300010809434	0	32	-1.0	-49.52	280.34	4.76	-44.76
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809435	0	37	-1.0	-33.50	309.12	6.09	-27.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300010809436	0	32	-1.0	-52.58	286.81	3.79	-48.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010809437	0	35	-1.0	-60.63	298.40	5.34	-55.29
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809438	0	38	-1.0	-51.15	327.79	7.60	-43.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809439	0	44	-1.0	-52.37	332.04	5.01	-47.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010809440	0	37	-1.0	-43.82	296.95	5.18	-38.64
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010809441	0	38	-1.0	-60.19	327.36	2.48	-57.71
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809442	0	40	-1.0	-51.35	323.13	6.67	-44.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010809443	0	35	-1.0	-70.82	290.43	4.65	-66.17
CCC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809444	0	42	-1.0	-52.14	343.75	4.64	-47.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010809445	0	35	-1.0	-43.06	313.05	6.21	-36.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010809446	0	33	-1.0	-56.39	281.51	6.18	-50.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010809447	0	32	-1.0	-39.72	275.93	4.95	-34.77
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809448	0	51	-1.0	-60.03	401.29	8.53	-51.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010809449	0	35	-1.0	-45.91	318.23	6.54	-39.37
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809450	0	39	-1.0	-54.99	336.72	4.34	-50.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010809451	0	40	-1.0	-50.21	323.71	5.57	-44.64
COC1=CC(Cl)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809452	0	36	-1.0	-49.36	313.47	4.91	-44.45
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809453	0	44	-1.0	-41.46	341.98	3.48	-37.98
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CS1	REAL300010809454	0	35	-1.0	-46.15	308.70	4.98	-41.17
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809455	0	41	-1.0	-53.86	349.38	8.21	-45.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010809456	0	43	-1.0	-45.90	373.64	8.29	-37.61
COC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300010809457	0	41	-1.0	-54.96	319.67	5.83	-49.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010809458	0	34	-1.0	-53.28	319.35	7.28	-46.00
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809459	0	36	-1.0	-51.76	325.13	6.76	-45.00
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809460	0	44	-1.0	-51.43	344.64	5.63	-45.80
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010809461	0	34	-1.0	-50.10	294.76	5.64	-44.46
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=C1	REAL300010809462	0	46	-1.0	-57.86	379.91	9.45	-48.41
COC1=CC=C(C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809463	0	39	-1.0	-55.44	309.66	5.52	-49.92
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010809464	0	36	-1.0	-42.33	311.86	6.07	-36.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010809465	0	35	-1.0	-51.14	298.39	2.46	-48.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010809466	0	40	-1.0	-52.42	329.48	5.38	-47.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010809467	0	32	-1.0	-41.21	295.18	6.01	-35.20
COC1=C(C)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809468	0	42	-1.0	-49.86	337.85	5.78	-44.08
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C(=O)OC)S1	REAL300010809469	0	41	-1.0	-53.54	361.73	6.54	-47.00
COCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809470	0	39	-1.0	-53.22	321.70	4.68	-48.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010809471	0	32	-1.0	-52.13	298.73	5.06	-47.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010809472	0	41	-1.0	-45.69	346.16	6.78	-38.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010809473	0	38	-1.0	-54.71	333.06	5.64	-49.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010809474	0	38	-1.0	-49.98	349.77	6.16	-43.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOCC(F)(F)F	REAL300010809475	0	35	-1.0	-43.98	306.38	3.11	-40.87
CC1=NC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2O1	REAL300010809476	0	37	-1.0	-50.94	310.18	2.64	-48.30
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809477	0	44	-1.0	-44.16	318.15	7.72	-36.44
CC1=CC(Br)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809479	0	32	-1.0	-55.93	298.13	6.52	-49.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010809480	0	37	-1.0	-49.81	325.74	5.69	-44.12
CC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809481	0	41	-1.0	-44.42	329.42	6.87	-37.55
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809482	0	37	-1.0	-35.00	303.67	6.12	-28.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010809483	0	36	-1.0	-48.99	319.31	3.85	-45.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010809484	0	37	-1.0	-55.21	310.04	6.66	-48.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010809485	0	40	-1.0	-53.73	332.54	6.80	-46.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010809486	0	40	-1.0	-44.26	340.91	7.07	-37.19
CC1=NN2C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=NC2=C1Cl	REAL300010809487	0	37	-1.0	-46.64	327.51	4.95	-41.69
CCCN1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809488	0	38	-1.0	-55.10	313.94	5.71	-49.39
CCCCCCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(=O)NC1=O	REAL300010809489	0	50	-1.0	-58.22	399.59	5.65	-52.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010809490	0	32	-1.0	-49.83	296.80	6.40	-43.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010809491	0	35	-1.0	-48.43	301.81	5.71	-42.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010809492	0	43	-1.0	-46.40	343.32	6.61	-39.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010809493	0	36	-1.0	-44.93	317.17	6.09	-38.84
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1F	REAL300010809494	0	37	-1.0	-44.45	318.19	6.72	-37.73
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809495	0	38	-1.0	-50.64	317.46	7.17	-43.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010809496	0	46	-1.0	-55.72	372.46	6.14	-49.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010809497	0	35	-1.0	-75.46	297.44	5.35	-70.11
CC1=CC=C(Br)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809498	0	35	-1.0	-52.70	293.11	5.87	-46.83
CC1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809499	0	35	-1.0	-52.97	289.60	5.71	-47.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010809500	0	35	-1.0	-41.43	302.73	5.77	-35.66
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809501	0	43	-1.0	-51.97	367.05	2.67	-49.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010809502	0	31	-1.0	-49.73	283.82	4.38	-45.35
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=CC=C12	REAL300010809503	0	43	-1.0	-44.33	348.20	5.70	-38.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010809504	0	35	-1.0	-40.50	324.44	6.73	-33.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010809505	0	40	-1.0	-52.57	341.89	3.16	-49.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010809506	0	31	-1.0	-45.84	280.38	3.69	-42.15
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)N=C1C	REAL300010809507	0	38	-1.0	-60.90	312.91	6.12	-54.78
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809508	0	37	-1.0	-42.08	311.31	4.10	-37.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010809509	0	35	-1.0	-54.30	324.62	1.71	-52.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010809510	0	40	-1.0	-44.91	318.83	6.02	-38.89
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809511	0	42	-1.0	-57.89	339.00	6.73	-51.16
CC1=C(C)SC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809512	0	35	-1.0	-51.35	299.09	5.35	-46.00
COCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809513	0	39	-1.0	-44.83	322.47	4.64	-40.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010809514	0	41	-1.0	-65.46	357.91	4.57	-60.89
CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1Cl	REAL300010809515	0	35	-1.0	-45.38	285.36	5.66	-39.72
CC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300010809516	0	37	-1.0	-48.09	324.11	6.01	-42.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010809517	0	43	-1.0	-53.26	371.45	3.90	-49.36
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)CC1	REAL300010809518	0	45	-1.0	-60.56	367.50	8.52	-52.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010809519	0	36	-1.0	-43.24	326.14	6.41	-36.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010809520	0	41	-1.0	-62.41	327.35	8.62	-53.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010809521	0	35	-1.0	-49.31	292.69	3.61	-45.70
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300010809522	0	40	-1.0	-59.81	314.44	6.46	-53.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010809523	0	38	-1.0	-42.35	299.96	6.12	-36.23
CC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010809524	0	45	-1.0	-60.27	350.06	5.80	-54.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CCOCC1	REAL300010809525	0	44	-1.0	-42.32	341.11	1.89	-40.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010809526	0	38	-1.0	-39.84	329.18	3.35	-36.49
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809527	0	41	-1.0	-48.61	349.59	6.63	-41.98
COCC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809528	0	39	-1.0	-56.58	308.18	5.53	-51.05
CCC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C(C(=O)OC)O1	REAL300010809529	0	41	-1.0	-52.82	337.14	5.61	-47.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010809530	0	49	-1.0	-58.84	376.04	6.67	-52.17
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809531	0	45	-1.0	-56.70	380.32	7.71	-48.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010809532	0	33	-1.0	-50.66	288.49	5.40	-45.26
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809533	0	36	-1.0	-49.26	315.15	5.49	-43.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010809534	0	39	-1.0	-56.82	311.99	5.03	-51.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010809535	0	37	-1.0	-48.60	314.54	4.97	-43.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010809536	0	52	-1.0	-62.47	384.80	6.50	-55.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010809537	0	46	-1.0	-43.46	360.96	5.23	-38.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010809538	0	43	-1.0	-45.24	366.07	5.80	-39.44
CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1F	REAL300010809539	0	35	-1.0	-48.09	284.96	5.49	-42.60
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809540	0	38	-1.0	-47.75	315.68	2.58	-45.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010809541	0	34	-1.0	-46.19	302.12	4.27	-41.92
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC=N1	REAL300010809542	0	34	-1.0	-57.39	297.75	3.13	-54.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809543	0	38	-1.0	-49.01	327.73	5.70	-43.31
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810001	0	45	-1.0	-44.27	362.78	6.05	-38.22
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810002	0	42	-1.0	-63.70	337.52	5.75	-57.95
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010810003	0	43	-1.0	-54.35	339.50	3.01	-51.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010810004	0	38	-1.0	-49.90	333.53	5.86	-44.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010810005	0	38	-1.0	-52.49	317.26	2.21	-50.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)C=CO1	REAL300010810006	0	29	-1.0	-50.55	268.03	3.64	-46.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2CCCCN12	REAL300010810007	0	39	-1.0	-59.27	313.77	5.97	-53.30
COC1=C(F)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010810008	0	36	-1.0	-51.15	314.15	5.47	-45.68
COC1=CC(F)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010810009	0	36	-1.0	-50.36	302.09	4.21	-46.15
CCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300010810010	0	57	-1.0	-50.29	441.10	9.57	-40.72
COC1=CC(C(C)C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010810011	0	48	-1.0	-54.30	364.63	6.92	-47.38
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810012	0	42	-1.0	-41.01	330.70	6.67	-34.34
CCOCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300010810013	0	55	-1.0	-52.33	431.98	7.44	-44.89
CC1=CSC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810014	0	35	-1.0	-47.94	287.28	5.55	-42.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300010810015	0	40	-1.0	-47.98	321.50	5.40	-42.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010810016	0	40	-1.0	-43.15	331.66	5.07	-38.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010810017	0	40	-1.0	-64.68	337.36	8.10	-56.58
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810018	0	36	-1.0	-52.65	303.83	5.55	-47.10
CC1=C(Br)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C)S1	REAL300010810019	0	35	-1.0	-50.33	307.28	6.19	-44.14
CC1=CC(Cl)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Br)=C1	REAL300010810020	0	35	-1.0	-56.46	307.83	7.54	-48.92
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C21	REAL300010810021	0	49	-1.0	-62.33	375.84	7.02	-55.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010810022	0	38	-1.0	-54.28	320.55	5.61	-48.67
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C21	REAL300010810023	0	46	-1.0	-62.38	365.96	6.57	-55.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC=C1Cl	REAL300010810024	0	29	-1.0	-42.33	262.51	3.83	-38.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=NN1C	REAL300010810025	0	32	-1.0	-43.43	287.48	3.15	-40.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010810026	0	34	-1.0	-46.59	300.80	4.15	-42.44
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810027	0	37	-1.0	-60.13	307.30	4.56	-55.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010810028	0	36	-1.0	-47.01	327.19	5.84	-41.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010810029	0	33	-1.0	-45.39	281.53	3.74	-41.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010810030	0	35	-1.0	-69.10	314.81	5.64	-63.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010810031	0	35	-1.0	-52.10	305.45	6.40	-45.70
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010810032	0	39	-1.0	-47.33	314.26	4.55	-42.78
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1F	REAL300010810033	0	41	-1.0	-47.33	314.86	7.02	-40.31
COC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300010810034	0	40	-1.0	-58.20	325.96	5.91	-52.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010810035	0	41	-1.0	-58.29	334.87	2.20	-56.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010810036	0	33	-1.0	-47.20	307.07	5.87	-41.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300010810037	0	35	-1.0	-46.12	288.14	5.03	-41.09
COC1=CC=C(F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300010810038	0	40	-1.0	-55.44	326.83	5.21	-50.23
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810039	0	35	-1.0	-46.99	325.28	4.34	-42.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010810040	0	45	-1.0	-48.04	341.05	6.05	-41.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010810041	0	36	-1.0	-54.97	317.39	6.91	-48.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010810042	0	39	-1.0	-53.14	305.10	4.27	-48.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010810044	0	36	-1.0	-58.67	308.40	5.48	-53.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010810045	0	36	-1.0	-56.89	315.04	5.31	-51.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010810046	0	35	-1.0	-55.60	295.99	4.18	-51.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010810047	0	37	-1.0	-64.62	306.90	3.50	-61.12
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300010810048	0	38	-1.0	-38.44	307.70	6.19	-32.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010810049	0	38	-1.0	-42.61	335.49	6.06	-36.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010810050	0	35	-1.0	-50.25	290.47	4.93	-45.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010810051	0	42	-1.0	-52.64	325.90	4.90	-47.74
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810052	0	50	-1.0	-41.10	368.83	8.53	-32.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010810053	0	38	-1.0	-50.56	337.78	6.85	-43.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)SC=C1	REAL300010810054	0	29	-1.0	-41.24	260.43	4.18	-37.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010810055	0	42	-1.0	-50.26	340.63	5.61	-44.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010810056	0	36	-1.0	-48.72	305.84	6.89	-41.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010810057	0	43	-1.0	-42.23	357.90	7.55	-34.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010810058	0	45	-1.0	-57.76	357.23	3.32	-54.44
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300010810059	0	41	-1.0	-64.70	331.98	6.18	-58.52
CCCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810060	0	41	-1.0	-51.68	331.02	7.17	-44.51
COC(=O)C1=NN(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810061	0	38	-1.0	-50.31	321.69	4.18	-46.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010810062	0	33	-1.0	-45.62	279.34	4.74	-40.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010810063	0	39	-1.0	-55.34	311.22	5.25	-50.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010810064	0	36	-1.0	-36.42	321.59	6.74	-29.68
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2C=C1	REAL300010810065	0	44	-1.0	-52.52	367.32	7.87	-44.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010810066	0	41	-1.0	-43.93	302.07	4.71	-39.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010810067	0	41	-1.0	-47.18	326.68	5.00	-42.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010810068	0	39	-1.0	-51.40	304.83	3.65	-47.75
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300010810069	0	37	-1.0	-42.12	313.09	5.19	-36.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010810070	0	35	-1.0	-52.02	313.23	6.99	-45.03
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010810071	0	35	-1.0	-59.03	297.15	6.72	-52.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010810072	0	32	-1.0	-46.74	287.07	5.87	-40.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010810073	0	32	-1.0	-48.17	298.31	5.09	-43.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010810074	0	35	-1.0	-38.15	313.28	6.66	-31.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010810075	0	35	-1.0	-62.28	292.73	7.04	-55.24
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810076	0	43	-1.0	-60.22	351.16	7.02	-53.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010810077	0	43	-1.0	-45.53	335.92	8.01	-37.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010810078	0	42	-1.0	-58.68	346.88	6.65	-52.03
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010810079	0	38	-1.0	-43.13	329.65	5.96	-37.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010810080	0	37	-1.0	-50.62	318.73	5.53	-45.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010810081	0	39	-1.0	-45.67	320.49	3.27	-42.40
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010810082	0	42	-1.0	-55.81	365.36	6.67	-49.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010810083	0	32	-1.0	-63.37	291.95	6.16	-57.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010810084	0	39	-1.0	-58.65	316.98	8.01	-50.64
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=CS1	REAL300010810085	0	33	-1.0	-53.47	283.93	3.51	-49.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010810086	0	35	-1.0	-46.03	298.66	7.02	-39.01
COC(=O)C1=C(C)SC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810087	0	38	-1.0	-48.34	331.50	5.30	-43.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010810088	0	39	-1.0	-52.75	314.91	6.92	-45.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010810089	0	42	-1.0	-46.65	330.46	5.57	-41.08
CCC(C)N1N=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810090	0	41	-1.0	-46.92	323.40	4.76	-42.16
CNC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010810091	0	41	-1.0	-49.11	338.11	2.46	-46.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010810092	0	35	-1.0	-65.37	324.56	2.54	-62.83
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810093	0	44	-1.0	-75.82	361.49	9.63	-66.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010810094	0	32	-1.0	-50.26	291.29	5.63	-44.63
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810095	0	36	-1.0	-49.39	300.84	4.94	-44.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010810096	0	46	-1.0	-51.16	352.67	3.57	-47.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010810097	0	38	-1.0	-52.02	319.86	6.49	-45.53
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010810098	0	36	-1.0	-51.54	305.83	4.56	-46.98
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010810099	0	33	-1.0	-49.60	290.33	3.43	-46.17
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300010810100	0	43	-1.0	-62.04	333.51	6.97	-55.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300010810101	0	35	-1.0	-44.67	294.86	3.99	-40.68
CCOCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810102	0	42	-1.0	-53.31	343.55	5.64	-47.67
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810103	0	41	-1.0	-50.48	346.94	7.61	-42.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010810104	0	42	-1.0	-52.49	344.44	7.02	-45.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010810105	0	45	-1.0	-50.57	353.03	5.91	-44.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010810106	0	43	-1.0	-57.49	360.70	8.80	-48.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1CF	REAL300010810107	0	35	-1.0	-46.08	272.33	5.30	-40.78
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810108	0	44	-1.0	-65.89	358.72	8.70	-57.19
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300010810109	0	38	-1.0	-48.24	324.33	6.70	-41.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010810110	0	37	-1.0	-51.41	327.26	6.44	-44.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010810111	0	31	-1.0	-45.18	291.26	3.21	-41.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010810112	0	33	-1.0	-56.04	289.23	5.30	-50.74
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010810113	0	36	-1.0	-42.43	306.21	4.44	-37.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010810114	0	38	-1.0	-47.92	344.14	7.10	-40.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010810115	0	44	-1.0	-43.28	351.34	2.67	-40.61
CCN1N=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1Cl	REAL300010810116	0	35	-1.0	-40.84	300.98	3.71	-37.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010810117	0	36	-1.0	-45.05	317.57	6.59	-38.46
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C(C)C(=O)[O-])C1CC1)=C2	REAL300010810118	0	38	-1.0	-54.96	355.35	7.25	-47.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010810119	0	32	-1.0	-42.65	297.21	5.82	-36.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010810120	0	34	-1.0	-50.03	304.32	4.17	-45.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010810121	0	37	-1.0	-58.23	320.23	5.99	-52.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010810122	0	37	-1.0	-57.96	309.57	5.51	-52.45
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010810123	0	41	-1.0	-54.36	315.28	7.37	-46.99
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810124	0	36	-1.0	-54.40	318.37	5.97	-48.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010810125	0	39	-1.0	-61.11	327.09	6.27	-54.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010810126	0	46	-1.0	-50.94	371.23	6.48	-44.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010810127	0	32	-1.0	-49.85	288.45	5.36	-44.49
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)O1	REAL300010810128	0	38	-1.0	-58.69	331.10	2.70	-55.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010810129	0	42	-1.0	-67.35	351.15	7.38	-59.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010810130	0	38	-1.0	-53.39	338.42	2.31	-51.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010810131	0	36	-1.0	-56.43	310.79	7.29	-49.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010810132	0	36	-1.0	-57.24	326.02	7.88	-49.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010810133	0	36	-1.0	-56.02	325.67	7.84	-48.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010810134	0	37	-1.0	-45.27	311.10	-1.16	-46.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010810135	0	35	-1.0	-53.28	292.14	5.36	-47.92
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCC(F)(F)CC1	REAL300010810136	0	38	-1.0	-39.60	299.07	5.26	-34.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010810137	0	34	-1.0	-53.07	297.60	4.35	-48.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOC1CCOC1	REAL300010810138	0	40	-1.0	-45.57	322.08	2.14	-43.43
CC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300010810139	0	41	-1.0	-55.90	341.81	4.03	-51.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010810140	0	49	-1.0	-42.36	347.02	8.40	-33.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CC(C)(C)CO1	REAL300010810141	0	42	-1.0	-65.73	333.12	5.28	-60.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010810142	0	35	-1.0	-46.60	298.24	0.62	-45.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010810143	0	40	-1.0	-45.09	306.24	5.41	-39.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCCS(C)(=O)=O	REAL300010810144	0	40	-1.0	-53.83	337.91	1.73	-52.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010810145	0	45	-1.0	-57.18	341.60	5.13	-52.05
CCOC(=O)C1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C2C=CC=CN21	REAL300010810146	0	44	-1.0	-60.16	367.63	6.69	-53.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010810147	0	42	-1.0	-58.95	340.09	8.39	-50.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010810148	0	36	-1.0	-46.98	315.23	3.99	-42.99
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=C2C=C1	REAL300010810149	0	41	-1.0	-58.51	348.03	6.85	-51.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010810150	0	42	-1.0	-62.69	353.63	8.98	-53.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010810151	0	41	-1.0	-44.13	323.35	3.36	-40.77
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810152	0	41	-1.0	-67.55	344.64	7.01	-60.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010810153	0	45	-1.0	-41.62	337.86	7.51	-34.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010810154	0	36	-1.0	-43.56	306.69	6.71	-36.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010810155	0	54	-1.0	-45.26	394.83	9.58	-35.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010810156	0	35	-1.0	-49.43	312.11	5.77	-43.66
COC1=CC=C(C=C(C)S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010810157	0	43	-1.0	-44.57	342.94	5.92	-38.65
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=NN1	REAL300010810158	0	38	-1.0	-50.35	326.84	2.77	-47.58
COC1=CSC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300010810159	0	37	-1.0	-50.31	316.73	3.72	-46.59
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810160	0	35	-1.0	-47.07	321.20	4.24	-42.83
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810161	0	36	-1.0	-51.56	316.17	6.06	-45.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010810162	0	36	-1.0	-56.71	317.01	6.92	-49.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010810163	0	36	-1.0	-50.60	312.13	4.60	-46.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010810164	0	38	-1.0	-49.33	310.71	4.91	-44.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010810165	0	35	-1.0	-49.06	296.89	6.87	-42.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010810166	0	41	-1.0	-49.36	345.51	5.45	-43.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010810167	0	29	-1.0	-44.90	291.96	5.10	-39.80
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300010810168	0	32	-1.0	-49.11	278.38	2.71	-46.40
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810169	0	45	-1.0	-52.11	357.66	7.39	-44.72
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010810170	0	49	-1.0	-57.03	386.54	7.82	-49.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010810171	0	35	-1.0	-55.87	325.03	7.29	-48.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010810172	0	37	-1.0	-45.71	320.03	5.58	-40.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010810173	0	43	-1.0	-53.12	355.95	7.85	-45.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010810174	0	38	-1.0	-72.37	309.26	7.66	-64.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010810175	0	37	-1.0	-54.26	321.51	3.55	-50.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010810176	0	33	-1.0	-45.55	306.47	3.86	-41.69
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810177	0	34	-1.0	-36.56	282.39	3.88	-32.68
C=C(C)COC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810178	0	43	-1.0	-54.06	350.32	6.58	-47.48
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300010810179	0	42	-1.0	-46.39	338.37	5.48	-40.91
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300010810180	0	36	-1.0	-52.54	301.57	4.16	-48.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010810181	0	38	-1.0	-50.09	329.28	7.74	-42.35
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010810182	0	42	-1.0	-49.43	357.57	8.89	-40.54
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C(Cl)S1	REAL300010810183	0	35	-1.0	-65.22	327.97	6.66	-58.56
CCC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300010810184	0	38	-1.0	-47.94	325.67	6.83	-41.11
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810185	0	45	-1.0	-48.52	350.27	5.95	-42.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300010810186	0	29	-1.0	-53.62	279.83	5.55	-48.07
COCCC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810187	0	46	-1.0	-55.89	364.82	5.35	-50.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010810188	0	38	-1.0	-46.64	316.03	7.39	-39.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010810189	0	40	-1.0	-47.12	317.08	2.67	-44.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010810190	0	39	-1.0	-53.66	302.71	6.58	-47.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010810191	0	47	-1.0	-44.53	369.51	5.32	-39.21
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810192	0	35	-1.0	-49.58	302.71	2.71	-46.87
COC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010810193	0	38	-1.0	-42.42	307.89	2.68	-39.74
CC(C)CN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010810194	0	41	-1.0	-45.80	325.13	5.43	-40.37
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810195	0	41	-1.0	-50.84	321.10	4.46	-46.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010810196	0	31	-1.0	-58.82	297.74	4.35	-54.47
COCC1=CC(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=NO1	REAL300010810197	0	38	-1.0	-45.52	321.60	2.83	-42.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C#N)C=CS1	REAL300010810198	0	30	-1.0	-40.87	272.07	4.75	-36.12
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010810199	0	41	-1.0	-57.40	347.74	3.78	-53.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010810200	0	36	-1.0	-57.76	335.28	8.16	-49.60
CC(C)N1N=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810201	0	38	-1.0	-46.85	305.05	4.12	-42.73
COC(=O)C1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010810202	0	40	-1.0	-42.67	327.15	4.64	-38.03
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010810203	0	35	-1.0	-50.25	304.57	7.49	-42.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010810204	0	39	-1.0	-47.21	310.42	4.71	-42.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010810205	0	39	-1.0	-52.95	321.39	6.46	-46.49
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300010810206	0	41	-1.0	-51.09	321.55	4.34	-46.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010810207	0	39	-1.0	-51.89	326.57	7.14	-44.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010810208	0	34	-1.0	-52.69	295.89	4.06	-48.63
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010810209	0	46	-1.0	-58.02	378.67	9.51	-48.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010810210	0	39	-1.0	-47.80	328.91	7.14	-40.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010810211	0	36	-1.0	-46.88	322.68	5.74	-41.14
COC(=O)CC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810212	0	41	-1.0	-65.17	336.82	7.66	-57.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010810213	0	35	-1.0	-49.12	301.11	5.82	-43.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010810214	0	36	-1.0	-57.89	314.52	4.23	-53.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010810215	0	39	-1.0	-56.73	314.76	6.72	-50.01
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Cl)=C1Cl	REAL300010810216	0	35	-1.0	-52.22	301.90	6.11	-46.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010810217	0	36	-1.0	-50.09	311.90	4.57	-45.52
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300010810218	0	39	-1.0	-67.45	321.55	6.42	-61.03
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(=O)OC	REAL300010810219	0	45	-1.0	-53.12	370.49	6.60	-46.52
COC(=O)C1CC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2C1	REAL300010810220	0	45	-1.0	-54.67	365.84	7.49	-47.18
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810221	0	38	-1.0	-49.03	325.10	3.21	-45.82
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810222	0	38	-1.0	-49.37	333.21	7.76	-41.61
COC(=O)C1=CC=NC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810223	0	37	-1.0	-54.86	306.67	5.22	-49.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010810224	0	38	-1.0	-59.27	307.91	7.29	-51.98
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300010810225	0	40	-1.0	-52.25	318.39	6.75	-45.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)C=NS1	REAL300010810226	0	28	-1.0	-53.01	278.39	4.34	-48.67
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C(Cl)S1	REAL300010810227	0	32	-1.0	-47.20	280.68	4.96	-42.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010810228	0	39	-1.0	-50.02	328.18	5.66	-44.36
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810229	0	45	-1.0	-45.15	350.15	7.24	-37.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010810230	0	37	-1.0	-55.06	313.81	7.06	-48.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010810231	0	31	-1.0	-53.59	286.37	5.28	-48.31
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010810232	0	31	-1.0	-54.61	271.46	4.93	-49.68
CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810233	0	43	-1.0	-44.13	315.39	6.93	-37.20
COC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810234	0	37	-1.0	-69.55	309.56	6.35	-63.20
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810235	0	40	-1.0	-53.09	341.70	6.24	-46.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010810236	0	31	-1.0	-41.64	279.84	5.19	-36.45
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810237	0	37	-1.0	-41.43	318.56	5.40	-36.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300010810238	0	43	-1.0	-44.45	339.25	6.99	-37.46
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810239	0	43	-1.0	-44.44	341.72	7.25	-37.19
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810240	0	48	-1.0	-48.73	399.78	4.38	-44.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010810241	0	42	-1.0	-55.79	361.40	2.62	-53.17
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810242	0	41	-1.0	-47.38	344.92	3.68	-43.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010810243	0	33	-1.0	-37.53	293.77	5.46	-32.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010810244	0	31	-1.0	-55.95	283.17	5.78	-50.17
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010810245	0	31	-1.0	-49.70	289.36	5.42	-44.28
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300010810246	0	35	-1.0	-45.75	312.95	4.62	-41.13
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810247	0	42	-1.0	-59.48	342.33	3.40	-56.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010810248	0	31	-1.0	-40.05	275.51	4.63	-35.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010810249	0	31	-1.0	-49.06	298.54	5.68	-43.38
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010810250	0	37	-1.0	-48.49	342.87	6.67	-41.82
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(C(=O)OC)=C1	REAL300010810251	0	43	-1.0	-56.30	374.59	5.95	-50.35
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810252	0	43	-1.0	-55.00	353.81	6.55	-48.45
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010810253	0	31	-1.0	-53.31	282.10	5.08	-48.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010810254	0	34	-1.0	-55.40	307.31	6.53	-48.87
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300010810255	0	34	-1.0	-41.50	302.55	5.85	-35.65
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1NC(C)=O	REAL300010810256	0	42	-1.0	-56.10	347.10	2.99	-53.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010810257	0	35	-1.0	-50.15	311.06	4.45	-45.70
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300010810258	0	46	-1.0	-45.41	328.73	7.38	-38.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010810259	0	40	-1.0	-46.04	325.84	4.59	-41.45
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810260	0	36	-1.0	-50.69	307.26	5.85	-44.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010810261	0	28	-1.0	-49.48	278.69	4.37	-45.11
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1Cl	REAL300010810262	0	37	-1.0	-51.42	316.77	6.85	-44.57
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810263	0	35	-1.0	-57.20	307.28	5.15	-52.05
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810264	0	49	-1.0	-53.40	362.65	8.27	-45.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010810265	0	47	-1.0	-53.24	366.93	8.46	-44.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010810266	0	34	-1.0	-40.33	301.79	5.66	-34.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010810267	0	41	-1.0	-54.75	327.79	7.14	-47.61
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810268	0	39	-1.0	-60.70	315.46	3.82	-56.88
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810269	0	39	-1.0	-47.15	321.76	3.86	-43.29
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010810270	0	41	-1.0	-55.67	362.31	4.24	-51.43
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810271	0	38	-1.0	-55.69	339.69	2.81	-52.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010810272	0	39	-1.0	-44.92	312.26	6.92	-38.00
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810273	0	41	-1.0	-49.85	329.00	4.13	-45.72
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010810274	0	28	-1.0	-49.17	276.94	4.40	-44.77
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810275	0	46	-1.0	-53.76	368.53	8.16	-45.60
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010810276	0	37	-1.0	-47.00	294.33	6.51	-40.49
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010810277	0	41	-1.0	-46.17	337.22	8.07	-38.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010810278	0	34	-1.0	-38.42	303.90	5.77	-32.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010810279	0	31	-1.0	-49.91	299.91	6.28	-43.63
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810280	0	46	-1.0	-44.47	353.48	7.45	-37.02
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810281	0	34	-1.0	-41.23	298.51	5.77	-35.46
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010810282	0	31	-1.0	-46.84	284.07	4.84	-42.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010810283	0	31	-1.0	-38.94	289.92	5.17	-33.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010810284	0	34	-1.0	-41.92	301.68	5.50	-36.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010810285	0	31	-1.0	-38.55	289.92	5.17	-33.38
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010810286	0	31	-1.0	-38.65	275.62	4.62	-34.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010810287	0	34	-1.0	-42.41	307.37	5.71	-36.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010810288	0	36	-1.0	-51.60	296.17	5.84	-45.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010810289	0	34	-1.0	-55.42	296.97	6.08	-49.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010810290	0	42	-1.0	-47.97	368.54	8.04	-39.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010810291	0	31	-1.0	-42.60	279.13	5.00	-37.60
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010810292	0	31	-1.0	-49.59	278.07	4.99	-44.60
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810293	0	37	-1.0	-52.34	315.80	5.19	-47.15
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810294	0	35	-1.0	-47.37	298.75	4.03	-43.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010810295	0	31	-1.0	-42.34	290.05	5.33	-37.01
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300010810296	0	46	-1.0	-53.08	383.25	6.79	-46.29
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810297	0	38	-1.0	-54.79	334.96	4.17	-50.62
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010810298	0	47	-1.0	-47.75	361.56	7.39	-40.36
CC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1Cl	REAL300010810299	0	34	-1.0	-44.28	302.55	6.48	-37.80
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010810300	0	34	-1.0	-39.14	317.18	6.32	-32.82
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010810301	0	41	-1.0	-47.66	322.66	5.86	-41.80
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010810302	0	38	-1.0	-42.84	313.65	2.10	-40.74
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010810303	0	39	-1.0	-46.75	324.85	2.04	-44.71
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810304	0	36	-1.0	-49.39	301.34	5.78	-43.61
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810305	0	38	-1.0	-64.31	321.69	3.44	-60.87
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810306	0	36	-1.0	-40.99	291.13	5.48	-35.51
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810307	0	37	-1.0	-54.22	336.59	5.82	-48.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010810308	0	30	-1.0	-42.73	276.49	3.83	-38.90
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010810309	0	40	-1.0	-55.63	348.06	2.88	-52.75
CC(=O)NC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1F	REAL300010810310	0	38	-1.0	-46.76	325.05	3.67	-43.09
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C21	REAL300010810311	0	45	-1.0	-56.06	354.67	6.24	-49.82
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300010810312	0	36	-1.0	-49.84	310.55	0.66	-49.18
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300010810313	0	41	-1.0	-43.57	313.21	4.95	-38.62
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010810314	0	31	-1.0	-40.39	275.29	4.97	-35.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010810315	0	42	-1.0	-54.13	348.40	4.16	-49.97
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010810316	0	34	-1.0	-56.81	310.17	5.99	-50.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010810317	0	31	-1.0	-50.42	301.20	5.73	-44.69
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810318	0	45	-1.0	-63.36	368.19	3.54	-59.82
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810319	0	39	-1.0	-37.07	313.45	6.46	-30.61
CC(C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810320	0	43	-1.0	-44.00	344.24	7.35	-36.65
COCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810321	0	41	-1.0	-54.08	341.64	5.17	-48.91
COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810322	0	43	-1.0	-52.27	342.43	1.93	-50.34
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810323	0	34	-1.0	-40.26	285.71	5.56	-34.70
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810324	0	47	-1.0	-43.21	374.97	6.98	-36.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010810325	0	45	-1.0	-44.38	357.69	6.88	-37.50
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810326	0	44	-1.0	-43.32	356.01	6.37	-36.95
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810327	0	41	-1.0	-43.33	335.90	5.68	-37.65
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810328	0	35	-1.0	-45.87	308.56	4.51	-41.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010810329	0	35	-1.0	-53.16	320.34	4.78	-48.38
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810330	0	38	-1.0	-44.25	312.61	4.69	-39.56
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300010810331	0	44	-1.0	-44.75	352.38	6.24	-38.51
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300010810332	0	38	-1.0	-54.10	302.56	4.40	-49.70
COCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810333	0	42	-1.0	-46.85	348.01	4.15	-42.70
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810334	0	42	-1.0	-65.10	355.82	4.32	-60.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010810335	0	46	-1.0	-57.11	371.18	4.16	-52.95
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Br)=C1	REAL300010810336	0	34	-1.0	-42.40	289.69	5.57	-36.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010810337	0	37	-1.0	-46.01	325.37	2.25	-43.76
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810338	0	37	-1.0	-48.42	315.85	6.38	-42.04
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010810339	0	36	-1.0	-49.37	304.03	5.04	-44.33
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810340	0	37	-1.0	-54.01	341.15	5.92	-48.09
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810341	0	35	-1.0	-56.46	302.45	5.10	-51.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010810342	0	32	-1.0	-54.76	286.11	4.95	-49.81
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010810343	0	35	-1.0	-50.90	310.70	5.54	-45.36
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810344	0	48	-1.0	-57.03	403.10	3.83	-53.20
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1OC	REAL300010810345	0	41	-1.0	-49.38	345.11	5.36	-44.02
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810346	0	40	-1.0	-44.69	333.84	5.86	-38.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010810347	0	40	-1.0	-57.21	331.71	4.72	-52.49
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300010810348	0	40	-1.0	-56.20	330.72	5.83	-50.37
CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810349	0	40	-1.0	-43.80	319.14	4.49	-39.31
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810350	0	40	-1.0	-57.99	329.62	5.92	-52.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010810351	0	43	-1.0	-56.87	319.25	7.47	-49.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010810352	0	44	-1.0	-50.35	357.53	7.10	-43.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010810353	0	39	-1.0	-47.33	329.51	4.07	-43.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010810354	0	38	-1.0	-58.95	330.04	5.93	-53.02
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1F	REAL300010810355	0	37	-1.0	-43.03	325.06	5.23	-37.80
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010810356	0	35	-1.0	-42.75	308.60	4.53	-38.22
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=NN1C1=CC=C(Cl)C=C1	REAL300010810357	0	41	-1.0	-55.82	349.27	6.47	-49.35
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C(Br)S1	REAL300010810358	0	31	-1.0	-52.67	284.23	4.78	-47.89
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1	REAL300010810359	0	35	-1.0	-59.68	308.47	3.00	-56.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010810360	0	32	-1.0	-41.49	299.25	5.47	-36.02
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810361	0	39	-1.0	-57.84	303.99	7.05	-50.79
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810362	0	37	-1.0	-46.72	319.38	5.38	-41.34
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810363	0	40	-1.0	-64.63	339.82	2.98	-61.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010810364	0	32	-1.0	-37.39	299.28	5.46	-31.93
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810365	0	47	-1.0	-50.76	375.26	6.43	-44.33
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010810366	0	42	-1.0	-57.63	351.10	4.63	-53.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010810367	0	43	-1.0	-48.55	372.05	2.51	-46.04
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)O1	REAL300010810368	0	34	-1.0	-52.85	304.62	3.45	-49.40
COC(=O)C1=C(C)OC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810369	0	37	-1.0	-50.65	322.96	4.11	-46.54
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010810370	0	33	-1.0	-65.57	287.24	6.24	-59.33
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010810371	0	34	-1.0	-39.68	318.73	6.36	-33.32
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(C)N1	REAL300010810372	0	44	-1.0	-50.37	358.41	5.32	-45.05
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010810373	0	31	-1.0	-57.05	280.46	5.46	-51.59
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S2)=CS1	REAL300010810374	0	37	-1.0	-46.57	342.65	5.22	-41.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010810375	0	51	-1.0	-44.61	397.60	8.27	-36.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010810376	0	41	-1.0	-62.17	362.33	4.23	-57.94
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010810377	0	31	-1.0	-53.42	292.85	5.75	-47.67
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810378	0	40	-1.0	-45.70	323.75	5.69	-40.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010810379	0	33	-1.0	-63.02	300.96	6.85	-56.17
COC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810380	0	39	-1.0	-45.18	321.60	3.71	-41.47
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810381	0	42	-1.0	-42.91	326.04	4.21	-38.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010810382	0	33	-1.0	-45.35	304.83	6.88	-38.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010810383	0	34	-1.0	-46.58	303.18	5.57	-41.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010810384	0	32	-1.0	-51.80	278.38	4.60	-47.20
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010810385	0	32	-1.0	-51.68	288.71	5.05	-46.63
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Br)=C1	REAL300010810386	0	37	-1.0	-51.15	326.35	5.58	-45.57
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300010810387	0	34	-1.0	-41.34	302.55	5.86	-35.48
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010810388	0	35	-1.0	-53.40	306.80	1.73	-51.67
COC(=O)CN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300010810389	0	37	-1.0	-62.99	324.42	3.42	-59.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010810390	0	37	-1.0	-56.33	318.84	7.51	-48.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010810391	0	36	-1.0	-53.22	318.82	6.69	-46.53
CC1=C(Br)SC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810392	0	31	-1.0	-50.97	298.27	4.98	-45.99
CC1=C(Br)C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810393	0	36	-1.0	-50.51	329.83	6.46	-44.05
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(F)=C1F	REAL300010810394	0	37	-1.0	-49.24	330.69	5.39	-43.85
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010810395	0	49	-1.0	-42.07	349.64	6.31	-35.76
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300010810396	0	39	-1.0	-62.88	319.02	6.37	-56.51
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010810397	0	42	-1.0	-54.35	342.24	3.20	-51.15
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1Br	REAL300010810398	0	34	-1.0	-42.82	286.97	5.47	-37.35
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810399	0	37	-1.0	-44.58	315.14	5.95	-38.63
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010810400	0	39	-1.0	-52.43	323.12	2.42	-50.01
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010810401	0	37	-1.0	-42.34	318.57	5.40	-36.94
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810402	0	37	-1.0	-40.26	308.06	6.06	-34.20
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300010810403	0	38	-1.0	-54.71	324.83	2.27	-52.44
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300010810404	0	37	-1.0	-40.77	334.11	5.78	-34.99
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010810405	0	44	-1.0	-47.59	344.54	6.78	-40.81
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810406	0	41	-1.0	-58.83	327.48	6.05	-52.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010810407	0	36	-1.0	-68.08	313.35	4.83	-63.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010810408	0	38	-1.0	-55.17	325.65	5.77	-49.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010810409	0	45	-1.0	-45.83	381.25	6.74	-39.09
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010810410	0	33	-1.0	-49.03	309.46	5.78	-43.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010810411	0	32	-1.0	-42.97	273.78	4.52	-38.45
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810412	0	45	-1.0	-46.92	369.86	5.11	-41.81
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810413	0	47	-1.0	-43.21	378.90	7.24	-35.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010810414	0	33	-1.0	-64.00	295.95	6.68	-57.32
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1F	REAL300010810415	0	37	-1.0	-41.52	322.39	5.33	-36.19
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300010810416	0	37	-1.0	-40.68	331.89	5.77	-34.91
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810417	0	41	-1.0	-63.89	340.63	5.18	-58.71
COC(=O)C1=CSC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810418	0	34	-1.0	-48.69	311.21	4.34	-44.35
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810419	0	43	-1.0	-57.35	344.75	6.30	-51.05
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1C	REAL300010810420	0	40	-1.0	-42.67	333.87	5.83	-36.84
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810421	0	37	-1.0	-47.33	317.65	5.15	-42.18
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010810422	0	41	-1.0	-58.24	320.15	7.33	-50.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010810423	0	30	-1.0	-40.30	279.40	3.47	-36.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010810424	0	35	-1.0	-50.32	321.46	6.12	-44.20
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300010810425	0	45	-1.0	-43.02	383.55	3.09	-39.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010810426	0	31	-1.0	-50.73	292.07	5.32	-45.41
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010810427	0	38	-1.0	-66.20	329.70	2.52	-63.68
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810428	0	34	-1.0	-40.13	287.08	5.55	-34.58
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300010810429	0	35	-1.0	-41.79	312.97	4.63	-37.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010810430	0	42	-1.0	-53.46	342.52	5.91	-47.55
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010810431	0	39	-1.0	-44.46	341.99	1.43	-43.03
CCC(=O)NCC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1OC	REAL300010810432	0	48	-1.0	-47.02	393.95	3.82	-43.20
COC1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810433	0	35	-1.0	-44.04	298.37	4.20	-39.84
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810434	0	40	-1.0	-61.83	347.24	3.07	-58.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010810435	0	33	-1.0	-50.27	313.36	4.56	-45.71
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810436	0	36	-1.0	-50.80	305.85	5.14	-45.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010810437	0	32	-1.0	-50.05	307.20	5.66	-44.39
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300010810438	0	38	-1.0	-45.66	334.82	5.55	-40.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010810439	0	36	-1.0	-44.31	313.74	0.12	-44.19
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010810440	0	45	-1.0	-46.41	376.06	6.62	-39.79
COC(=O)CC1(CS(=O)(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300010810441	0	40	-1.0	-56.68	331.08	5.13	-51.55
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810442	0	36	-1.0	-62.14	322.05	4.96	-57.18
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010810443	0	39	-1.0	-63.27	328.77	5.90	-57.37
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810444	0	47	-1.0	-53.12	399.48	3.32	-49.80
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010810445	0	41	-1.0	-56.79	345.33	5.57	-51.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010810446	0	36	-1.0	-42.62	311.30	4.83	-37.79
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300010810447	0	41	-1.0	-53.80	324.41	5.33	-48.47
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810448	0	40	-1.0	-47.65	316.44	6.25	-41.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010810449	0	35	-1.0	-55.64	297.34	4.79	-50.85
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810450	0	35	-1.0	-53.64	305.27	5.68	-47.96
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810451	0	43	-1.0	-52.79	363.20	7.03	-45.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010810452	0	37	-1.0	-44.78	313.60	4.08	-40.70
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010810453	0	37	-1.0	-41.29	324.32	6.37	-34.92
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810454	0	42	-1.0	-43.21	333.50	6.42	-36.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010810455	0	30	-1.0	-48.26	280.15	3.37	-44.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010810456	0	37	-1.0	-47.84	295.98	4.17	-43.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010810457	0	36	-1.0	-58.46	299.56	5.20	-53.26
CC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810458	0	34	-1.0	-40.13	290.33	5.66	-34.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010810459	0	39	-1.0	-44.27	322.86	3.85	-40.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010810460	0	47	-1.0	-60.63	380.20	5.59	-55.04
COC1=CC(Br)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810461	0	39	-1.0	-43.54	327.30	4.10	-39.44
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OCC	REAL300010810462	0	45	-1.0	-44.94	365.48	5.71	-39.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010810463	0	37	-1.0	-55.12	310.61	3.63	-51.49
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010810464	0	36	-1.0	-49.12	317.27	-0.38	-49.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010810465	0	42	-1.0	-49.06	340.86	5.77	-43.29
CC(=O)N1CCCC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C21	REAL300010810466	0	45	-1.0	-63.25	356.64	6.22	-57.03
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810467	0	39	-1.0	-53.07	318.28	6.32	-46.75
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810468	0	37	-1.0	-53.45	319.84	5.32	-48.13
CC(=O)N1CCC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C21	REAL300010810469	0	42	-1.0	-59.74	344.34	5.71	-54.03
CNC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810470	0	38	-1.0	-57.98	321.51	2.93	-55.05
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010810471	0	35	-1.0	-49.53	297.54	1.44	-48.09
CC(=O)N1C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2CC1C	REAL300010810472	0	45	-1.0	-59.04	359.45	6.23	-52.81
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=CS1	REAL300010810473	0	34	-1.0	-65.82	305.78	4.94	-60.88
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810474	0	34	-1.0	-51.29	312.94	4.42	-46.87
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010810475	0	35	-1.0	-42.55	319.70	5.84	-36.71
CCOC(=O)C1=CNN=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810476	0	37	-1.0	-52.59	315.11	3.17	-49.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010810477	0	37	-1.0	-42.95	319.61	1.65	-41.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010810478	0	37	-1.0	-44.77	313.77	1.88	-42.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010810479	0	37	-1.0	-43.83	315.34	1.96	-41.87
CC1=CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C2N=C1	REAL300010810480	0	39	-1.0	-51.41	317.43	6.49	-44.92
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300010810481	0	37	-1.0	-66.51	313.66	5.64	-60.87
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810482	0	35	-1.0	-54.54	304.31	5.04	-49.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010810483	0	35	-1.0	-56.92	304.08	5.01	-51.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010810484	0	36	-1.0	-60.61	319.31	-0.39	-61.00
COC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810485	0	37	-1.0	-60.28	319.86	5.31	-54.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010810486	0	43	-1.0	-43.95	370.56	2.46	-41.49
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010810487	0	36	-1.0	-58.79	317.09	6.04	-52.75
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Cl)=C1	REAL300010810488	0	34	-1.0	-42.80	286.58	5.44	-37.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010810489	0	37	-1.0	-41.93	318.55	1.05	-40.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010810490	0	37	-1.0	-53.02	323.73	2.18	-50.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010810491	0	38	-1.0	-54.73	330.71	3.92	-50.81
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010810492	0	40	-1.0	-42.79	320.91	5.99	-36.80
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010810493	0	39	-1.0	-47.27	309.52	5.44	-41.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010810494	0	37	-1.0	-58.12	319.21	4.61	-53.51
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010810495	0	36	-1.0	-42.31	310.85	6.16	-36.15
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810496	0	39	-1.0	-50.17	311.48	7.09	-43.08
CCOC(=O)C1CCCN(S(=O)(=O)N(CC(=O)[O-])C(C)C)C1	REAL300010810497	0	45	-1.0	-57.81	357.49	5.27	-52.54
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010810498	0	35	-1.0	-52.52	311.06	4.45	-48.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010810499	0	42	-1.0	-47.55	359.36	2.62	-44.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010810500	0	31	-1.0	-49.72	274.46	4.87	-44.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010810501	0	33	-1.0	-45.98	289.19	6.39	-39.59
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010810502	0	43	-1.0	-47.22	349.24	4.00	-43.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010810503	0	41	-1.0	-60.73	334.72	8.50	-52.23
CCOC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810504	0	40	-1.0	-52.09	339.68	6.23	-45.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010810505	0	31	-1.0	-50.84	286.37	5.28	-45.56
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010810506	0	33	-1.0	-40.11	291.26	5.33	-34.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010810507	0	37	-1.0	-47.19	308.93	6.93	-40.26
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810508	0	38	-1.0	-61.64	321.14	3.55	-58.09
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810509	0	36	-1.0	-54.70	307.32	6.13	-48.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010810510	0	33	-1.0	-71.44	282.35	6.41	-65.03
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810511	0	38	-1.0	-57.10	327.34	6.01	-51.09
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810512	0	38	-1.0	-44.79	314.38	4.88	-39.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010810513	0	37	-1.0	-45.69	307.53	3.82	-41.87
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810514	0	46	-1.0	-42.19	342.92	7.33	-34.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010810515	0	31	-1.0	-41.52	294.96	5.63	-35.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010810516	0	31	-1.0	-41.25	281.40	5.25	-36.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010810517	0	34	-1.0	-54.33	303.80	5.65	-48.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010810518	0	34	-1.0	-60.89	290.57	6.02	-54.87
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010810519	0	34	-1.0	-42.26	314.96	6.07	-36.19
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010810520	0	34	-1.0	-41.28	303.40	5.73	-35.55
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010810521	0	31	-1.0	-50.68	287.66	5.22	-45.46
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300010810522	0	40	-1.0	-51.54	339.42	3.72	-47.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010810523	0	30	-1.0	-47.10	292.16	3.74	-43.36
COC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810524	0	35	-1.0	-45.28	294.14	4.03	-41.25
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300010810525	0	40	-1.0	-58.31	340.61	7.21	-51.10
COC(=O)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810526	0	40	-1.0	-48.05	339.98	6.11	-41.94
CC1=CC=C(N2C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300010810527	0	41	-1.0	-53.15	347.05	6.46	-46.69
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C21	REAL300010810528	0	42	-1.0	-72.41	345.59	5.77	-66.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010810529	0	32	-1.0	-42.30	283.26	4.88	-37.42
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300010810530	0	45	-1.0	-54.05	366.68	4.15	-49.90
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010810531	0	39	-1.0	-46.61	336.82	5.77	-40.84
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010810532	0	36	-1.0	-49.42	309.29	5.84	-43.58
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300010810533	0	45	-1.0	-50.47	379.99	7.26	-43.21
COC(=O)C1=COC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810534	0	34	-1.0	-53.97	304.96	3.40	-50.57
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300010810535	0	42	-1.0	-58.62	352.82	5.41	-53.21
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010810536	0	33	-1.0	-53.08	297.08	4.14	-48.94
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810537	0	41	-1.0	-56.74	330.67	4.90	-51.84
CC(=O)NC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1C	REAL300010810538	0	41	-1.0	-52.81	337.63	4.46	-48.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010810539	0	43	-1.0	-45.95	337.25	5.21	-40.74
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300010810540	0	33	-1.0	-50.78	295.72	3.88	-46.90
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010810541	0	37	-1.0	-45.02	314.44	3.72	-41.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010810542	0	40	-1.0	-52.85	338.06	6.30	-46.55
COC1=CC(OC)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810543	0	39	-1.0	-55.69	324.06	3.26	-52.43
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1CC	REAL300010810544	0	43	-1.0	-45.89	340.11	7.23	-38.66
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810545	0	39	-1.0	-47.95	313.29	6.60	-41.35
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(C)O1	REAL300010810546	0	37	-1.0	-46.12	313.22	3.96	-42.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010810547	0	32	-1.0	-41.37	277.61	2.60	-38.77
COC(=O)C1=NSC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810548	0	33	-1.0	-63.99	299.04	3.39	-60.60
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300010810549	0	37	-1.0	-50.83	312.10	5.99	-44.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010810550	0	39	-1.0	-58.68	322.62	3.12	-55.56
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1C	REAL300010810551	0	38	-1.0	-44.58	324.46	4.75	-39.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010810552	0	31	-1.0	-49.26	288.22	5.24	-44.02
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810553	0	42	-1.0	-47.73	345.49	6.49	-41.24
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010810554	0	34	-1.0	-39.13	307.86	5.91	-33.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010810555	0	36	-1.0	-45.83	305.36	0.83	-45.00
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810556	0	34	-1.0	-51.08	289.84	5.62	-45.46
CNC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1C	REAL300010810557	0	39	-1.0	-46.11	327.23	2.31	-43.80
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300010810558	0	41	-1.0	-53.63	315.88	5.24	-48.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010810559	0	39	-1.0	-45.71	324.46	3.90	-41.81
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010810560	0	42	-1.0	-45.94	338.53	4.78	-41.16
COC(=O)C1=CC=CC(CS(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810561	0	40	-1.0	-45.59	340.08	6.00	-39.59
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)O1	REAL300010810562	0	37	-1.0	-52.80	326.48	4.38	-48.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010810563	0	42	-1.0	-54.81	349.29	8.77	-46.04
COC(=O)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810564	0	41	-1.0	-45.99	348.91	5.58	-40.41
COC(=O)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810565	0	44	-1.0	-47.92	369.86	5.72	-42.20
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810566	0	41	-1.0	-43.49	318.74	5.07	-38.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010810567	0	35	-1.0	-44.90	301.43	5.03	-39.87
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010810568	0	34	-1.0	-59.42	292.55	6.13	-53.29
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010810569	0	33	-1.0	-62.65	305.52	6.96	-55.69
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810570	0	36	-1.0	-55.78	289.12	6.89	-48.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010810571	0	33	-1.0	-37.23	296.78	5.57	-31.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010810572	0	28	-1.0	-54.69	274.05	4.18	-50.51
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010810573	0	35	-1.0	-42.32	291.31	4.73	-37.59
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300010810574	0	39	-1.0	-54.23	308.00	5.73	-48.50
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010810575	0	33	-1.0	-41.98	296.97	3.99	-37.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010810576	0	39	-1.0	-44.40	322.71	3.69	-40.71
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010810577	0	36	-1.0	-46.21	289.51	4.73	-41.48
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010810578	0	30	-1.0	-39.93	281.18	3.46	-36.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010810579	0	33	-1.0	-40.98	307.45	5.78	-35.20
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810580	0	40	-1.0	-60.28	342.67	3.17	-57.11
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010810581	0	36	-1.0	-65.23	315.07	5.41	-59.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010810582	0	33	-1.0	-43.17	290.53	6.09	-37.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010810583	0	33	-1.0	-47.77	299.70	5.39	-42.38
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010810584	0	38	-1.0	-45.07	333.95	5.34	-39.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010810585	0	33	-1.0	-45.67	293.76	6.49	-39.18
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010810586	0	45	-1.0	-45.88	374.29	7.93	-37.95
CC(C)N(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010810587	0	46	-1.0	-52.65	341.27	6.99	-45.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010810588	0	39	-1.0	-63.54	338.89	1.27	-62.27
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810589	0	39	-1.0	-64.95	328.15	5.92	-59.03
CCOC(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300010810590	0	44	-1.0	-53.82	349.23	3.37	-50.45
COC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300010810591	0	40	-1.0	-57.05	338.87	5.68	-51.37
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010810592	0	41	-1.0	-53.71	351.05	6.23	-47.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810593	0	53	-1.0	-41.75	395.02	7.35	-34.40
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810594	0	37	-1.0	-45.33	323.62	5.56	-39.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010810595	0	39	-1.0	-51.79	340.11	1.27	-50.52
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(F)C=C1F	REAL300010810596	0	34	-1.0	-40.62	289.63	5.20	-35.42
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810597	0	38	-1.0	-46.42	323.99	5.72	-40.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010810598	0	43	-1.0	-54.57	355.80	6.19	-48.38
CC1=CN(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2F)N=C1	REAL300010810599	0	41	-1.0	-44.76	347.66	6.69	-38.07
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810600	0	38	-1.0	-57.62	339.32	3.72	-53.90
CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810601	0	38	-1.0	-49.57	325.35	-0.62	-50.19
CC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810602	0	34	-1.0	-42.75	289.64	5.21	-37.54
CC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810603	0	36	-1.0	-43.68	308.97	5.92	-37.76
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300010810604	0	37	-1.0	-43.82	314.60	5.93	-37.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010810605	0	28	-1.0	-49.03	281.57	4.50	-44.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010810606	0	43	-1.0	-46.03	351.57	6.51	-39.52
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010810607	0	31	-1.0	-41.90	284.24	5.13	-36.77
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010810608	0	37	-1.0	-40.37	317.48	6.19	-34.18
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010810609	0	37	-1.0	-56.93	337.90	5.43	-51.50
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300010810610	0	39	-1.0	-51.80	331.39	4.39	-47.41
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010810611	0	34	-1.0	-58.54	315.50	6.03	-52.51
CC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300010810612	0	35	-1.0	-50.43	304.83	1.63	-48.80
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010810613	0	40	-1.0	-56.20	346.62	7.50	-48.70
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010810614	0	33	-1.0	-41.98	296.97	3.99	-37.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010810615	0	33	-1.0	-41.16	297.15	5.58	-35.58
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810616	0	37	-1.0	-49.48	305.52	5.93	-43.55
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010810617	0	34	-1.0	-56.96	302.46	5.81	-51.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010810618	0	31	-1.0	-41.20	285.96	5.35	-35.85
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300010810619	0	39	-1.0	-47.34	334.40	4.52	-42.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010810620	0	39	-1.0	-45.12	332.74	2.07	-43.05
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1F	REAL300010810621	0	40	-1.0	-41.41	344.25	6.26	-35.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010810622	0	39	-1.0	-48.86	316.72	5.04	-43.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010810623	0	34	-1.0	-52.24	320.71	6.60	-45.64
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300010810624	0	37	-1.0	-56.33	327.65	7.44	-48.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010810625	0	34	-1.0	-42.13	308.68	6.24	-35.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010810626	0	37	-1.0	-46.73	307.15	7.41	-39.32
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010810627	0	37	-1.0	-45.54	311.14	7.01	-38.53
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C2O1	REAL300010810628	0	45	-1.0	-49.25	376.59	6.91	-42.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010810629	0	37	-1.0	-46.17	328.14	2.21	-43.96
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010810630	0	44	-1.0	-50.27	370.46	6.22	-44.05
CC(C)N(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010810631	0	42	-1.0	-47.61	361.52	1.69	-45.92
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010810632	0	32	-1.0	-53.92	294.06	5.32	-48.60
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300010810633	0	42	-1.0	-45.59	337.94	5.33	-40.26
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810634	0	36	-1.0	-51.26	319.76	6.49	-44.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010810635	0	34	-1.0	-45.18	292.39	4.88	-40.30
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810636	0	37	-1.0	-63.42	326.15	6.84	-56.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810637	0	43	-1.0	-53.21	334.88	5.05	-48.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010810638	0	37	-1.0	-62.44	325.77	2.18	-60.26
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300010810639	0	47	-1.0	-44.96	382.60	2.34	-42.62
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810640	0	39	-1.0	-64.65	320.66	6.38	-58.27
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010810641	0	46	-1.0	-56.31	387.02	3.79	-52.52
CCC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810642	0	41	-1.0	-61.53	341.73	4.36	-57.17
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810643	0	40	-1.0	-61.08	333.69	6.43	-54.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010810644	0	31	-1.0	-41.69	271.07	4.80	-36.89
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810645	0	50	-1.0	-74.68	397.78	7.63	-67.05
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010810646	0	34	-1.0	-46.08	312.17	6.27	-39.81
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810647	0	38	-1.0	-48.50	332.76	4.03	-44.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010810648	0	39	-1.0	-53.47	322.13	5.27	-48.20
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810649	0	35	-1.0	-42.24	310.14	4.59	-37.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810650	0	43	-1.0	-59.19	351.77	3.54	-55.65
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CS1	REAL300010810651	0	34	-1.0	-49.46	310.43	4.35	-45.11
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810652	0	40	-1.0	-49.62	338.09	6.88	-42.74
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010810653	0	42	-1.0	-52.98	370.49	8.01	-44.97
COC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810654	0	40	-1.0	-43.71	321.32	5.64	-38.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010810655	0	33	-1.0	-47.53	314.59	5.95	-41.58
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810656	0	35	-1.0	-48.88	315.74	5.47	-43.41
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810657	0	43	-1.0	-44.50	338.92	5.16	-39.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010810658	0	33	-1.0	-57.56	293.29	5.32	-52.24
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)=C1	REAL300010810659	0	45	-1.0	-52.75	375.19	8.18	-44.57
COC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810660	0	38	-1.0	-47.57	306.07	5.21	-42.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010810661	0	34	-1.0	-56.92	296.82	2.16	-54.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010810662	0	31	-1.0	-50.66	292.85	5.75	-44.91
COC(=O)C1CCN(S(=O)(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300010810663	0	42	-1.0	-56.27	334.52	4.34	-51.93
COC1=C(C)C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810664	0	41	-1.0	-52.94	338.66	5.54	-47.40
COCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810665	0	38	-1.0	-56.43	320.14	4.37	-52.06
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010810666	0	31	-1.0	-44.13	295.71	4.77	-39.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010810667	0	37	-1.0	-45.70	329.51	5.34	-40.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010810668	0	37	-1.0	-56.56	348.23	5.88	-50.68
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810669	0	43	-1.0	-54.34	315.45	7.31	-47.03
CC1=CC(Br)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810670	0	31	-1.0	-55.05	294.58	5.00	-50.05
CC1=C(Br)SC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300010810671	0	30	-1.0	-52.03	291.41	2.93	-49.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010810672	0	35	-1.0	-45.28	315.75	3.52	-41.76
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010810673	0	36	-1.0	-67.23	306.93	6.42	-60.81
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010810674	0	39	-1.0	-66.21	330.04	6.54	-59.67
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010810675	0	39	-1.0	-43.02	334.98	6.80	-36.22
CC1=NN2C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300010810676	0	36	-1.0	-49.67	325.36	4.59	-45.08
CCCCCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010810677	0	49	-1.0	-62.57	397.33	5.35	-57.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010810678	0	31	-1.0	-46.67	292.02	5.12	-41.55
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010810679	0	34	-1.0	-49.00	295.89	5.41	-43.59
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010810680	0	42	-1.0	-56.03	341.97	6.22	-49.81
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010810681	0	35	-1.0	-59.79	315.05	5.78	-54.01
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300010810682	0	36	-1.0	-48.62	318.14	5.98	-42.64
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810683	0	37	-1.0	-63.30	315.82	6.40	-56.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(OC)=C1	REAL300010810684	0	46	-1.0	-61.27	382.37	2.17	-59.10
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810685	1	46	-1.0	-66.71	376.50	1.89	-64.82
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810686	0	45	-1.0	-43.54	384.95	3.11	-40.43
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010810687	0	45	-1.0	-42.79	368.92	5.86	-36.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010810688	0	34	-1.0	-53.77	283.93	3.90	-49.87
CC1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810689	0	34	-1.0	-42.57	290.05	5.57	-37.00
CC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810690	0	34	-1.0	-43.74	286.07	5.39	-38.35
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010810691	0	34	-1.0	-58.91	300.61	5.47	-53.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810692	0	42	-1.0	-43.59	363.45	2.32	-41.27
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010810693	0	30	-1.0	-54.07	278.89	3.93	-50.14
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=CC=C12	REAL300010810694	0	42	-1.0	-45.47	339.51	5.20	-40.27
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010810695	0	34	-1.0	-55.97	322.33	6.44	-49.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010810696	0	39	-1.0	-68.84	337.92	2.83	-66.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010810697	0	31	-1.0	-38.21	292.73	6.07	-32.14
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010810698	0	30	-1.0	-48.21	280.27	3.45	-44.76
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300010810699	0	36	-1.0	-51.66	315.82	3.49	-48.17
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010810700	0	34	-1.0	-51.41	321.22	1.38	-50.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010810701	0	50	-1.0	-60.93	419.92	5.63	-55.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010810702	0	39	-1.0	-54.26	318.77	5.28	-48.98
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810703	0	41	-1.0	-53.02	334.34	5.50	-47.52
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810704	0	45	-1.0	-61.03	400.40	2.28	-58.75
COCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810705	0	38	-1.0	-44.55	318.12	4.39	-40.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010810706	0	40	-1.0	-48.67	344.81	4.12	-44.55
CC(C)N(CC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010810707	0	42	-1.0	-62.20	319.84	10.38	-51.82
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1Cl	REAL300010810708	0	34	-1.0	-43.93	283.40	5.31	-38.62
CC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300010810709	0	36	-1.0	-42.33	322.11	5.77	-36.56
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010810710	0	42	-1.0	-43.83	368.04	3.60	-40.23
COC(=O)C1(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300010810711	0	44	-1.0	-46.23	361.38	7.29	-38.94
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010810712	0	35	-1.0	-56.97	323.89	6.12	-50.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010810713	0	34	-1.0	-51.96	291.13	3.31	-48.65
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010810714	0	39	-1.0	-53.96	310.87	6.14	-47.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010810715	0	37	-1.0	-65.76	312.37	6.78	-58.98
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010810716	0	44	-1.0	-65.76	358.34	6.07	-59.69
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300010810717	0	43	-1.0	-58.15	338.80	1.62	-56.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010810718	0	37	-1.0	-50.41	333.69	2.74	-47.67
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810719	0	40	-1.0	-53.65	348.13	6.30	-47.35
COCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810720	0	38	-1.0	-55.41	312.81	4.74	-50.67
CCC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300010810721	0	40	-1.0	-39.83	329.54	4.58	-35.25
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810722	0	44	-1.0	-53.61	371.00	6.44	-47.17
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010810723	0	32	-1.0	-50.89	288.85	5.20	-45.69
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810724	0	35	-1.0	-43.29	311.55	5.21	-38.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010810725	0	38	-1.0	-63.01	310.86	4.70	-58.31
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010810726	0	36	-1.0	-49.49	308.61	4.69	-44.80
CC(C)N(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010810727	0	51	-1.0	-63.07	383.66	6.29	-56.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010810728	0	45	-1.0	-38.76	352.65	4.77	-33.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010810729	0	42	-1.0	-42.03	358.26	5.31	-36.72
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300010810730	0	37	-1.0	-50.52	314.11	2.28	-48.24
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010810731	0	33	-1.0	-50.65	299.81	3.89	-46.76
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)SC=N1	REAL300010810732	0	33	-1.0	-63.66	298.97	2.95	-60.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810733	0	37	-1.0	-53.98	326.27	5.37	-48.61
CC(CN(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010813001	0	39	-1.0	-47.30	324.73	2.72	-44.58
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010813002	0	37	-1.0	-48.98	321.90	5.17	-43.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813003	0	37	-1.0	-53.29	315.94	6.07	-47.22
COCCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300010813004	0	38	-1.0	-47.40	325.56	2.56	-44.84
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Br	REAL300010813005	0	37	-1.0	-46.57	338.34	5.57	-41.00
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010813006	0	44	-1.0	-51.71	353.36	6.83	-44.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813007	0	41	-1.0	-55.47	335.14	6.01	-49.46
CC(CN(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010813008	0	36	-1.0	-58.26	317.91	4.74	-53.52
CC(CN(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010813009	0	38	-1.0	-51.11	326.37	6.07	-45.04
CC(CN(C)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010813010	0	45	-1.0	-51.09	385.78	6.51	-44.58
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813011	0	33	-1.0	-56.12	310.79	5.55	-50.57
CC(CN(C)S(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010813012	0	32	-1.0	-46.40	285.19	4.61	-41.79
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813013	0	45	-1.0	-50.93	374.92	5.44	-45.49
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813014	0	47	-1.0	-47.68	383.12	7.52	-40.16
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813015	0	33	-1.0	-57.49	299.83	7.01	-50.48
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1F	REAL300010813016	0	37	-1.0	-47.72	326.61	5.12	-42.60
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010813017	0	37	-1.0	-46.82	342.05	5.87	-40.95
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813018	0	41	-1.0	-54.68	345.66	5.05	-49.63
COC(=O)C1=CSC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813019	0	34	-1.0	-50.11	316.60	4.19	-45.92
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813020	0	43	-1.0	-48.82	349.98	6.36	-42.46
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1C	REAL300010813021	0	40	-1.0	-47.36	336.99	5.64	-41.72
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813022	0	37	-1.0	-55.28	324.59	5.10	-50.18
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010813023	0	41	-1.0	-49.84	323.88	7.69	-42.15
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813024	0	37	-1.0	-55.85	315.54	6.27	-49.58
CC(CN(C)S(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010813025	0	30	-1.0	-46.59	283.65	3.25	-43.34
CC(CN(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010813026	0	35	-1.0	-44.93	323.66	6.40	-38.53
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813027	0	45	-1.0	-51.53	386.72	2.85	-48.68
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010813028	0	31	-1.0	-49.26	294.29	5.11	-44.15
CC(CN(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010813029	0	38	-1.0	-57.77	330.78	2.29	-55.48
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813030	0	34	-1.0	-48.47	294.77	5.62	-42.85
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Br	REAL300010813031	0	35	-1.0	-47.34	317.20	4.42	-42.92
CC(CN(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010813032	0	42	-1.0	-47.63	343.27	6.21	-41.42
CC(CN(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010813033	0	39	-1.0	-53.35	345.20	1.21	-52.14
CCC(=O)NCC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1OC	REAL300010813034	0	48	-1.0	-52.01	398.19	3.61	-48.40
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813035	0	35	-1.0	-52.62	307.08	4.19	-48.43
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813036	0	40	-1.0	-53.81	348.55	2.84	-50.97
CC(CN(C)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010813037	0	33	-1.0	-47.47	313.48	4.30	-43.17
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813038	0	36	-1.0	-57.43	315.54	5.21	-52.22
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010813039	0	32	-1.0	-45.55	308.53	5.93	-39.62
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300010813040	0	38	-1.0	-52.46	339.05	5.34	-47.12
CC(CN(C)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010813041	0	36	-1.0	-49.58	320.31	0.03	-49.55
CC(CN(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010813042	0	45	-1.0	-50.60	378.20	6.34	-44.26
COC(=O)CC1(CS(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813043	0	40	-1.0	-50.66	334.38	5.17	-45.49
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813044	0	36	-1.0	-52.91	327.54	5.30	-47.61
CC(CN(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010813045	0	39	-1.0	-60.37	331.72	5.72	-54.65
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813046	0	47	-1.0	-56.86	403.73	3.61	-53.25
CC(CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010813047	0	37	-1.0	-54.65	302.92	0.70	-53.95
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010813048	0	41	-1.0	-50.61	346.37	5.32	-45.29
CC(CN(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010813049	0	36	-1.0	-58.06	317.40	4.62	-53.44
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300010813050	0	41	-1.0	-47.14	326.33	5.49	-41.65
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813051	0	39	-1.0	-62.40	343.90	0.62	-61.78
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813052	0	40	-1.0	-58.96	332.20	6.11	-52.85
CC(CN(C)S(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010813053	0	35	-1.0	-48.24	298.07	5.05	-43.19
CSC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813054	0	35	-1.0	-48.65	308.29	6.00	-42.65
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813055	0	43	-1.0	-48.80	366.22	7.36	-41.44
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010813056	0	37	-1.0	-52.49	322.57	4.08	-48.41
CC(CN(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813057	0	37	-1.0	-49.17	329.98	6.22	-42.95
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813058	0	42	-1.0	-48.44	335.10	6.70	-41.74
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010813059	0	30	-1.0	-44.26	287.49	3.67	-40.59
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010813060	0	37	-1.0	-54.49	306.84	4.22	-50.27
CC(CN(C)S(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010813061	0	36	-1.0	-51.12	297.32	4.61	-46.51
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813062	0	34	-1.0	-52.36	298.18	5.67	-46.69
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010813063	0	39	-1.0	-50.53	326.20	3.61	-46.92
CC(CN(C)S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010813064	0	47	-1.0	-55.61	383.23	5.91	-49.70
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300010813065	0	39	-1.0	-52.64	337.74	4.17	-48.47
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OCC	REAL300010813066	0	45	-1.0	-48.95	368.81	5.47	-43.48
CC(CN(C)S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010813067	0	37	-1.0	-50.12	313.26	3.97	-46.15
CC(CN(C)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010813068	0	36	-1.0	-53.04	322.34	-0.07	-53.11
CC(CN(C)S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010813069	0	42	-1.0	-52.43	345.09	5.56	-46.87
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300010813070	0	45	-1.0	-63.48	358.41	6.00	-57.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300010813071	0	39	-1.0	-45.32	323.52	6.40	-38.92
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813072	0	37	-1.0	-49.42	322.86	5.64	-43.78
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300010813073	0	42	-1.0	-53.56	345.06	6.00	-47.56
CNC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813074	0	38	-1.0	-53.38	323.72	3.21	-50.17
CC(CN(C)S(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010813075	0	35	-1.0	-53.87	302.60	1.75	-52.12
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2CC1C	REAL300010813076	0	45	-1.0	-53.02	361.26	6.55	-46.47
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=CS1	REAL300010813077	0	34	-1.0	-55.64	311.81	5.13	-50.51
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813078	0	34	-1.0	-50.79	317.50	4.32	-46.47
CC(CN(C)S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813079	0	35	-1.0	-52.46	323.02	5.61	-46.85
CCOC(=O)C1=CNN=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813080	0	37	-1.0	-61.51	322.68	3.02	-58.49
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010813081	0	37	-1.0	-57.02	326.20	1.55	-55.47
CC(CN(C)S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010813082	0	37	-1.0	-52.86	317.10	1.65	-51.21
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010813083	0	37	-1.0	-52.33	325.68	2.03	-50.30
CC1=CC2=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2N=C1	REAL300010813084	0	39	-1.0	-54.30	325.22	6.31	-47.99
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010813085	0	37	-1.0	-55.18	318.93	5.92	-49.26
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813086	0	35	-1.0	-47.30	305.91	5.33	-41.97
CC(CN(C)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010813087	0	35	-1.0	-50.95	304.80	5.28	-45.67
CC(CN(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010813088	0	36	-1.0	-62.34	321.45	-0.59	-62.93
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813089	0	37	-1.0	-60.42	322.08	5.10	-55.32
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010813090	0	43	-1.0	-54.11	379.75	2.75	-51.36
CC(CN(C)S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010813091	0	36	-1.0	-53.67	319.88	5.94	-47.73
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(Cl)=C1	REAL300010813092	0	34	-1.0	-50.19	298.38	5.70	-44.49
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010813093	0	37	-1.0	-60.29	325.13	0.94	-59.35
CC(CN(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010813094	0	37	-1.0	-54.83	327.99	2.46	-52.37
CC(CN(C)S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010813095	0	38	-1.0	-50.90	332.31	4.23	-46.67
CC(CN(C)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010813096	0	39	-1.0	-48.82	332.86	6.50	-42.32
CC(CN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010813097	0	40	-1.0	-50.00	326.72	5.85	-44.15
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CN=C12	REAL300010813098	0	39	-1.0	-50.32	315.37	5.86	-44.46
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010813099	0	37	-1.0	-54.01	320.81	4.93	-49.08
CC(CN(C)S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010813100	0	36	-1.0	-48.89	315.09	5.95	-42.94
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813101	0	39	-1.0	-60.56	329.44	7.54	-53.02
CCOC(=O)C1CCCN(S(=O)(=O)N(C)CC(C)C(=O)[O-])C1	REAL300010813102	0	45	-1.0	-47.83	361.20	5.68	-42.15
CC(CN(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010813103	0	35	-1.0	-50.93	313.27	4.25	-46.68
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010813104	0	42	-1.0	-51.14	361.88	2.43	-48.71
CC(CN(C)S(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010813105	0	31	-1.0	-44.07	283.13	5.18	-38.89
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813106	0	33	-1.0	-59.19	307.00	6.94	-52.25
CC(CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010813107	0	43	-1.0	-50.91	352.90	3.76	-47.15
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010813108	0	41	-1.0	-54.29	333.97	8.12	-46.17
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813109	0	40	-1.0	-59.76	343.02	6.00	-53.76
CCOC(=O)N1CCC(S(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813110	0	45	-1.0	-58.79	362.05	4.42	-54.37
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010813111	0	31	-1.0	-46.12	289.39	5.60	-40.52
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010813112	0	33	-1.0	-47.76	294.60	5.09	-42.67
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010813113	0	37	-1.0	-51.60	313.18	6.72	-44.88
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813114	0	38	-1.0	-55.96	323.65	3.81	-52.15
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813115	0	36	-1.0	-50.22	305.38	5.65	-44.57
CC(CN(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813116	0	33	-1.0	-60.44	286.89	6.70	-53.74
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813117	0	38	-1.0	-52.80	335.01	5.97	-46.83
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813118	0	38	-1.0	-48.16	318.63	5.16	-43.00
CC(CN(C)S(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010813119	0	37	-1.0	-54.07	313.05	3.68	-50.39
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813120	0	46	-1.0	-50.11	352.36	7.27	-42.84
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010813121	0	31	-1.0	-48.69	298.29	5.40	-43.29
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010813122	0	31	-1.0	-50.29	291.87	5.33	-44.96
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813123	0	34	-1.0	-52.86	306.35	5.47	-47.39
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813124	0	34	-1.0	-51.55	296.15	6.41	-45.14
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813125	0	34	-1.0	-50.74	319.19	5.87	-44.87
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010813126	0	34	-1.0	-49.90	314.20	5.82	-44.08
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010813127	0	31	-1.0	-49.42	289.87	5.03	-44.39
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=CO1	REAL300010813128	0	40	-1.0	-57.26	345.53	3.50	-53.76
CC(CN(C)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010813129	0	30	-1.0	-46.58	296.98	3.56	-43.02
COC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813130	0	35	-1.0	-53.16	304.60	4.11	-49.05
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010813131	0	40	-1.0	-59.34	353.71	7.20	-52.14
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813132	0	40	-1.0	-53.62	345.05	6.42	-47.20
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N2)C=C1	REAL300010813133	0	41	-1.0	-48.64	349.26	6.72	-41.92
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C21	REAL300010813134	0	42	-1.0	-66.14	345.86	6.03	-60.11
CC(CN(C)S(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010813135	0	32	-1.0	-46.06	293.88	4.93	-41.13
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010813136	0	45	-1.0	-56.83	365.62	4.62	-52.21
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010813137	0	39	-1.0	-53.07	343.42	5.68	-47.39
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010813138	0	36	-1.0	-47.06	310.58	5.61	-41.45
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010813139	0	45	-1.0	-47.80	381.33	7.53	-40.27
COC(=O)C1=COC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813140	0	34	-1.0	-49.66	305.68	3.70	-45.96
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300010813141	0	42	-1.0	-54.55	354.42	5.72	-48.83
CC(CN(C)S(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010813142	0	33	-1.0	-49.04	298.68	4.44	-44.60
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813143	0	41	-1.0	-53.42	345.52	5.59	-47.83
CC(=O)NC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1C	REAL300010813144	0	41	-1.0	-56.80	341.09	4.21	-52.59
CC(CN(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010813145	0	43	-1.0	-53.89	344.25	5.10	-48.79
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN=C1Cl	REAL300010813146	0	33	-1.0	-47.05	299.21	3.75	-43.30
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010813147	0	37	-1.0	-52.40	318.65	3.51	-48.89
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010813148	0	40	-1.0	-52.45	342.62	6.21	-46.24
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(OC)=C1	REAL300010813149	0	39	-1.0	-50.19	324.79	3.56	-46.63
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010813150	0	37	-1.0	-53.13	314.37	5.76	-47.37
CCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1CC	REAL300010813151	0	43	-1.0	-50.38	343.44	6.99	-43.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813152	0	39	-1.0	-46.31	315.64	6.41	-39.90
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C)O1	REAL300010813153	0	37	-1.0	-48.49	320.85	3.91	-44.58
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010813154	0	32	-1.0	-47.90	285.96	2.49	-45.41
COC(=O)C1=NSC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813155	0	33	-1.0	-54.46	301.93	3.63	-50.83
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(C)=C1F	REAL300010813156	0	37	-1.0	-45.60	312.84	6.30	-39.30
CC(CN(C)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010813157	0	39	-1.0	-66.98	326.88	2.92	-64.06
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1C	REAL300010813158	0	38	-1.0	-48.52	329.02	4.54	-43.98
CC(CN(C)S(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010813159	0	31	-1.0	-44.42	289.55	5.51	-38.91
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813160	0	42	-1.0	-54.40	348.98	6.26	-48.14
CC(CN(C)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010813161	0	34	-1.0	-50.60	314.43	5.76	-44.84
CC(CN(C)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010813162	0	36	-1.0	-51.59	310.42	0.59	-51.00
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813163	0	34	-1.0	-44.72	297.88	5.69	-39.03
CCOC(=O)C1CCCN1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813164	0	42	-1.0	-53.71	348.44	5.52	-48.19
CNC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1C	REAL300010813165	0	39	-1.0	-51.70	332.36	2.09	-49.61
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300010813166	0	41	-1.0	-47.77	316.73	5.02	-42.75
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010813167	0	39	-1.0	-54.99	334.80	3.98	-51.01
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813168	0	40	-1.0	-51.11	344.84	6.41	-44.70
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010813169	0	42	-1.0	-52.39	341.87	4.57	-47.82
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813170	0	40	-1.0	-52.40	344.84	5.82	-46.58
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])O1	REAL300010813171	0	37	-1.0	-49.71	328.09	4.69	-45.02
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010813172	0	42	-1.0	-49.36	350.03	9.08	-40.28
COC(=O)COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813173	0	41	-1.0	-54.53	353.95	5.90	-48.63
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813174	0	44	-1.0	-50.76	374.90	6.05	-44.71
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813175	0	41	-1.0	-52.77	326.43	5.08	-47.69
CC(CN(C)S(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010813176	0	35	-1.0	-50.06	304.48	4.79	-45.27
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813177	0	34	-1.0	-50.32	295.27	6.53	-43.79
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813178	0	33	-1.0	-52.12	309.87	7.22	-44.90
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813179	0	36	-1.0	-58.59	291.20	6.97	-51.62
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010813180	0	33	-1.0	-46.45	308.89	5.83	-40.62
CC(CN(C)S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010813181	0	28	-1.0	-47.83	286.01	4.41	-43.42
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010813182	0	35	-1.0	-48.88	299.24	4.68	-44.20
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010813183	0	39	-1.0	-48.47	315.82	5.96	-42.51
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010813184	0	33	-1.0	-54.46	304.46	3.86	-50.60
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010813185	0	39	-1.0	-49.15	329.67	3.64	-45.51
CC(CN(C)S(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010813186	0	36	-1.0	-50.77	298.26	4.78	-45.99
CC(CN(C)S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010813187	0	30	-1.0	-44.22	290.54	3.53	-40.69
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010813188	0	33	-1.0	-48.10	295.19	5.55	-42.55
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010813189	0	33	-1.0	-49.43	310.78	5.55	-43.88
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813190	0	40	-1.0	-54.79	347.61	3.42	-51.37
CCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010813191	0	36	-1.0	-50.21	311.34	5.45	-44.76
CC(CN(C)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813192	0	33	-1.0	-47.57	290.85	5.75	-41.82
CC(CN(C)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813193	0	33	-1.0	-43.99	301.91	5.67	-38.32
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010813194	0	38	-1.0	-52.13	338.20	5.14	-46.99
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813195	0	33	-1.0	-58.07	310.80	7.00	-51.07
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010813196	0	45	-1.0	-51.21	377.63	7.71	-43.50
CC(CN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010813197	0	46	-1.0	-55.97	339.62	5.94	-50.03
CC(CN(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010813198	0	39	-1.0	-59.12	339.62	1.58	-57.54
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813199	0	39	-1.0	-64.24	330.36	5.73	-58.51
CCOC(=O)N1CCN(S(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813200	0	44	-1.0	-47.99	361.09	3.59	-44.40
COC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010813201	0	40	-1.0	-53.90	345.71	5.65	-48.25
CC(CN(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010813202	0	41	-1.0	-48.21	352.66	6.53	-41.68
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813203	0	53	-1.0	-51.96	406.52	7.43	-44.53
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813204	0	37	-1.0	-54.14	333.32	5.57	-48.57
CC(CN(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010813205	0	39	-1.0	-52.95	341.66	1.68	-51.27
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010813206	0	37	-1.0	-51.67	332.38	1.99	-49.68
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(F)C=C1F	REAL300010813207	0	34	-1.0	-44.98	296.60	5.15	-39.83
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813208	0	38	-1.0	-51.01	330.50	5.59	-45.42
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300010813209	0	43	-1.0	-49.06	356.53	6.49	-42.57
CC1=CN(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2F)N=C1	REAL300010813210	0	41	-1.0	-49.28	350.99	6.46	-42.82
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813211	0	38	-1.0	-51.15	345.28	4.21	-46.94
CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813212	0	38	-1.0	-57.24	333.05	-0.73	-57.97
CC1=CC(F)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813213	0	34	-1.0	-51.91	296.57	5.17	-46.74
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813214	0	36	-1.0	-49.45	318.82	5.96	-43.49
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010813215	0	37	-1.0	-53.26	321.28	5.84	-47.42
CC(CN(C)S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010813216	0	28	-1.0	-47.18	290.17	4.57	-42.61
CC(CN(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010813217	0	43	-1.0	-52.52	362.35	6.42	-46.10
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010813218	0	31	-1.0	-51.25	290.08	5.05	-46.20
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010813219	0	37	-1.0	-45.61	321.70	5.97	-39.64
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010813220	0	37	-1.0	-51.82	338.64	5.71	-46.11
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300010813221	0	39	-1.0	-47.69	333.01	4.70	-42.99
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813222	0	38	-1.0	-52.10	335.82	5.08	-47.02
CC(CN(C)S(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010813223	0	34	-1.0	-49.57	318.44	5.85	-43.72
CC1=NOC2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300010813224	0	35	-1.0	-47.31	306.16	1.91	-45.40
CC(CN(C)S(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010813225	0	40	-1.0	-50.07	349.64	7.82	-42.25
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010813226	0	33	-1.0	-54.46	304.46	3.86	-50.60
CC(CN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010813227	0	33	-1.0	-50.43	306.82	5.59	-44.84
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813228	0	37	-1.0	-59.17	321.77	6.30	-52.87
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010813229	0	34	-1.0	-54.31	305.37	5.64	-48.67
CC(CN(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010813230	0	43	-1.0	-58.25	363.86	2.95	-55.30
CC(CN(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010813231	0	38	-1.0	-48.42	336.03	5.54	-42.88
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010813232	0	31	-1.0	-50.13	296.43	5.43	-44.70
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300010813233	0	39	-1.0	-53.12	341.09	4.39	-48.73
CC(CN(C)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010813234	0	39	-1.0	-49.23	339.31	1.98	-47.25
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1F	REAL300010813235	0	40	-1.0	-47.35	348.48	6.05	-41.30
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010813236	0	39	-1.0	-60.03	334.71	5.57	-54.46
CC(CN(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010813237	0	34	-1.0	-47.37	322.32	6.90	-40.47
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010813238	0	37	-1.0	-55.39	333.73	7.29	-48.10
CC(CN(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010813239	0	34	-1.0	-47.00	315.86	6.16	-40.84
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010813240	0	37	-1.0	-51.33	320.17	7.67	-43.66
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010813241	0	37	-1.0	-52.98	319.82	7.02	-45.96
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C2O1	REAL300010813242	0	45	-1.0	-51.63	379.29	7.19	-44.44
CC(CN(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010813243	0	37	-1.0	-54.15	331.48	1.97	-52.18
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010813244	0	44	-1.0	-56.82	374.69	6.01	-50.81
CC(CN(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010813245	0	42	-1.0	-58.67	368.08	1.54	-57.13
CC(CN(C)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010813246	0	32	-1.0	-51.08	295.91	5.06	-46.02
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1N(C)C	REAL300010813247	0	42	-1.0	-50.34	342.17	5.12	-45.22
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813248	0	36	-1.0	-46.28	316.82	6.00	-40.28
CC(CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010813249	0	34	-1.0	-48.04	303.79	4.98	-43.06
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813250	0	37	-1.0	-54.46	327.52	6.98	-47.48
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813251	0	43	-1.0	-47.46	335.05	5.25	-42.21
CC(CN(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010813252	0	37	-1.0	-64.31	327.99	1.97	-62.34
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010813253	0	47	-1.0	-52.12	386.84	2.12	-50.00
CCOC(=O)C1CCN(S(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813254	0	45	-1.0	-53.79	363.22	5.20	-48.59
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813255	0	39	-1.0	-56.48	327.02	6.45	-50.03
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010813256	0	46	-1.0	-51.00	388.31	3.56	-47.44
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813257	0	41	-1.0	-56.50	344.75	4.68	-51.82
CC(CN(C)S(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010813258	0	34	-1.0	-51.57	314.80	5.76	-45.81
CC(CN(C)S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813259	0	32	-1.0	-57.82	284.88	5.84	-51.98
COC(=O)C1=CC=CC=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813260	0	40	-1.0	-60.95	337.19	6.24	-54.71
CC(CN(C)S(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010813261	0	31	-1.0	-50.34	281.54	4.88	-45.46
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813262	0	50	-1.0	-55.86	386.34	8.99	-46.87
CC(CN(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010813263	0	34	-1.0	-52.74	318.58	6.15	-46.59
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813264	0	38	-1.0	-57.76	340.59	3.99	-53.77
CC(CN(C)S(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010813265	0	39	-1.0	-48.02	322.86	5.56	-42.46
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813266	0	35	-1.0	-50.76	321.36	4.68	-46.08
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813267	0	43	-1.0	-52.38	350.11	3.32	-49.06
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CS1	REAL300010813268	0	34	-1.0	-57.96	314.79	4.15	-53.81
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813269	0	40	-1.0	-58.93	354.41	7.24	-51.69
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010813270	0	42	-1.0	-48.61	373.56	8.33	-40.28
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300010813271	0	40	-1.0	-47.58	326.14	5.61	-41.97
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813272	0	33	-1.0	-43.68	316.80	6.23	-37.45
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813273	0	35	-1.0	-44.47	318.35	5.64	-38.83
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813274	0	43	-1.0	-47.45	341.05	5.43	-42.02
CC(CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813275	0	33	-1.0	-58.81	294.60	5.09	-53.72
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=C1	REAL300010813276	0	45	-1.0	-47.92	377.44	8.46	-39.46
COC1=CC=C(C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813277	0	38	-1.0	-53.53	312.41	5.07	-48.46
CC(CN(C)S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010813278	0	45	-1.0	-54.14	395.60	3.47	-50.67
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010813279	0	34	-1.0	-52.58	297.55	2.46	-50.12
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010813280	0	39	-1.0	-49.12	328.66	5.37	-43.75
CC(CN(C)S(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010813281	0	31	-1.0	-45.96	295.88	6.08	-39.88
COC(=O)C1CCN(S(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813282	0	42	-1.0	-49.86	339.95	4.66	-45.20
COC1=C(C)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813283	0	41	-1.0	-47.54	337.91	5.77	-41.77
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010813284	0	40	-1.0	-58.46	366.95	5.77	-52.69
COCC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813285	0	38	-1.0	-51.83	322.35	4.19	-47.64
CC(CN(C)S(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010813286	0	31	-1.0	-44.89	298.93	4.59	-40.30
CC(CN(C)S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010813287	0	40	-1.0	-59.06	347.64	6.31	-52.75
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010813288	0	37	-1.0	-48.60	333.11	5.65	-42.95
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010813289	0	37	-1.0	-51.64	348.96	6.15	-45.49
CC(CN(C)S(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010813290	0	34	-1.0	-51.77	308.20	2.68	-49.09
CC1=NC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2O1	REAL300010813291	0	36	-1.0	-50.93	309.76	2.09	-48.84
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813292	0	43	-1.0	-47.35	320.48	7.44	-39.91
CC1=CC(Br)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813294	0	31	-1.0	-48.43	301.62	5.44	-42.99
CC(CN(C)S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010813295	0	36	-1.0	-57.52	327.46	5.27	-52.25
CC1=C(Br)SC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300010813296	0	30	-1.0	-47.30	298.87	3.23	-44.07
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813297	0	36	-1.0	-46.61	308.88	5.66	-40.95
CC(CN(C)S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010813298	0	35	-1.0	-51.03	319.11	3.29	-47.74
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813299	0	36	-1.0	-56.06	308.87	6.16	-49.90
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813300	0	39	-1.0	-51.79	332.24	6.38	-45.41
CC(CN(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010813301	0	39	-1.0	-54.01	341.55	6.64	-47.37
CC1=NN2C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=NC2=C1Cl	REAL300010813302	0	36	-1.0	-47.39	326.09	4.90	-42.49
CCCCCCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(=O)NC1=O	REAL300010813303	0	49	-1.0	-59.73	398.90	5.60	-54.13
CC(CN(C)S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010813304	0	31	-1.0	-46.50	296.53	5.03	-41.47
CC(CN(C)S(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010813305	0	34	-1.0	-55.35	302.30	5.33	-50.02
CC(CN(C)S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010813306	0	42	-1.0	-51.05	347.93	6.49	-44.56
CC(CN(C)S(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010813307	0	35	-1.0	-55.24	318.91	5.64	-49.60
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010813308	0	36	-1.0	-44.47	319.72	6.30	-38.17
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813309	0	37	-1.0	-54.44	317.19	6.55	-47.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(OC)=C1	REAL300010813310	0	46	-1.0	-53.58	383.09	2.44	-51.14
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813311	1	46	-1.0	-49.49	379.37	2.00	-47.49
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813312	0	45	-1.0	-52.16	388.17	2.89	-49.27
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010813313	0	45	-1.0	-47.96	372.77	5.66	-42.30
CC(CN(C)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010813314	0	34	-1.0	-68.25	297.10	4.03	-64.22
CC1=CC=C(Br)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813315	0	34	-1.0	-53.92	300.01	5.58	-48.34
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813316	0	34	-1.0	-54.24	297.43	5.50	-48.74
CC(CN(C)S(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010813317	0	34	-1.0	-49.81	303.56	5.30	-44.51
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813318	0	42	-1.0	-52.38	366.67	2.09	-50.29
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010813319	0	30	-1.0	-50.62	279.78	3.62	-47.00
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=CC=C12	REAL300010813320	0	42	-1.0	-52.15	350.34	5.27	-46.88
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010813321	0	34	-1.0	-48.69	325.34	6.27	-42.42
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010813322	0	39	-1.0	-66.20	337.01	3.06	-63.14
CC(CN(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010813323	0	31	-1.0	-44.62	300.53	6.11	-38.51
CC(CN(C)S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010813324	0	30	-1.0	-43.88	288.41	3.77	-40.11
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300010813325	0	36	-1.0	-48.11	316.54	3.78	-44.33
CC(CN(C)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010813326	0	34	-1.0	-55.75	332.35	1.47	-54.28
CC(CN(C)S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010813327	0	50	-1.0	-58.98	423.39	5.50	-53.48
CC(CN(C)S(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010813328	0	39	-1.0	-49.27	320.08	5.05	-44.22
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813329	0	41	-1.0	-48.06	336.55	5.78	-42.28
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813330	0	45	-1.0	-57.90	403.86	2.15	-55.75
COCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813331	0	38	-1.0	-48.68	322.35	4.67	-44.01
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010813332	0	40	-1.0	-57.46	358.88	4.46	-53.00
CC(CN(C)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010813333	0	42	-1.0	-55.52	327.48	10.45	-45.07
CC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1Cl	REAL300010813334	0	34	-1.0	-47.72	292.80	5.37	-42.35
CC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Br	REAL300010813335	0	36	-1.0	-49.03	325.44	5.54	-43.49
CC(CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010813336	0	42	-1.0	-49.70	373.17	3.39	-46.31
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300010813337	0	44	-1.0	-50.79	365.62	7.56	-43.23
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010813338	0	35	-1.0	-51.15	328.17	5.96	-45.19
CC(CN(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010813339	0	40	-1.0	-57.57	337.52	8.74	-48.83
CC(CN(C)S(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010813340	0	34	-1.0	-47.03	291.85	3.62	-43.41
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010813341	0	39	-1.0	-58.41	322.12	6.52	-51.89
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010813342	0	37	-1.0	-56.31	320.63	6.41	-49.90
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010813343	0	44	-1.0	-59.16	353.37	5.99	-53.17
CC(CN(C)S(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010813344	0	43	-1.0	-53.40	342.67	1.57	-51.83
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010813345	0	37	-1.0	-45.85	334.42	3.03	-42.82
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813346	0	40	-1.0	-46.63	348.87	6.60	-40.03
COCC1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813347	0	38	-1.0	-48.32	315.28	5.12	-43.20
CCC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010813348	0	40	-1.0	-46.28	346.54	5.04	-41.24
CC(CN(C)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010813349	0	48	-1.0	-56.48	378.71	6.67	-49.81
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813350	0	44	-1.0	-48.70	373.58	6.62	-42.08
CC(CN(C)S(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010813351	0	32	-1.0	-45.29	297.51	5.51	-39.78
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813352	0	35	-1.0	-47.95	318.01	5.07	-42.88
CC(CN(C)S(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010813353	0	38	-1.0	-57.47	312.47	5.01	-52.46
CC(CN(C)S(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010813354	0	36	-1.0	-58.80	314.27	4.54	-54.26
CC(CN(C)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010813355	0	51	-1.0	-60.95	385.85	6.09	-54.86
CC(CN(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010813356	0	45	-1.0	-54.48	357.48	4.60	-49.88
CC(CN(C)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010813357	0	42	-1.0	-46.93	362.03	5.06	-41.87
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300010813358	0	37	-1.0	-45.86	314.84	2.57	-43.29
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010813359	0	33	-1.0	-47.19	300.54	4.18	-43.01
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])SC=N1	REAL300010813360	0	33	-1.0	-48.65	305.31	2.72	-45.93
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813361	0	37	-1.0	-49.82	327.60	5.64	-44.18
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816001	0	40	-1.0	-50.16	361.47	5.41	-44.75
COCC1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816002	0	38	-1.0	-49.82	324.95	3.88	-45.94
CCC1=C(S(=O)(=O)NCCCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010816003	0	40	-1.0	-52.77	357.64	4.10	-48.67
O=C([O-])CCCCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010816004	0	48	-1.0	-57.69	395.66	5.68	-52.01
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816005	0	44	-1.0	-50.64	389.38	5.35	-45.29
N#CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(Cl)=C1	REAL300010816006	0	32	-1.0	-50.71	300.83	4.20	-46.51
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816007	0	35	-1.0	-47.45	325.92	4.26	-43.19
O=C([O-])CCCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010816008	0	38	-1.0	-57.04	324.20	3.79	-53.25
O=C([O-])CCCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010816009	0	36	-1.0	-55.98	325.52	3.82	-52.16
O=C([O-])CCCCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010816010	0	51	-1.0	-57.93	402.52	5.50	-52.43
O=C([O-])CCCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010816011	0	45	-1.0	-55.46	371.81	4.02	-51.44
O=C([O-])CCCCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010816012	0	42	-1.0	-55.12	377.41	4.54	-50.58
CCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816013	0	37	-1.0	-49.43	327.45	1.39	-48.04
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010816014	0	33	-1.0	-50.85	313.15	2.99	-47.86
COC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])SC=N1	REAL300010816015	1	33	-1.0	-56.62	311.38	1.97	-54.65
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816016	0	37	-1.0	-51.87	339.60	4.48	-47.39
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010817001	0	39	-1.0	-47.32	346.67	5.47	-41.85
CC1(C)C2CCC1(CS(=O)(=O)NCCC(=O)[O-])C(=O)C2	REAL300010817002	0	40	-1.0	-51.57	314.62	4.54	-47.03
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817003	0	33	-1.0	-59.28	307.21	-1.36	-60.64
CCOC(=O)N1CCN(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300010817004	0	38	-1.0	-46.78	321.02	0.92	-45.86
COC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010817005	0	34	-1.0	-48.96	314.48	3.42	-45.54
O=C([O-])CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010817006	0	35	-1.0	-47.46	321.40	3.74	-43.72
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC(=O)[O-]	REAL300010817007	0	47	-1.0	-45.83	369.42	5.03	-40.80
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817008	0	31	-1.0	-50.03	306.61	3.59	-46.44
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817009	0	33	-1.0	-51.48	312.50	-1.19	-52.67
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1F	REAL300010817010	0	31	-1.0	-53.15	300.52	-0.27	-53.42
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817011	0	32	-1.0	-45.26	295.39	3.20	-42.06
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817012	0	37	-1.0	-48.23	326.14	3.72	-44.51
CC1=CN(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2F)N=C1	REAL300010817013	0	35	-1.0	-54.63	320.04	4.22	-50.41
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817014	0	32	-1.0	-48.49	308.94	1.12	-47.37
CC1=CC(Cl)=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817015	0	30	-1.0	-43.98	281.36	3.42	-40.56
CC1=C(S(=O)(=O)NCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010817016	0	31	-1.0	-48.76	289.18	3.46	-45.30
O=C([O-])CCNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010817017	0	22	-1.0	-42.14	252.54	2.02	-40.12
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010817018	0	37	-1.0	-49.48	329.14	4.17	-45.31
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010817019	0	25	-1.0	-46.74	254.98	2.56	-44.18
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(F)(F)F	REAL300010817020	0	31	-1.0	-48.20	289.84	3.71	-44.49
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010817021	0	31	-1.0	-50.99	308.25	2.92	-48.07
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817022	0	32	-1.0	-48.97	304.07	2.79	-46.18
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010817023	0	28	-1.0	-49.01	285.79	3.56	-45.45
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300010817024	0	36	-1.0	-50.86	352.24	-0.35	-51.21
O=C([O-])CCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010817025	0	34	-1.0	-47.85	316.97	5.03	-42.82
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010817026	0	27	-1.0	-47.27	280.11	3.60	-43.67
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817027	0	31	-1.0	-49.41	286.02	3.74	-45.67
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010817028	0	37	-1.0	-62.67	332.01	0.69	-61.98
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C2S1	REAL300010817029	0	39	-1.0	-47.66	359.83	3.81	-43.85
O=C([O-])CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010817030	0	32	-1.0	-46.65	305.17	2.70	-43.95
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010817031	0	25	-1.0	-44.54	258.38	2.86	-41.68
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817032	0	33	-1.0	-45.43	305.83	2.00	-43.43
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C21	REAL300010817033	0	33	-1.0	-45.77	305.09	-0.40	-46.17
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817034	0	34	-1.0	-49.65	328.47	4.52	-45.13
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(Br)C=C1F	REAL300010817035	0	31	-1.0	-45.33	311.14	3.62	-41.71
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1F	REAL300010817036	0	34	-1.0	-48.96	316.63	3.79	-45.17
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010817037	0	33	-1.0	-49.64	297.27	2.83	-46.81
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817038	0	42	-1.0	-48.84	373.84	1.95	-46.89
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010817039	0	28	-1.0	-46.44	291.06	4.12	-42.32
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010817040	0	31	-1.0	-44.36	299.26	4.93	-39.43
O=C([O-])CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010817041	0	28	-1.0	-48.07	278.18	3.59	-44.48
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010817042	0	31	-1.0	-49.33	282.01	4.98	-44.35
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010817043	0	31	-1.0	-49.64	293.11	5.05	-44.59
COC1=CC(Br)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817044	0	29	-1.0	-45.55	297.37	2.79	-42.76
O=C([O-])CCNS(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010817045	1	22	-1.0	-43.56	263.47	2.16	-41.40
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C2O1	REAL300010817046	0	39	-1.0	-51.38	348.90	4.43	-46.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817047	0	31	-1.0	-49.92	300.52	-0.27	-50.19
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817048	0	38	-1.0	-51.50	342.84	3.76	-47.74
O=C([O-])CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010817049	0	36	-1.0	-52.40	335.43	-0.75	-53.15
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817050	0	30	-1.0	-48.73	290.88	4.12	-44.61
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817051	0	31	-1.0	-47.42	296.17	4.20	-43.22
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817052	0	31	-1.0	-53.74	296.12	-0.29	-54.03
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010817053	0	41	-1.0	-50.25	355.11	-0.15	-50.40
CCOC(=O)C1CCN(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300010817054	0	39	-1.0	-47.46	330.02	2.94	-44.52
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010817055	0	40	-1.0	-56.25	357.35	1.32	-54.93
CCC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817056	0	35	-1.0	-50.70	312.06	1.89	-48.81
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817057	0	34	-1.0	-51.47	303.98	3.98	-47.49
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817058	0	44	-1.0	-55.27	366.59	5.27	-50.00
O=C([O-])CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010817059	0	28	-1.0	-48.35	286.08	3.80	-44.55
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817060	0	32	-1.0	-54.32	303.81	1.45	-52.87
COC1=CC(Cl)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817061	0	29	-1.0	-44.41	282.57	2.09	-42.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817062	0	37	-1.0	-50.91	323.35	1.18	-49.73
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817063	0	34	-1.0	-49.53	318.15	4.70	-44.83
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010817064	0	36	-1.0	-48.47	340.82	5.54	-42.93
COC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300010817065	0	34	-1.0	-48.21	299.92	3.50	-44.71
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010817066	0	27	-1.0	-42.85	284.93	3.48	-39.37
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817067	0	29	-1.0	-44.18	291.12	2.83	-41.35
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=C1	REAL300010817068	0	39	-1.0	-47.05	345.51	5.71	-41.34
CN(CCS(=O)(=O)NCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010817069	0	39	-1.0	-54.79	362.03	1.15	-53.64
O=C([O-])CCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010817070	0	25	-1.0	-44.26	263.19	3.29	-40.97
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300010817071	0	42	-1.0	-49.26	382.18	3.83	-45.43
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(C(=O)OC)S1	REAL300010817072	0	34	-1.0	-50.52	330.74	3.40	-47.12
O=C([O-])CCNS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010817073	0	25	-1.0	-52.00	267.48	2.28	-49.72
O=C([O-])CCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010817074	0	38	-1.0	-49.65	357.72	4.22	-45.43
O=C([O-])CCNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010817075	0	34	-1.0	-50.11	314.14	4.04	-46.07
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010817076	0	42	-1.0	-59.68	372.40	1.91	-57.77
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010817077	0	31	-1.0	-47.90	301.84	2.86	-45.04
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010817078	0	31	-1.0	-50.75	318.57	3.38	-47.37
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300010817079	0	31	-1.0	-54.28	323.14	3.47	-50.81
CC1=CC(Br)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817081	0	25	-1.0	-45.62	265.40	2.39	-43.23
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010817082	0	30	-1.0	-53.38	291.31	2.75	-50.63
CC1=C(Br)SC(S(=O)(=O)NCCC(=O)[O-])=N1	REAL300010817083	1	24	-1.0	-43.57	263.77	0.41	-43.16
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817084	0	30	-1.0	-49.29	282.85	3.78	-45.51
O=C([O-])CCNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010817085	0	29	-1.0	-46.34	288.19	1.06	-45.28
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010817086	0	33	-1.0	-57.36	300.34	4.08	-53.28
O=C([O-])CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010817087	0	33	-1.0	-50.52	308.89	4.36	-46.16
CC1=NN2C=C(S(=O)(=O)NCCC(=O)[O-])C=NC2=C1Cl	REAL300010817088	0	30	-1.0	-47.66	294.86	2.03	-45.63
CCCCCCN1C=C(S(=O)(=O)NCCC(=O)[O-])C(=O)NC1=O	REAL300010817089	0	43	-1.0	-59.39	366.41	2.80	-56.59
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCCC(=O)[O-])C=CC1=C23	REAL300010817091	0	36	-1.0	-50.53	321.27	4.10	-46.43
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010817092	0	30	-1.0	-43.98	288.48	3.50	-40.48
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817093	0	31	-1.0	-47.43	285.85	3.77	-43.66
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300010817094	0	43	-1.0	-50.61	372.23	0.43	-50.18
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300010817095	0	40	-1.0	-50.81	350.74	-0.35	-51.16
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817096	1	40	-1.0	-48.65	355.26	-0.55	-49.20
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817097	0	39	-1.0	-47.69	357.34	0.64	-47.05
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300010817098	0	29	-1.0	-43.05	297.85	2.72	-40.33
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010817099	0	39	-1.0	-54.34	341.31	3.39	-50.95
O=C([O-])CCNS(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010817100	0	28	-1.0	-45.04	291.35	1.01	-44.03
O=C([O-])CCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010817101	0	28	-1.0	-63.29	272.65	2.04	-61.25
CC1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817102	0	28	-1.0	-46.50	273.31	3.59	-42.91
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817103	0	36	-1.0	-47.81	335.84	-0.14	-47.95
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCCC(=O)[O-])C=CC=C12	REAL300010817104	0	36	-1.0	-48.36	322.08	3.23	-45.13
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010817105	0	35	-1.0	-46.88	330.89	6.23	-40.65
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010817106	0	28	-1.0	-47.05	292.63	3.97	-43.08
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817107	0	33	-1.0	-56.58	302.26	0.61	-55.97
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010817108	0	25	-1.0	-42.76	266.21	3.60	-39.16
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(Cl)S1	REAL300010817109	0	28	-1.0	-50.99	293.65	-1.12	-52.11
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817110	0	44	-1.0	-53.50	390.26	3.17	-50.33
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817111	0	39	-1.0	-53.65	370.73	-0.18	-53.83
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817112	0	34	-1.0	-54.76	324.57	2.13	-52.63
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817113	0	35	-1.0	-49.42	325.11	2.73	-46.69
CC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010817114	0	30	-1.0	-45.36	292.99	3.23	-42.13
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010817115	0	36	-1.0	-48.08	340.12	1.14	-46.94
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)CC1	REAL300010817116	0	38	-1.0	-49.89	333.75	4.82	-45.07
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817117	0	29	-1.0	-47.74	294.20	3.65	-44.09
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010817118	0	34	-1.0	-53.84	301.98	5.94	-47.90
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300010817119	0	38	-1.0	-58.18	328.41	3.59	-54.59
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010817120	0	31	-1.0	-45.07	304.03	0.28	-44.79
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817121	0	34	-1.0	-45.95	318.48	3.84	-42.11
CCC1=C(S(=O)(=O)NCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010817122	0	34	-1.0	-49.22	314.65	2.52	-46.70
O=C([O-])CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010817123	0	42	-1.0	-56.72	352.66	4.10	-52.62
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817124	0	38	-1.0	-48.01	346.37	3.79	-44.22
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817125	0	29	-1.0	-42.72	282.95	2.69	-40.03
O=C([O-])CCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010817126	0	45	-1.0	-54.95	359.52	3.93	-51.02
O=C([O-])CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010817127	0	42	-1.0	-55.09	365.45	4.49	-50.60
O=C([O-])CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010817128	0	39	-1.0	-50.69	328.81	2.44	-48.25
O=C([O-])CCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010817129	0	36	-1.0	-50.65	334.42	2.97	-47.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817130	0	31	-1.0	-48.89	296.60	2.91	-45.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010819001	0	37	-1.0	-62.74	320.60	4.19	-58.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010819002	0	36	-1.0	-56.86	329.30	0.10	-56.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010819003	0	42	-1.0	-49.35	353.68	6.30	-43.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O	REAL300010819004	0	45	-1.0	-60.20	368.04	6.76	-53.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300010819005	0	39	-1.0	-54.06	337.49	7.22	-46.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1	REAL300010819006	0	37	-1.0	-53.06	329.82	5.82	-47.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300010819007	0	42	-1.0	-59.53	354.24	6.20	-53.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NC)C=C1	REAL300010819008	0	38	-1.0	-57.51	331.49	3.44	-54.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010819009	0	35	-1.0	-57.63	309.56	1.94	-55.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O	REAL300010819010	0	45	-1.0	-57.00	370.91	6.78	-50.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1	REAL300010819011	0	34	-1.0	-65.00	317.99	5.47	-59.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)S1	REAL300010819012	0	34	-1.0	-42.13	323.90	4.95	-37.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010819013	0	35	-1.0	-42.49	332.55	6.38	-36.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=NNC=C1C(=O)OCC	REAL300010819014	0	37	-1.0	-53.70	327.83	3.83	-49.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010819015	0	37	-1.0	-43.00	332.46	2.18	-40.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010819016	0	37	-1.0	-44.87	326.62	2.41	-42.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010819017	0	37	-1.0	-55.33	339.30	3.06	-52.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300010819018	0	39	-1.0	-65.05	332.83	6.95	-58.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300010819019	0	37	-1.0	-45.89	316.97	5.77	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300010819020	0	35	-1.0	-44.05	315.73	5.59	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010819021	0	35	-1.0	-43.65	310.23	5.92	-37.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010819022	0	36	-1.0	-54.06	330.14	0.14	-53.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1	REAL300010819023	0	37	-1.0	-52.09	330.68	5.84	-46.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010819024	0	43	-1.0	-44.36	383.41	2.99	-41.37
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010819025	0	36	-1.0	-40.38	325.86	6.57	-33.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300010819026	0	34	-1.0	-46.18	298.03	5.88	-40.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010819027	0	37	-1.0	-59.83	330.45	1.54	-58.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010819028	0	37	-1.0	-59.11	335.76	2.67	-56.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010819029	0	38	-1.0	-53.98	340.58	4.41	-49.57
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010819030	0	39	-1.0	-55.60	340.28	6.63	-48.97
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010819031	0	40	-1.0	-51.96	329.54	6.31	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010819032	0	39	-1.0	-45.68	319.11	5.94	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010819033	0	37	-1.0	-57.44	329.08	5.11	-52.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010819034	0	36	-1.0	-54.89	322.78	6.64	-48.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300010819035	0	39	-1.0	-67.71	332.75	8.03	-59.68
CCCN(CC(=O)[O-])S(=O)(=O)N1CCCC(C(=O)OCC)C1	REAL300010819036	0	45	-1.0	-54.53	366.47	5.71	-48.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010819037	0	35	-1.0	-43.80	321.89	4.98	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010819038	0	42	-1.0	-59.66	371.30	3.11	-56.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010819039	0	31	-1.0	-39.22	287.13	5.51	-33.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010819040	0	33	-1.0	-63.18	312.35	7.34	-55.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010819041	0	43	-1.0	-64.34	361.50	4.47	-59.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010819042	0	41	-1.0	-59.72	343.21	8.89	-50.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OCC)=C1	REAL300010819043	0	40	-1.0	-52.07	352.54	6.77	-45.30
CCCN(CC(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC)CC1	REAL300010819044	0	45	-1.0	-61.95	366.31	5.03	-56.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010819045	0	31	-1.0	-50.51	296.36	5.77	-44.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010819046	0	33	-1.0	-49.36	303.28	5.82	-43.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010819047	0	37	-1.0	-55.03	320.88	7.42	-47.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010819048	0	38	-1.0	-61.19	331.12	4.06	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300010819049	0	36	-1.0	-53.40	311.65	6.26	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010819050	0	33	-1.0	-49.29	287.52	6.47	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300010819051	0	38	-1.0	-56.66	342.69	6.64	-50.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300010819052	0	38	-1.0	-53.45	326.40	5.37	-48.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010819053	0	37	-1.0	-48.75	320.39	4.34	-44.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300010819054	0	46	-1.0	-47.74	363.08	8.20	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010819055	0	31	-1.0	-41.55	307.82	6.16	-35.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010819056	0	31	-1.0	-52.01	298.69	5.94	-46.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010819057	0	34	-1.0	-44.94	314.96	6.22	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010819058	0	34	-1.0	-59.73	303.09	6.51	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010819059	0	34	-1.0	-42.18	327.81	6.61	-35.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010819060	0	34	-1.0	-51.88	320.92	6.45	-45.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010819061	0	31	-1.0	-41.66	298.48	5.75	-35.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300010819062	0	40	-1.0	-56.31	351.34	4.21	-52.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010819063	0	30	-1.0	-39.59	303.00	4.27	-35.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300010819064	0	35	-1.0	-55.10	311.36	4.72	-50.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300010819065	0	40	-1.0	-47.93	357.83	7.79	-40.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300010819066	0	40	-1.0	-59.52	352.02	6.60	-52.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300010819067	0	41	-1.0	-53.50	353.11	6.72	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300010819068	0	42	-1.0	-56.13	354.70	6.21	-49.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010819069	0	32	-1.0	-61.69	301.62	5.67	-56.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300010819070	0	45	-1.0	-54.06	379.53	4.69	-49.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010819071	0	39	-1.0	-42.00	349.67	6.31	-35.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300010819072	0	36	-1.0	-40.14	320.10	6.38	-33.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=C(C)C([N+](=O)[O-])=C1	REAL300010819073	0	45	-1.0	-49.73	389.88	7.76	-41.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300010819074	0	34	-1.0	-48.94	315.97	3.95	-44.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300010819075	0	42	-1.0	-56.19	363.38	5.90	-50.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010819076	0	33	-1.0	-52.72	307.01	4.63	-48.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300010819077	0	41	-1.0	-59.53	353.30	5.81	-53.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300010819078	0	41	-1.0	-53.40	350.76	4.99	-48.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010819079	0	43	-1.0	-49.55	350.11	5.73	-43.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300010819080	0	33	-1.0	-44.04	306.56	4.41	-39.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010819081	0	37	-1.0	-55.05	326.34	4.21	-50.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010819082	0	40	-1.0	-43.59	349.04	6.85	-36.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300010819083	0	39	-1.0	-55.37	333.95	3.75	-51.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010819084	0	37	-1.0	-56.58	324.11	6.53	-50.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300010819085	0	43	-1.0	-46.22	352.96	7.76	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300010819086	0	39	-1.0	-40.03	325.77	7.22	-32.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300010819087	0	37	-1.0	-46.75	327.80	4.56	-42.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010819088	0	32	-1.0	-50.21	297.54	3.06	-47.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300010819089	0	33	-1.0	-63.06	307.74	3.82	-59.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300010819090	0	37	-1.0	-50.97	318.17	6.26	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010819091	0	39	-1.0	-61.73	334.55	3.60	-58.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300010819092	0	38	-1.0	-60.06	336.72	5.24	-54.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010819093	0	31	-1.0	-48.55	298.11	5.73	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300010819094	0	42	-1.0	-47.76	358.51	7.03	-40.73
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010819095	0	34	-1.0	-39.26	320.24	6.45	-32.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010819096	0	36	-1.0	-55.87	317.57	1.30	-54.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300010819097	0	34	-1.0	-52.12	309.37	6.53	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)N1CCCC1C(=O)OCC	REAL300010819098	0	42	-1.0	-61.85	351.32	5.59	-56.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300010819099	0	39	-1.0	-55.85	339.50	2.79	-53.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300010819100	0	41	-1.0	-43.86	327.00	5.83	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010819101	0	39	-1.0	-58.52	348.06	5.03	-53.49
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010819102	0	40	-1.0	-43.98	352.46	6.55	-37.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010819103	0	42	-1.0	-55.24	350.47	5.29	-49.95
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300010819104	0	40	-1.0	-45.85	352.47	6.54	-39.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300010819105	0	37	-1.0	-49.81	332.55	4.65	-45.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010819106	0	42	-1.0	-54.94	355.36	9.04	-45.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1	REAL300010819107	0	41	-1.0	-58.99	360.91	6.07	-52.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300010819108	0	44	-1.0	-55.81	381.86	6.22	-49.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300010819109	0	41	-1.0	-55.58	341.19	6.01	-49.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010819110	0	35	-1.0	-62.80	313.32	5.53	-57.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010819111	0	34	-1.0	-57.90	302.87	6.65	-51.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010819112	0	33	-1.0	-61.70	317.38	7.49	-54.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300010819113	0	36	-1.0	-59.63	295.31	6.48	-53.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010819114	0	33	-1.0	-48.93	313.51	6.27	-42.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010819115	0	28	-1.0	-54.63	283.65	4.67	-49.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010819116	0	35	-1.0	-52.33	308.01	5.37	-46.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300010819117	0	39	-1.0	-55.09	316.39	6.17	-48.92
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010819118	0	33	-1.0	-57.74	310.30	4.52	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010819119	0	39	-1.0	-44.94	336.58	4.29	-40.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010819120	0	36	-1.0	-48.71	299.05	5.22	-43.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010819121	0	30	-1.0	-48.93	298.60	4.18	-44.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010819122	0	33	-1.0	-38.99	305.01	5.77	-33.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010819123	0	33	-1.0	-40.87	320.31	6.32	-34.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=NNC(C)=C1C(=O)OCC	REAL300010819124	0	40	-1.0	-60.12	354.46	3.76	-56.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300010819125	0	36	-1.0	-63.98	325.02	5.86	-58.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010819126	0	33	-1.0	-65.78	309.01	6.44	-59.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010819127	0	33	-1.0	-47.43	309.59	5.88	-41.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010819128	0	38	-1.0	-55.11	345.98	5.84	-49.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010819129	0	33	-1.0	-62.88	316.92	7.45	-55.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010819130	0	45	-1.0	-54.45	386.31	8.44	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010819131	0	46	-1.0	-52.76	353.67	7.53	-45.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010819132	0	39	-1.0	-50.29	350.32	1.81	-48.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300010819133	0	39	-1.0	-55.91	338.97	6.45	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(C(=O)OCC)CC1	REAL300010819134	0	44	-1.0	-54.16	358.41	3.76	-50.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300010819135	0	40	-1.0	-57.07	350.10	6.22	-50.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010819136	0	41	-1.0	-53.51	361.55	6.71	-46.80
CCCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300010819137	0	53	-1.0	-54.46	408.19	7.84	-46.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br	REAL300010819138	0	37	-1.0	-53.80	336.60	5.97	-47.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010819139	0	39	-1.0	-58.09	348.62	1.87	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010819140	0	37	-1.0	-44.35	340.99	2.74	-41.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300010819141	0	34	-1.0	-41.02	303.50	5.80	-35.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300010819142	0	38	-1.0	-56.13	339.17	6.29	-49.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010819143	0	43	-1.0	-54.27	365.66	6.69	-47.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300010819144	0	41	-1.0	-44.95	360.52	7.22	-37.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300010819145	0	38	-1.0	-56.83	348.99	4.21	-52.62
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300010819146	0	38	-1.0	-63.64	334.58	-0.31	-63.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300010819147	0	34	-1.0	-53.42	304.21	5.85	-47.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300010819148	0	36	-1.0	-52.00	326.48	6.65	-45.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300010819149	0	37	-1.0	-44.11	327.45	6.47	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010819150	0	28	-1.0	-48.80	292.59	4.98	-43.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010819151	0	43	-1.0	-56.23	364.65	7.01	-49.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010819152	0	31	-1.0	-53.72	298.79	5.76	-47.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300010819153	0	37	-1.0	-40.64	330.33	6.72	-33.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010819154	0	37	-1.0	-56.29	348.00	5.95	-50.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300010819155	0	39	-1.0	-44.61	342.24	4.91	-39.70
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300010819156	0	38	-1.0	-58.64	343.48	5.76	-52.88
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010819157	0	34	-1.0	-57.88	325.20	6.54	-51.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300010819158	0	35	-1.0	-41.92	315.71	2.18	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010819159	0	40	-1.0	-56.05	356.61	7.99	-48.06
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010819160	0	33	-1.0	-57.74	310.30	4.52	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010819161	0	33	-1.0	-49.53	310.10	5.98	-43.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300010819162	0	37	-1.0	-63.72	328.71	6.89	-56.83
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010819163	0	34	-1.0	-56.79	312.17	6.33	-50.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010819164	0	43	-1.0	-55.17	372.48	3.69	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010819165	0	38	-1.0	-41.24	343.65	5.69	-35.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010819166	0	31	-1.0	-51.85	303.25	6.04	-45.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300010819167	0	39	-1.0	-47.72	348.86	5.05	-42.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010819168	0	39	-1.0	-49.99	344.67	2.55	-47.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1	REAL300010819169	0	40	-1.0	-41.33	357.11	6.79	-34.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010819170	0	39	-1.0	-63.85	338.35	6.00	-57.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010819171	0	34	-1.0	-51.86	331.02	7.10	-44.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300010819172	0	37	-1.0	-46.52	339.00	7.95	-38.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010819173	0	34	-1.0	-42.74	313.62	6.50	-36.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010819174	0	37	-1.0	-48.92	323.30	8.06	-40.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010819175	0	37	-1.0	-62.59	333.09	8.09	-54.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1	REAL300010819176	0	45	-1.0	-49.37	389.43	7.43	-41.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010819177	0	37	-1.0	-46.21	340.99	2.74	-43.47
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010819178	0	44	-1.0	-50.36	383.30	6.75	-43.61
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010819179	0	42	-1.0	-47.60	373.91	2.24	-45.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010819180	0	32	-1.0	-41.35	304.87	5.85	-35.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300010819181	0	42	-1.0	-45.90	350.80	5.86	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300010819182	0	36	-1.0	-49.81	324.25	6.65	-43.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010819183	0	34	-1.0	-66.49	317.70	6.01	-60.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300010819184	0	37	-1.0	-62.31	339.41	7.34	-54.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300010819185	0	43	-1.0	-44.44	347.46	5.62	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010819186	0	37	-1.0	-58.12	336.61	2.71	-55.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300010819187	0	47	-1.0	-58.96	394.54	2.83	-56.13
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OCC)CC1	REAL300010819188	0	45	-1.0	-42.99	369.96	5.92	-37.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300010819189	0	39	-1.0	-50.88	323.31	6.79	-44.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010819190	0	46	-1.0	-59.77	396.90	4.28	-55.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)CC)C=C1	REAL300010819191	0	41	-1.0	-61.10	351.71	4.86	-56.24
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010819192	0	34	-1.0	-56.84	320.64	6.43	-50.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010819193	0	32	-1.0	-44.90	285.03	5.65	-39.25
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(=O)OC	REAL300010819194	0	40	-1.0	-63.86	343.12	6.94	-56.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010819195	0	31	-1.0	-52.19	288.33	5.49	-46.70
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CCC)CC(=O)[O-]	REAL300010819196	0	50	-1.0	-69.87	397.81	8.79	-61.08
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010819197	0	34	-1.0	-46.35	324.56	6.80	-39.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300010819198	0	38	-1.0	-57.49	347.63	4.66	-52.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010819199	0	39	-1.0	-53.17	332.03	5.76	-47.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300010819200	0	35	-1.0	-52.77	334.08	5.70	-47.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300010819201	0	43	-1.0	-53.11	354.92	3.63	-49.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300010819202	0	34	-1.0	-53.59	322.49	4.85	-48.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300010819203	0	40	-1.0	-62.97	359.73	7.83	-55.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010819204	0	42	-1.0	-45.05	381.30	8.54	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300010819205	0	40	-1.0	-57.82	340.77	6.50	-51.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010819206	0	33	-1.0	-47.14	324.48	6.44	-40.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300010819207	0	35	-1.0	-49.02	327.90	5.95	-43.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300010819208	0	43	-1.0	-44.80	350.61	5.64	-39.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010819209	0	33	-1.0	-49.20	304.12	5.86	-43.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300010819210	0	45	-1.0	-45.89	386.00	8.70	-37.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300010819211	0	38	-1.0	-58.71	321.11	5.77	-52.94
CCCN(CC(=O)[O-])S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010819212	0	45	-1.0	-47.10	400.50	4.14	-42.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010819213	0	34	-1.0	-56.29	306.70	2.66	-53.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010819214	0	39	-1.0	-54.86	334.44	5.38	-49.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010819215	0	31	-1.0	-50.42	302.84	6.25	-44.17
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300010819216	0	42	-1.0	-54.64	343.87	4.79	-49.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300010819217	0	41	-1.0	-53.15	344.72	5.80	-47.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300010819218	0	40	-1.0	-61.99	368.46	6.05	-55.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300010819219	0	38	-1.0	-46.11	330.97	4.92	-41.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010819220	0	31	-1.0	-55.12	306.74	5.24	-49.88
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010819221	0	40	-1.0	-59.83	353.55	7.02	-52.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010819222	0	37	-1.0	-46.05	342.36	5.88	-40.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010819223	0	37	-1.0	-55.93	358.32	6.40	-49.53
CCCN(CC(=O)[O-])S(=O)(=O)CCOCC(F)(F)F	REAL300010819224	0	34	-1.0	-54.91	309.67	3.13	-51.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300010819225	0	36	-1.0	-46.49	319.59	2.86	-43.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300010819226	0	43	-1.0	-41.86	326.18	7.81	-34.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C)S1	REAL300010819228	0	31	-1.0	-54.42	305.51	5.47	-48.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010819229	0	36	-1.0	-44.81	334.39	5.92	-38.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC(C)=C(Br)S1	REAL300010819230	0	30	-1.0	-51.38	299.40	3.35	-48.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300010819231	0	36	-1.0	-50.01	316.32	6.30	-43.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010819232	0	35	-1.0	-45.38	328.60	4.05	-41.33
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010819233	0	36	-1.0	-66.73	316.64	6.94	-59.79
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010819234	0	39	-1.0	-47.48	338.82	7.06	-40.42
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010819235	0	39	-1.0	-58.74	348.30	7.33	-51.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300010819236	0	36	-1.0	-49.11	331.62	4.89	-44.22
CCCCCCN1C=C(S(=O)(=O)N(CCC)CC(=O)[O-])C(=O)NC1=O	REAL300010819237	0	49	-1.0	-57.13	404.00	6.33	-50.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010819238	0	31	-1.0	-37.09	302.89	5.67	-31.42
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010819239	0	34	-1.0	-49.27	308.28	5.95	-43.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010819240	0	42	-1.0	-46.35	347.80	6.65	-39.70
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010819241	0	35	-1.0	-59.54	324.77	6.30	-53.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300010819242	0	36	-1.0	-48.36	328.03	6.47	-41.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300010819243	0	37	-1.0	-62.12	329.08	6.90	-55.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300010819244	0	46	-1.0	-52.78	393.79	2.71	-50.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300010819245	1	46	-1.0	-46.69	390.30	2.66	-44.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1	REAL300010819246	0	45	-1.0	-43.60	397.81	3.64	-39.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010819247	0	45	-1.0	-42.92	381.77	6.40	-36.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010819248	0	34	-1.0	-72.27	293.56	4.27	-68.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300010819249	0	34	-1.0	-52.80	303.67	6.01	-46.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300010819250	0	34	-1.0	-55.30	303.59	6.12	-49.18
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010819251	0	34	-1.0	-58.28	310.32	5.98	-52.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300010819252	0	42	-1.0	-43.64	376.31	2.85	-40.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010819253	0	30	-1.0	-53.97	288.11	4.41	-49.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12	REAL300010819254	0	42	-1.0	-44.84	348.56	5.67	-39.17
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010819255	0	34	-1.0	-55.48	332.03	6.96	-48.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010819256	0	39	-1.0	-74.84	351.31	3.41	-71.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010819257	0	31	-1.0	-38.50	304.31	6.56	-31.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010819258	0	30	-1.0	-38.81	293.07	4.08	-34.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300010819259	0	36	-1.0	-51.06	325.74	3.97	-47.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010819260	0	34	-1.0	-56.32	339.05	2.11	-54.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010819261	0	50	-1.0	-48.76	430.90	6.18	-42.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010819262	0	39	-1.0	-53.66	328.67	5.78	-47.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300010819263	0	41	-1.0	-53.28	344.32	6.00	-47.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300010819264	0	45	-1.0	-50.52	411.37	2.83	-47.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300010819265	0	38	-1.0	-54.51	330.13	4.88	-49.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010819266	0	40	-1.0	-56.88	360.50	4.71	-52.17
CCCN(CC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010819267	0	42	-1.0	-43.53	321.06	10.70	-32.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300010819268	0	34	-1.0	-57.45	306.95	6.43	-51.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300010819269	0	36	-1.0	-42.29	334.96	6.30	-35.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010819270	0	42	-1.0	-55.80	380.31	4.09	-51.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300010819271	0	44	-1.0	-55.95	373.31	7.77	-48.18
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010819272	0	35	-1.0	-57.17	333.62	6.64	-50.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010819273	0	40	-1.0	-65.09	342.13	8.94	-56.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010819274	0	34	-1.0	-51.77	301.02	3.81	-47.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300010819275	0	39	-1.0	-62.67	322.37	6.57	-56.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010819276	0	37	-1.0	-64.40	324.57	7.27	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21	REAL300010819277	0	44	-1.0	-50.18	353.32	5.82	-44.36
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300010819278	0	43	-1.0	-57.85	348.51	2.14	-55.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010819279	0	37	-1.0	-49.97	343.61	3.19	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1	REAL300010819280	0	40	-1.0	-53.05	358.01	6.79	-46.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300010819281	0	38	-1.0	-55.50	319.71	5.13	-50.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1	REAL300010819282	0	40	-1.0	-45.00	339.67	4.99	-40.01
CCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010819283	0	48	-1.0	-61.49	383.00	6.82	-54.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC	REAL300010819284	0	44	-1.0	-51.78	383.12	6.90	-44.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010819285	0	32	-1.0	-42.71	297.12	5.58	-37.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300010819286	0	35	-1.0	-51.95	326.69	5.78	-46.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010819287	0	38	-1.0	-56.43	322.28	5.23	-51.20
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010819288	0	36	-1.0	-59.78	321.93	5.22	-54.56
CCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010819289	0	51	-1.0	-49.22	386.95	6.62	-42.60
CCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010819290	0	45	-1.0	-58.96	365.11	5.27	-53.69
CCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010819291	0	42	-1.0	-60.06	370.72	5.80	-54.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300010819292	0	37	-1.0	-50.15	324.04	2.72	-47.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010819293	0	33	-1.0	-50.03	309.74	4.37	-45.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300010819294	0	33	-1.0	-62.85	311.41	3.53	-59.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1	REAL300010819295	0	37	-1.0	-53.49	336.15	5.87	-47.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=N1	REAL300010820001	0	33	-1.0	-54.07	310.52	4.39	-49.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010820002	0	30	-1.0	-41.67	302.34	4.87	-36.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010820003	0	35	-1.0	-60.38	325.26	4.50	-55.88
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010820004	0	35	-1.0	-53.13	315.52	6.49	-46.64
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010820005	0	35	-1.0	-52.73	325.84	6.94	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010820006	0	40	-1.0	-55.19	355.98	4.76	-50.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010820007	0	38	-1.0	-46.15	321.73	6.93	-39.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300010820008	0	34	-1.0	-55.81	322.50	6.89	-48.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010820009	0	35	-1.0	-40.02	322.76	4.89	-35.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300010820010	0	38	-1.0	-62.58	324.11	5.61	-56.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(=O)OC)=C1	REAL300010820011	0	44	-1.0	-49.41	379.82	6.82	-42.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1	REAL300010820012	0	44	-1.0	-58.67	370.51	7.44	-51.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300010820013	0	37	-1.0	-51.79	336.64	3.48	-48.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC	REAL300010820014	0	37	-1.0	-57.93	344.90	7.37	-50.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC=C1C(=O)OC	REAL300010820015	0	36	-1.0	-51.11	309.86	4.61	-46.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC	REAL300010820016	0	37	-1.0	-64.76	322.32	6.58	-58.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010820017	0	36	-1.0	-56.78	312.18	5.67	-51.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1I	REAL300010820018	0	31	-1.0	-43.84	283.50	5.68	-38.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1OCC	REAL300010820019	0	37	-1.0	-52.03	318.94	4.66	-47.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1	REAL300010820020	0	42	-1.0	-53.14	371.56	6.15	-46.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300010820021	0	39	-1.0	-53.83	328.50	6.80	-47.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=NS1	REAL300010820022	0	27	-1.0	-39.31	278.38	3.56	-35.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010820023	0	33	-1.0	-53.39	311.34	3.65	-49.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1C	REAL300010820024	0	33	-1.0	-40.56	299.11	4.44	-36.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010820025	0	33	-1.0	-44.78	297.29	4.72	-40.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300010820026	0	31	-1.0	-40.48	293.69	5.31	-35.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010820027	0	33	-1.0	-60.79	305.18	4.20	-56.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010820028	0	38	-1.0	-57.01	344.79	6.02	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300010820029	0	44	-1.0	-59.64	360.90	7.32	-52.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010820030	1	36	-1.0	-57.08	322.97	4.28	-52.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010820031	0	38	-1.0	-53.96	308.14	7.90	-46.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010820032	0	31	-1.0	-48.37	258.26	3.75	-44.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010820033	0	32	-1.0	-49.76	281.80	6.33	-43.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010820034	0	32	-1.0	-51.44	265.26	5.71	-45.73
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820035	0	44	-1.0	-57.89	318.88	8.19	-49.70
COC(=O)CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820036	0	41	-1.0	-59.16	328.18	6.18	-52.98
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820037	0	38	-1.0	-54.09	302.33	6.52	-47.57
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820038	0	41	-1.0	-54.08	336.24	7.30	-46.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010820039	0	32	-1.0	-47.40	278.32	6.09	-41.31
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820040	0	38	-1.0	-47.41	316.44	6.43	-40.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820041	0	44	-1.0	-54.98	335.94	8.03	-46.95
CC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820042	0	41	-1.0	-55.02	319.88	7.64	-47.38
CCC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820043	0	44	-1.0	-54.91	338.31	8.30	-46.61
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820044	0	43	-1.0	-56.29	355.25	3.71	-52.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010820045	0	36	-1.0	-55.33	296.41	2.49	-52.84
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820046	0	42	-1.0	-57.07	341.55	4.73	-52.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010820047	0	34	-1.0	-43.01	291.34	6.27	-36.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010820048	0	32	-1.0	-60.52	286.92	7.08	-53.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010820049	0	29	-1.0	-48.59	271.40	5.34	-43.25
CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820050	0	41	-1.0	-55.00	324.03	7.93	-47.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010820051	0	32	-1.0	-46.44	284.40	6.21	-40.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010820052	0	36	-1.0	-50.03	310.85	5.66	-44.37
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820053	0	43	-1.0	-53.61	345.27	3.97	-49.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010820054	0	32	-1.0	-43.92	281.58	5.90	-38.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010820055	0	32	-1.0	-48.49	293.22	6.73	-41.76
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010820056	0	32	-1.0	-51.64	263.03	5.62	-46.02
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820057	0	44	-1.0	-58.96	369.26	7.00	-51.96
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820058	0	44	-1.0	-63.20	357.93	7.50	-55.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010820059	0	32	-1.0	-63.05	269.12	6.11	-56.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010820060	0	31	-1.0	-52.71	272.58	4.29	-48.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010820061	0	32	-1.0	-46.90	279.21	5.99	-40.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010820062	0	35	-1.0	-51.91	301.78	7.27	-44.64
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010820063	0	35	-1.0	-51.57	300.43	6.87	-44.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1NC(C)=O	REAL300010820064	0	43	-1.0	-70.83	344.35	4.04	-66.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010820065	0	36	-1.0	-51.15	305.63	5.50	-45.65
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300010820066	0	47	-1.0	-62.17	338.14	8.87	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010820067	0	41	-1.0	-52.99	323.77	5.64	-47.35
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820068	0	37	-1.0	-63.97	304.67	6.88	-57.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010820069	0	29	-1.0	-48.66	276.01	5.44	-43.22
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010820070	0	38	-1.0	-56.72	320.88	8.21	-48.51
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820071	0	36	-1.0	-58.33	312.58	6.11	-52.22
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820072	0	50	-1.0	-60.17	368.01	9.68	-50.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010820073	0	48	-1.0	-54.56	361.48	9.52	-45.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010820074	0	35	-1.0	-49.56	298.38	6.71	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010820075	0	42	-1.0	-56.17	323.40	8.18	-47.99
COC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820076	0	40	-1.0	-64.16	320.74	4.78	-59.38
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010820077	0	40	-1.0	-53.77	319.67	4.89	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010820078	0	42	-1.0	-51.27	356.86	5.30	-45.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010820079	0	39	-1.0	-58.02	306.20	7.59	-50.43
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820080	0	39	-1.0	-54.14	334.88	3.82	-50.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010820081	0	40	-1.0	-56.57	317.30	8.00	-48.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010820082	0	32	-1.0	-54.42	275.44	5.85	-48.57
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820083	0	42	-1.0	-52.52	332.10	5.06	-47.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010820084	0	29	-1.0	-49.34	283.85	5.74	-43.60
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820085	0	47	-1.0	-54.86	363.10	9.22	-45.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010820086	0	38	-1.0	-57.27	292.90	7.37	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010820087	0	42	-1.0	-56.37	333.80	9.12	-47.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010820088	0	35	-1.0	-45.25	301.83	6.59	-38.66
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820089	0	35	-1.0	-54.21	283.14	6.28	-47.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010820090	0	32	-1.0	-53.36	302.38	7.58	-45.78
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820091	0	47	-1.0	-54.86	350.07	8.50	-46.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820092	0	35	-1.0	-55.97	296.13	6.77	-49.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010820093	0	32	-1.0	-46.16	279.66	5.86	-40.30
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820094	0	35	-1.0	-52.48	283.77	6.16	-46.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010820095	0	32	-1.0	-48.56	296.00	6.45	-42.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010820096	0	35	-1.0	-53.50	307.78	6.78	-46.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010820097	0	32	-1.0	-45.98	289.40	6.15	-39.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010820098	0	32	-1.0	-46.97	275.09	5.60	-41.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010820099	0	33	-1.0	-45.17	276.93	4.07	-41.10
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820100	0	35	-1.0	-50.98	287.65	6.39	-44.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010820101	0	35	-1.0	-44.68	305.24	6.76	-37.92
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010820102	0	37	-1.0	-61.23	295.63	6.58	-54.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010820103	0	35	-1.0	-51.59	291.44	6.82	-44.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010820104	0	43	-1.0	-56.67	366.22	9.17	-47.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010820105	0	32	-1.0	-47.95	278.59	5.96	-41.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010820106	0	32	-1.0	-45.77	271.58	5.75	-40.02
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820107	0	38	-1.0	-49.39	312.28	6.06	-43.33
CC1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820108	0	35	-1.0	-55.32	290.45	6.45	-48.87
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820109	0	36	-1.0	-49.56	296.66	5.06	-44.50
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820110	0	35	-1.0	-58.10	287.38	6.40	-51.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010820111	0	32	-1.0	-55.43	275.55	6.19	-49.24
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010820112	0	32	-1.0	-53.05	287.95	6.35	-46.70
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)C=C1	REAL300010820113	0	47	-1.0	-54.26	378.02	7.87	-46.39
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820114	0	39	-1.0	-58.71	330.43	5.22	-53.49
CN(C1CCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820115	0	43	-1.0	-52.68	314.19	6.01	-46.67
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010820116	0	48	-1.0	-56.95	362.33	8.34	-48.61
N#CC1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820117	0	36	-1.0	-57.36	307.48	6.79	-50.57
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010820118	0	35	-1.0	-60.10	304.65	7.66	-52.44
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010820119	0	35	-1.0	-48.08	318.55	7.38	-40.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010820120	0	42	-1.0	-57.24	320.75	6.69	-50.55
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010820121	0	39	-1.0	-49.44	311.34	3.17	-46.27
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010820122	0	40	-1.0	-52.69	322.77	3.09	-49.60
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820123	0	37	-1.0	-49.08	291.70	6.48	-42.60
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820124	0	39	-1.0	-60.16	318.24	4.37	-55.79
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820125	0	37	-1.0	-46.63	286.31	6.32	-40.31
CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010820126	0	32	-1.0	-62.41	279.18	5.89	-56.52
CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820127	0	35	-1.0	-56.98	288.49	6.42	-50.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820128	0	38	-1.0	-58.03	332.20	6.85	-51.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010820129	0	31	-1.0	-56.65	278.78	5.15	-51.50
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820130	0	41	-1.0	-68.67	344.67	3.92	-64.75
CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820131	0	39	-1.0	-56.34	322.25	4.69	-51.65
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010820132	0	46	-1.0	-68.45	353.03	7.40	-61.05
CS(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820133	0	37	-1.0	-63.64	311.85	1.72	-61.92
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300010820134	0	42	-1.0	-52.98	321.69	6.14	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010820135	0	32	-1.0	-52.61	280.12	6.08	-46.53
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010820136	0	43	-1.0	-51.80	343.98	5.20	-46.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010820137	0	35	-1.0	-51.24	307.92	7.03	-44.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010820138	0	32	-1.0	-51.53	297.08	6.77	-44.76
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820139	0	45	-1.0	-63.27	363.35	5.50	-57.77
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820140	0	46	-1.0	-65.53	373.47	4.51	-61.02
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820141	0	40	-1.0	-50.69	317.46	7.79	-42.90
CC(C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820142	0	44	-1.0	-55.21	340.79	8.40	-46.81
COCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820143	0	42	-1.0	-54.66	336.21	6.22	-48.44
COCCN(CCOC)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820144	0	44	-1.0	-50.95	331.22	2.79	-48.16
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820145	0	35	-1.0	-52.10	293.47	6.72	-45.38
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820146	0	48	-1.0	-54.11	371.54	8.04	-46.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010820147	0	46	-1.0	-54.93	354.97	7.96	-46.97
CC(C)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820148	0	45	-1.0	-54.55	352.58	7.43	-47.12
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820149	0	42	-1.0	-52.93	332.48	6.74	-46.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820150	0	36	-1.0	-49.97	306.46	5.55	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010820151	0	36	-1.0	-52.96	316.22	5.82	-47.14
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820152	0	39	-1.0	-54.37	310.48	5.74	-48.63
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300010820153	0	45	-1.0	-54.53	350.49	7.30	-47.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010820154	0	39	-1.0	-54.72	293.23	5.16	-49.56
COCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820155	0	43	-1.0	-57.61	344.60	5.21	-52.40
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010820156	0	35	-1.0	-53.41	291.94	6.43	-46.98
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820157	0	43	-1.0	-56.02	351.24	5.37	-50.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010820158	0	47	-1.0	-58.51	365.81	5.21	-53.30
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=C1	REAL300010820159	0	35	-1.0	-51.55	286.74	6.38	-45.17
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820160	0	38	-1.0	-65.15	332.68	3.46	-61.69
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820161	0	38	-1.0	-60.58	320.01	7.35	-53.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010820162	0	37	-1.0	-59.36	300.66	6.08	-53.28
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820163	0	36	-1.0	-60.67	297.97	6.30	-54.37
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820164	0	36	-1.0	-50.62	284.20	6.20	-44.42
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820165	0	33	-1.0	-46.05	283.19	5.86	-40.19
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820166	0	36	-1.0	-45.18	315.48	6.86	-38.32
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC	REAL300010820167	0	42	-1.0	-52.23	343.02	6.39	-45.84
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820168	0	41	-1.0	-51.96	332.18	6.92	-45.04
COC(=O)CCN(C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820169	0	39	-1.0	-56.93	304.40	4.13	-52.80
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820170	0	42	-1.0	-56.13	332.08	1.24	-54.89
CN(C1CCOCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820171	0	41	-1.0	-45.20	304.76	3.55	-41.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010820172	0	41	-1.0	-69.41	328.30	5.78	-63.63
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010820173	0	41	-1.0	-60.37	333.76	6.85	-53.52
CCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820174	0	41	-1.0	-53.49	318.66	5.72	-47.77
CC(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820175	0	38	-1.0	-57.93	305.69	4.72	-53.21
CC(C)CN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820176	0	41	-1.0	-65.14	326.25	7.61	-57.53
CC(C)N1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820177	0	38	-1.0	-64.86	307.13	6.74	-58.12
CC(C)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300010820178	0	38	-1.0	-53.33	304.68	4.08	-49.25
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820179	0	44	-1.0	-55.81	311.00	8.12	-47.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010820180	0	45	-1.0	-58.04	356.08	7.96	-50.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820181	0	40	-1.0	-70.81	326.86	5.07	-65.74
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1Cl	REAL300010820182	0	39	-1.0	-64.57	345.67	5.73	-58.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010820183	0	39	-1.0	-54.41	325.95	6.92	-47.49
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010820184	0	38	-1.0	-44.09	328.94	6.12	-37.97
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010820185	0	36	-1.0	-47.28	307.06	5.44	-41.84
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010820186	0	42	-1.0	-57.22	345.01	7.03	-50.19
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Br)O1	REAL300010820187	0	35	-1.0	-51.40	311.51	4.60	-46.80
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(Br)S1	REAL300010820188	0	32	-1.0	-53.80	278.55	5.61	-48.19
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1	REAL300010820189	0	36	-1.0	-64.79	304.36	4.05	-60.74
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820190	0	33	-1.0	-51.44	297.13	6.49	-44.95
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820191	0	40	-1.0	-47.81	299.79	7.48	-40.33
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820192	0	38	-1.0	-60.99	326.65	6.60	-54.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820193	0	41	-1.0	-66.18	337.44	3.72	-62.46
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010820194	0	36	-1.0	-51.69	305.91	7.11	-44.58
N#CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010820195	0	33	-1.0	-53.68	297.17	6.49	-47.19
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820196	0	48	-1.0	-59.78	370.42	7.43	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010820197	0	43	-1.0	-72.98	348.99	5.68	-67.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010820198	0	44	-1.0	-56.53	368.64	3.56	-52.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820199	0	40	-1.0	-56.85	336.26	1.88	-54.97
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820200	0	42	-1.0	-61.20	356.07	4.60	-56.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010820201	0	35	-1.0	-56.43	301.47	5.11	-51.32
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820202	0	38	-1.0	-52.12	319.83	5.20	-46.92
CC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820203	0	34	-1.0	-53.45	286.92	3.89	-49.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010820204	0	34	-1.0	-69.99	286.35	7.60	-62.39
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010820205	0	35	-1.0	-49.86	320.13	7.45	-42.41
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)N1	REAL300010820206	0	45	-1.0	-56.05	360.43	6.55	-49.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010820207	0	32	-1.0	-56.59	275.48	6.12	-50.47
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)=CS1	REAL300010820208	0	38	-1.0	-56.51	341.91	6.28	-50.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010820209	0	52	-1.0	-52.57	394.21	9.33	-43.24
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010820210	0	42	-1.0	-54.33	357.75	5.29	-49.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010820211	0	32	-1.0	-49.78	288.28	6.81	-42.97
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820212	0	41	-1.0	-61.97	331.44	6.86	-55.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010820213	0	34	-1.0	-58.36	293.11	7.33	-51.03
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010820214	0	40	-1.0	-53.78	327.67	4.99	-48.79
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010820215	0	43	-1.0	-55.53	335.29	5.41	-50.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010820216	0	34	-1.0	-58.80	305.27	8.18	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010820217	0	35	-1.0	-60.54	297.57	6.03	-54.51
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820218	0	33	-1.0	-46.15	282.82	5.91	-40.24
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820219	0	33	-1.0	-46.45	293.18	6.36	-40.09
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010820220	0	35	-1.0	-55.61	300.16	6.86	-48.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820221	0	35	-1.0	-50.46	268.55	5.83	-44.63
COC(=O)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820222	0	38	-1.0	-53.79	320.34	4.41	-49.38
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010820223	0	38	-1.0	-53.28	306.89	7.78	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010820224	0	37	-1.0	-49.20	313.57	7.37	-41.83
CC1=C(Br)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820225	0	32	-1.0	-48.32	293.44	5.98	-42.34
N#CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820226	0	36	-1.0	-59.85	301.90	6.89	-52.96
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(F)=C1F	REAL300010820227	0	38	-1.0	-47.52	326.29	6.42	-41.10
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010820228	0	50	-1.0	-51.62	345.80	7.09	-44.53
CC1=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C2C=C1	REAL300010820229	0	40	-1.0	-59.25	322.68	6.55	-52.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010820230	0	43	-1.0	-56.59	338.09	4.18	-52.41
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Br	REAL300010820231	0	35	-1.0	-52.45	283.09	6.18	-46.27
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820232	0	38	-1.0	-65.06	316.32	6.40	-58.66
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010820233	0	40	-1.0	-55.17	318.20	3.33	-51.84
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010820234	0	38	-1.0	-49.29	316.18	6.43	-42.86
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820235	0	38	-1.0	-52.86	315.51	7.21	-45.65
COCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820236	0	39	-1.0	-49.80	320.74	3.26	-46.54
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010820237	0	45	-1.0	-57.01	343.08	7.65	-49.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820238	0	42	-1.0	-60.23	334.56	7.08	-53.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010820239	0	37	-1.0	-56.45	308.08	5.88	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010820240	0	39	-1.0	-52.95	320.78	6.70	-46.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010820241	0	34	-1.0	-58.64	305.06	6.83	-51.81
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820242	0	33	-1.0	-46.37	272.46	5.43	-40.94
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820243	0	46	-1.0	-57.61	366.45	6.17	-51.44
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820244	0	48	-1.0	-52.63	375.48	8.30	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010820245	0	34	-1.0	-67.91	287.62	7.71	-60.20
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820246	0	38	-1.0	-54.33	320.28	6.37	-47.96
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010820247	0	38	-1.0	-48.02	330.31	6.65	-41.37
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820248	0	42	-1.0	-68.65	345.94	6.15	-62.50
COC(=O)C1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820249	0	35	-1.0	-47.96	308.37	5.38	-42.58
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820250	0	44	-1.0	-66.25	335.97	7.05	-59.20
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010820251	0	41	-1.0	-56.78	331.48	6.90	-49.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820252	0	38	-1.0	-62.15	323.75	6.44	-55.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010820253	0	42	-1.0	-56.78	304.55	7.66	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010820254	0	38	-1.0	-57.03	308.21	7.14	-49.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010820255	0	31	-1.0	-49.80	277.04	4.46	-45.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010820256	0	36	-1.0	-52.72	316.01	7.17	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010820257	0	32	-1.0	-51.49	287.95	6.34	-45.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010820258	0	39	-1.0	-64.00	325.34	3.56	-60.44
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820259	0	35	-1.0	-50.83	281.29	6.31	-44.52
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010820260	0	36	-1.0	-50.27	309.81	5.64	-44.63
CC1(C)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010820261	0	43	-1.0	-54.96	338.12	6.94	-48.02
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820262	0	40	-1.0	-56.89	339.23	2.49	-54.40
CCC(=O)NCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC	REAL300010820263	0	49	-1.0	-55.51	391.83	4.85	-50.66
COC1=CC=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820264	0	36	-1.0	-55.62	294.81	5.02	-50.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820265	0	41	-1.0	-66.57	343.11	4.13	-62.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010820266	0	34	-1.0	-50.29	308.93	5.60	-44.69
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820267	0	37	-1.0	-66.57	312.33	6.33	-60.24
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820268	0	33	-1.0	-47.27	302.80	6.67	-40.60
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010820269	0	39	-1.0	-49.77	332.70	6.58	-43.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010820270	0	37	-1.0	-47.35	311.64	1.12	-46.23
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2S1	REAL300010820271	0	46	-1.0	-54.81	373.92	7.63	-47.18
COC(=O)CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820272	0	41	-1.0	-59.16	328.18	6.18	-52.98
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820273	0	37	-1.0	-59.06	315.07	5.49	-53.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010820274	0	37	-1.0	-53.35	296.64	4.99	-48.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010820275	0	40	-1.0	-63.23	323.74	7.18	-56.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010820276	0	38	-1.0	-55.50	305.82	2.32	-53.18
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820277	0	42	-1.0	-52.23	340.45	6.59	-45.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010820278	0	37	-1.0	-59.55	307.89	5.89	-53.66
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010820279	0	42	-1.0	-54.40	324.82	6.43	-47.97
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820280	0	40	-1.0	-64.99	337.56	1.87	-63.12
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820281	0	41	-1.0	-62.42	329.72	6.89	-55.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010820282	0	36	-1.0	-55.92	293.73	5.66	-50.26
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820283	0	36	-1.0	-52.76	299.83	6.73	-46.03
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820284	0	44	-1.0	-53.62	357.74	8.09	-45.53
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010820285	0	38	-1.0	-56.10	325.35	7.40	-48.70
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820286	0	43	-1.0	-64.78	344.43	7.79	-56.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010820287	0	31	-1.0	-44.90	284.14	4.61	-40.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010820288	0	38	-1.0	-56.67	295.75	5.08	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010820289	0	37	-1.0	-54.65	287.94	5.48	-49.17
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820290	0	35	-1.0	-51.79	298.03	6.82	-44.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010820291	0	40	-1.0	-53.16	319.56	4.89	-48.27
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820292	0	48	-1.0	-66.64	375.20	6.77	-59.87
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OCC	REAL300010820293	0	46	-1.0	-53.43	363.10	6.72	-46.71
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(=O)N(C)C1=O	REAL300010820294	0	38	-1.0	-46.48	311.48	4.48	-42.00
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820295	0	38	-1.0	-53.44	296.84	4.86	-48.58
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820296	0	37	-1.0	-57.17	313.83	0.67	-56.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010820297	0	43	-1.0	-68.64	337.97	6.88	-61.76
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820298	0	46	-1.0	-60.00	350.82	6.98	-53.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820299	0	40	-1.0	-62.45	309.50	7.08	-55.37
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820300	0	38	-1.0	-50.99	314.39	6.37	-44.62
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820301	0	43	-1.0	-69.68	339.44	6.72	-62.96
CNC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820302	0	39	-1.0	-60.60	316.05	3.99	-56.61
NC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820303	0	36	-1.0	-60.39	294.12	2.49	-57.90
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2CC1C	REAL300010820304	0	46	-1.0	-68.55	353.82	7.28	-61.27
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300010820305	0	35	-1.0	-54.65	297.02	5.50	-49.15
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820306	0	35	-1.0	-50.94	308.14	5.44	-45.50
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010820307	0	36	-1.0	-43.96	317.55	6.88	-37.08
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820308	0	38	-1.0	-63.97	315.82	4.58	-59.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010820309	0	38	-1.0	-55.50	317.04	2.70	-52.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010820310	0	38	-1.0	-55.91	311.68	2.91	-53.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010820311	0	38	-1.0	-53.27	322.56	3.15	-50.12
CC1=CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2N=C1	REAL300010820312	0	40	-1.0	-60.59	316.98	7.23	-53.36
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010820313	0	38	-1.0	-62.73	305.86	6.12	-56.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820314	0	36	-1.0	-54.06	308.41	6.00	-48.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010820315	0	36	-1.0	-52.42	307.76	5.94	-46.48
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820316	0	37	-1.0	-55.40	315.13	0.65	-54.75
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820317	0	38	-1.0	-52.23	315.28	6.37	-45.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010820318	0	44	-1.0	-54.45	369.69	3.53	-50.92
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010820319	0	37	-1.0	-50.18	314.84	7.08	-43.10
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010820320	0	35	-1.0	-51.08	293.03	6.48	-44.60
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1	REAL300010820321	0	35	-1.0	-51.77	284.48	6.29	-45.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010820322	0	38	-1.0	-64.25	316.15	2.05	-62.20
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820323	0	38	-1.0	-60.41	320.35	3.23	-57.18
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C1=O	REAL300010820324	0	39	-1.0	-47.78	326.46	4.94	-42.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820325	0	40	-1.0	-54.54	323.00	7.02	-47.52
CC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820326	0	35	-1.0	-51.47	270.15	5.93	-45.54
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010820327	0	41	-1.0	-55.06	316.28	6.82	-48.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300010820328	0	40	-1.0	-55.77	308.06	6.31	-49.46
CN1C(=O)OC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820329	0	38	-1.0	-61.80	314.75	5.63	-56.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010820330	0	37	-1.0	-49.16	307.42	7.19	-41.97
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820331	0	40	-1.0	-66.72	313.72	8.07	-58.65
CCOC(=O)C1CCCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010820332	0	46	-1.0	-58.94	353.75	6.32	-52.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010820333	0	36	-1.0	-48.10	306.49	5.50	-42.60
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820334	0	43	-1.0	-56.06	355.70	3.73	-52.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010820335	0	32	-1.0	-46.02	269.49	5.66	-40.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010820336	0	34	-1.0	-58.13	296.62	7.35	-50.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010820337	0	44	-1.0	-52.66	346.18	4.93	-47.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010820338	0	42	-1.0	-60.14	327.53	9.25	-50.89
CC1CC(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010820339	0	43	-1.0	-52.69	319.89	5.96	-46.73
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820340	0	41	-1.0	-51.91	337.14	7.30	-44.61
CCOC(=O)N1CCC(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820341	0	46	-1.0	-55.00	358.13	5.91	-49.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010820342	0	32	-1.0	-50.53	276.37	6.23	-44.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010820343	0	32	-1.0	-50.38	280.94	6.34	-44.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010820344	0	34	-1.0	-48.15	287.87	6.38	-41.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010820345	0	38	-1.0	-57.40	305.61	7.98	-49.42
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820346	0	39	-1.0	-66.52	316.29	4.65	-61.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820347	0	37	-1.0	-58.38	304.96	6.88	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010820348	0	34	-1.0	-65.40	276.30	6.78	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820349	0	39	-1.0	-58.12	334.44	7.03	-51.09
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820350	0	39	-1.0	-53.12	310.98	5.93	-47.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010820351	0	32	-1.0	-46.43	268.85	5.54	-40.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010820352	0	32	-1.0	-49.32	272.57	5.84	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010820353	0	38	-1.0	-54.62	305.40	4.85	-49.77
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010820354	0	41	-1.0	-60.54	312.06	7.97	-52.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820355	0	47	-1.0	-54.46	352.86	8.55	-45.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010820356	0	32	-1.0	-51.67	292.86	6.67	-45.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010820357	0	32	-1.0	-53.58	273.65	5.81	-47.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010820358	0	32	-1.0	-51.64	288.71	6.45	-45.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010820359	0	35	-1.0	-48.63	299.56	6.72	-41.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010820360	0	35	-1.0	-56.68	282.96	6.72	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010820361	0	35	-1.0	-44.99	312.82	7.11	-37.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010820362	0	32	-1.0	-49.86	277.24	6.22	-43.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010820363	0	35	-1.0	-52.25	310.70	6.94	-45.31
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820364	0	37	-1.0	-59.89	300.86	6.12	-53.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010820365	0	32	-1.0	-51.76	283.54	6.26	-45.50
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820366	0	37	-1.0	-56.51	300.98	6.10	-50.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=CO1	REAL300010820367	0	41	-1.0	-62.39	336.01	4.78	-57.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010820368	0	31	-1.0	-45.91	287.81	4.77	-41.14
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010820369	0	35	-1.0	-54.53	290.05	6.07	-48.46
COC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820370	0	36	-1.0	-55.85	292.54	4.92	-50.93
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010820371	0	41	-1.0	-53.08	331.79	7.78	-45.30
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820372	0	41	-1.0	-60.21	336.60	7.16	-53.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010820373	0	39	-1.0	-55.20	310.32	7.75	-47.45
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=N2)C=C1	REAL300010820374	0	42	-1.0	-58.00	342.90	7.44	-50.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010820375	0	43	-1.0	-65.13	339.84	6.72	-58.41
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820376	0	33	-1.0	-46.14	281.97	5.79	-40.35
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820377	0	36	-1.0	-50.62	294.26	6.58	-44.04
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010820378	0	46	-1.0	-54.15	358.73	5.86	-48.29
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300010820379	0	40	-1.0	-50.15	334.47	6.80	-43.35
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010820380	0	37	-1.0	-49.80	305.70	6.90	-42.90
COC(=O)C1=COC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820381	0	35	-1.0	-53.33	301.81	5.01	-48.32
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820382	0	43	-1.0	-56.74	348.73	6.40	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010820383	0	34	-1.0	-53.82	292.74	5.16	-48.66
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820384	0	42	-1.0	-60.71	338.72	6.42	-54.29
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300010820385	0	33	-1.0	-55.53	280.56	4.73	-50.80
CC(=O)NC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010820386	0	42	-1.0	-62.48	335.57	5.51	-56.97
CN1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010820387	0	44	-1.0	-59.30	334.95	6.24	-53.06
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1Cl	REAL300010820388	0	34	-1.0	-47.17	291.39	4.91	-42.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010820389	0	38	-1.0	-54.13	311.08	4.76	-49.37
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820390	0	41	-1.0	-53.51	333.26	7.32	-46.19
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C#N	REAL300010820391	0	36	-1.0	-50.84	285.74	5.90	-44.94
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(OC)=C1	REAL300010820392	0	40	-1.0	-58.64	318.73	4.31	-54.33
CN1C=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820393	0	38	-1.0	-58.53	308.87	7.02	-51.51
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300010820394	0	44	-1.0	-57.16	337.97	8.25	-48.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820395	0	40	-1.0	-52.89	321.28	8.09	-44.80
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)O1	REAL300010820396	0	38	-1.0	-61.21	323.27	5.34	-55.87
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820397	0	33	-1.0	-50.79	275.49	3.53	-47.26
COC(=O)C1=NSC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820398	0	34	-1.0	-46.27	291.03	4.01	-42.26
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1F	REAL300010820399	0	38	-1.0	-51.45	307.71	7.03	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010820400	0	40	-1.0	-74.95	320.24	4.13	-70.82
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010820401	0	39	-1.0	-66.19	321.33	5.73	-60.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010820402	0	32	-1.0	-50.17	283.81	6.28	-43.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010820403	0	31	-1.0	-49.93	272.47	4.36	-45.57
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820404	0	43	-1.0	-58.63	342.07	7.54	-51.09
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010820405	0	35	-1.0	-47.83	309.23	6.97	-40.86
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(N)=O	REAL300010820406	0	37	-1.0	-53.90	302.17	1.82	-52.08
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820407	0	35	-1.0	-51.73	280.46	6.37	-45.36
CCOC(=O)C1CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820408	0	43	-1.0	-63.13	336.02	6.54	-56.59
CNC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010820409	0	40	-1.0	-54.63	324.10	3.31	-51.32
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300010820410	0	42	-1.0	-59.83	325.24	6.87	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010820411	0	40	-1.0	-56.14	322.87	4.81	-51.33
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820412	0	41	-1.0	-52.37	341.43	7.07	-45.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010820413	0	43	-1.0	-56.89	336.49	5.83	-51.06
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820414	0	41	-1.0	-64.49	341.44	7.06	-57.43
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010820415	0	38	-1.0	-56.82	323.33	6.03	-50.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010820416	0	43	-1.0	-57.78	344.88	9.81	-47.97
COC(=O)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820417	0	42	-1.0	-60.74	345.48	6.63	-54.11
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820418	0	45	-1.0	-55.76	366.43	6.78	-48.98
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820419	0	42	-1.0	-53.97	326.17	6.26	-47.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010820420	0	36	-1.0	-69.96	299.27	6.06	-63.90
CCOC(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820421	0	40	-1.0	-55.72	325.59	5.91	-49.81
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010820422	0	35	-1.0	-65.82	297.43	7.57	-58.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010820423	0	34	-1.0	-58.27	297.68	7.43	-50.84
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820424	0	37	-1.0	-44.10	277.25	6.57	-37.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010820425	0	34	-1.0	-42.79	293.42	6.35	-36.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010820426	0	29	-1.0	-48.64	266.57	5.38	-43.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010820427	0	36	-1.0	-48.44	288.43	5.58	-42.86
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010820428	0	40	-1.0	-58.92	309.69	6.96	-51.96
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010820429	0	34	-1.0	-48.98	298.34	5.05	-43.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010820430	0	40	-1.0	-50.17	322.11	4.67	-45.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010820431	0	37	-1.0	-54.65	287.60	5.55	-49.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010820432	0	31	-1.0	-45.39	279.57	4.35	-41.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010820433	0	34	-1.0	-43.12	290.70	6.14	-36.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010820434	0	34	-1.0	-44.13	305.06	6.82	-37.31
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820435	0	41	-1.0	-59.85	341.59	4.56	-55.29
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010820436	0	37	-1.0	-46.66	304.37	6.01	-40.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010820437	0	34	-1.0	-64.44	291.10	6.57	-57.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010820438	0	34	-1.0	-45.07	295.29	6.43	-38.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010820439	0	39	-1.0	-51.75	330.56	6.40	-45.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010820440	0	34	-1.0	-58.02	301.16	7.45	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010820441	0	46	-1.0	-55.80	370.88	8.99	-46.81
CC1(C)C2CCC1(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(=O)C2	REAL300010820442	0	47	-1.0	-66.14	339.78	7.90	-58.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820443	0	40	-1.0	-57.77	339.57	2.10	-55.67
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820444	0	40	-1.0	-56.53	323.57	6.98	-49.55
CCOC(=O)N1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820445	0	45	-1.0	-49.26	346.96	4.41	-44.85
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010820446	0	41	-1.0	-55.12	334.94	7.06	-48.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010820447	0	42	-1.0	-59.38	346.91	7.20	-52.18
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820448	0	54	-1.0	-50.74	387.61	8.21	-42.53
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820449	0	40	-1.0	-55.31	333.01	2.41	-52.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010820450	0	35	-1.0	-56.38	293.04	6.48	-49.90
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820451	0	38	-1.0	-65.94	325.78	3.22	-62.72
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1F	REAL300010820452	0	35	-1.0	-46.96	289.28	6.19	-40.77
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820453	0	39	-1.0	-59.29	330.73	6.65	-52.64
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820454	0	44	-1.0	-55.11	351.30	7.20	-47.91
CC1=CN(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2F)N=C1	REAL300010820455	0	42	-1.0	-52.56	344.53	7.55	-45.01
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820456	0	39	-1.0	-56.25	339.35	4.98	-51.27
CCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820457	0	39	-1.0	-52.13	326.78	0.45	-51.68
CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820458	0	35	-1.0	-54.46	295.71	6.49	-47.97
CC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820459	0	37	-1.0	-51.89	319.99	7.24	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010820460	0	38	-1.0	-59.55	317.20	7.62	-51.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010820461	0	29	-1.0	-49.05	288.49	5.85	-43.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010820462	0	44	-1.0	-57.52	354.29	7.62	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010820463	0	32	-1.0	-47.87	268.70	5.52	-42.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010820464	0	32	-1.0	-52.64	290.32	6.40	-46.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010820465	0	38	-1.0	-56.99	315.38	7.22	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010820466	0	38	-1.0	-59.41	334.50	7.16	-52.25
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010820467	0	40	-1.0	-55.96	326.99	5.36	-50.60
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820468	0	39	-1.0	-53.14	328.70	6.69	-46.45
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010820469	0	35	-1.0	-55.67	310.82	6.99	-48.68
CC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010820470	0	36	-1.0	-46.14	300.49	2.66	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010820471	0	41	-1.0	-56.60	341.18	8.56	-48.04
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010820472	0	34	-1.0	-48.98	298.34	5.05	-43.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010820473	0	34	-1.0	-56.37	301.96	6.68	-49.69
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820474	0	38	-1.0	-60.40	309.67	6.90	-53.50
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010820475	0	35	-1.0	-52.83	300.12	6.85	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010820476	0	44	-1.0	-63.81	356.21	4.21	-59.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010820477	0	39	-1.0	-49.71	332.63	6.21	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010820478	0	32	-1.0	-51.37	293.26	6.56	-44.81
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300010820479	0	40	-1.0	-55.75	330.64	3.12	-52.63
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820480	0	41	-1.0	-48.28	342.13	7.29	-40.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010820481	0	40	-1.0	-62.98	321.26	5.97	-57.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010820482	0	35	-1.0	-52.27	315.97	7.62	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010820483	0	38	-1.0	-56.81	331.99	8.71	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010820484	0	35	-1.0	-50.16	305.76	7.10	-43.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010820485	0	38	-1.0	-62.75	310.12	8.69	-54.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010820486	0	38	-1.0	-54.70	309.49	7.86	-46.84
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010820487	0	46	-1.0	-55.56	374.45	7.93	-47.63
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820488	0	38	-1.0	-55.80	326.04	3.24	-52.56
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820489	0	45	-1.0	-60.27	366.17	7.24	-53.03
O=C([O-])C1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010820490	0	43	-1.0	-53.34	362.86	2.76	-50.58
N#CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820491	0	33	-1.0	-55.64	289.94	6.52	-49.12
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1N(C)C	REAL300010820492	0	43	-1.0	-56.12	333.49	6.30	-49.82
CN1C(Cl)=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820493	0	32	-1.0	-49.29	272.64	3.98	-45.31
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820494	0	37	-1.0	-54.85	317.31	7.25	-47.60
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1Cl	REAL300010820495	0	32	-1.0	-64.44	281.86	5.15	-59.29
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820496	0	35	-1.0	-44.84	291.20	5.81	-39.03
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820497	0	38	-1.0	-59.96	319.20	7.46	-52.50
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820498	0	44	-1.0	-48.56	329.31	5.34	-43.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010820499	0	37	-1.0	-55.26	295.70	5.56	-49.70
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820500	0	38	-1.0	-66.60	321.64	3.23	-63.37
CCOC(=O)C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820501	0	46	-1.0	-56.22	354.42	6.38	-49.84
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820502	0	40	-1.0	-64.15	324.77	7.08	-57.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010820503	0	35	-1.0	-79.64	291.91	5.00	-74.64
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820504	0	42	-1.0	-67.41	336.74	5.55	-61.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010820505	0	35	-1.0	-54.65	306.25	6.88	-47.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010820506	0	33	-1.0	-62.87	273.02	6.07	-56.80
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820507	0	41	-1.0	-57.75	330.99	7.44	-50.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010820508	0	32	-1.0	-53.09	278.36	6.01	-47.08
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820509	0	51	-1.0	-52.29	388.83	8.73	-43.56
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010820510	0	35	-1.0	-51.79	307.83	7.11	-44.68
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820511	0	39	-1.0	-51.02	336.49	4.92	-46.10
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010820512	0	40	-1.0	-55.52	316.73	6.32	-49.20
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820513	0	36	-1.0	-48.69	318.89	5.83	-42.86
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820514	0	44	-1.0	-63.15	346.36	4.30	-58.85
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300010820515	0	35	-1.0	-49.61	308.70	5.44	-44.17
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820516	0	41	-1.0	-59.42	341.99	7.83	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010820517	0	43	-1.0	-53.59	365.89	9.09	-44.50
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820518	0	41	-1.0	-51.87	312.86	6.31	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010820519	0	34	-1.0	-43.98	310.18	6.97	-37.01
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820520	0	36	-1.0	-49.22	319.27	6.40	-42.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820521	0	44	-1.0	-55.17	341.11	6.43	-48.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010820522	0	34	-1.0	-63.24	289.16	6.37	-56.87
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=C1	REAL300010820523	0	46	-1.0	-53.58	370.58	9.26	-44.32
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820524	0	39	-1.0	-60.36	312.69	6.16	-54.20
N#CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820525	0	36	-1.0	-51.37	307.48	6.80	-44.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010820526	0	35	-1.0	-47.79	292.37	3.18	-44.61
CN1C(=O)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820527	0	40	-1.0	-53.28	323.52	6.11	-47.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010820528	0	32	-1.0	-50.29	287.43	6.81	-43.48
COC(=O)C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820529	0	43	-1.0	-55.25	333.00	5.43	-49.82
COC1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820530	0	42	-1.0	-54.79	334.25	6.57	-48.22
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C(=O)OC)S1	REAL300010820531	0	41	-1.0	-55.76	353.73	6.32	-49.44
COCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820532	0	39	-1.0	-55.76	315.60	5.42	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010820533	0	32	-1.0	-59.25	292.52	5.72	-53.53
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010820534	0	41	-1.0	-51.51	341.59	7.55	-43.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010820535	0	38	-1.0	-62.97	328.10	7.09	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010820536	0	38	-1.0	-59.29	344.82	7.61	-51.68
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010820537	0	35	-1.0	-50.25	301.87	3.89	-46.36
CC1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2O1	REAL300010820538	0	37	-1.0	-54.26	304.25	3.34	-50.92
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820539	0	44	-1.0	-60.97	326.43	9.40	-51.57
CC1=CC(Br)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820541	0	32	-1.0	-51.69	294.09	6.00	-45.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010820542	0	37	-1.0	-46.74	319.79	6.26	-40.48
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820543	0	41	-1.0	-56.03	325.09	7.64	-48.39
CC1=C(Br)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300010820544	0	31	-1.0	-52.12	286.82	3.68	-48.44
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820545	0	37	-1.0	-54.47	309.36	6.91	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010820546	0	36	-1.0	-51.15	313.64	4.57	-46.58
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010820547	0	37	-1.0	-55.27	310.08	7.07	-48.20
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010820548	0	40	-1.0	-66.11	324.42	7.66	-58.45
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010820549	0	40	-1.0	-51.01	336.40	7.88	-43.13
CC1=NN2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NC2=C1Cl	REAL300010820550	0	37	-1.0	-51.35	324.79	5.70	-45.65
CCCN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820551	0	38	-1.0	-64.93	309.00	7.10	-57.83
CCCCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(=O)NC1=O	REAL300010820552	0	50	-1.0	-45.46	400.10	6.33	-39.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010820553	0	32	-1.0	-49.39	288.02	6.32	-43.07
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010820554	0	35	-1.0	-57.99	294.76	6.38	-51.61
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCCCC4C(=O)[O-])C=CC1=C23	REAL300010820555	0	43	-1.0	-54.66	336.68	6.98	-47.68
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820556	0	36	-1.0	-54.67	310.32	6.75	-47.92
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010820557	0	37	-1.0	-58.47	315.34	7.10	-51.37
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820558	0	38	-1.0	-59.45	308.87	7.02	-52.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010820559	0	46	-1.0	-63.97	367.56	6.93	-57.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010820560	0	35	-1.0	-76.48	292.34	4.93	-71.55
CC1=CC=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820561	0	35	-1.0	-53.32	295.14	6.67	-46.65
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820562	0	35	-1.0	-53.85	293.39	6.61	-47.24
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010820563	0	35	-1.0	-55.67	295.92	6.44	-49.23
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820564	0	43	-1.0	-55.85	360.70	3.38	-52.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010820565	0	31	-1.0	-55.69	280.53	5.21	-50.48
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010820566	0	43	-1.0	-52.15	338.46	6.02	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010820567	0	35	-1.0	-48.65	313.27	7.28	-41.37
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820568	0	40	-1.0	-62.79	344.83	3.62	-59.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010820569	0	31	-1.0	-46.89	275.34	4.16	-42.73
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1C	REAL300010820570	0	38	-1.0	-66.53	307.31	6.10	-60.43
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820571	0	37	-1.0	-53.02	311.44	4.48	-48.54
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Cl)S1	REAL300010820572	0	35	-1.0	-61.32	329.64	2.71	-58.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010820573	0	40	-1.0	-55.25	314.38	6.30	-48.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820574	0	42	-1.0	-55.50	330.11	6.62	-48.88
CC1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820575	0	35	-1.0	-54.30	293.21	6.05	-48.25
COCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820576	0	39	-1.0	-55.60	314.72	5.44	-50.16
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820577	0	41	-1.0	-65.35	346.48	5.09	-60.26
O=C([O-])C1CCCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010820578	0	43	-1.0	-67.85	328.69	11.64	-56.21
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010820579	0	35	-1.0	-52.26	281.94	6.21	-46.05
CC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010820580	0	37	-1.0	-47.77	317.78	6.73	-41.04
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010820581	0	43	-1.0	-54.92	364.91	4.61	-50.31
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300010820582	0	45	-1.0	-57.58	357.97	8.34	-49.24
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820583	0	36	-1.0	-58.59	314.63	7.04	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010820584	0	41	-1.0	-59.28	323.65	9.19	-50.09
CC1(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300010820585	0	41	-1.0	-50.87	306.02	3.77	-47.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010820586	0	35	-1.0	-58.02	286.97	4.35	-53.67
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010820587	0	40	-1.0	-69.82	318.07	7.60	-62.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010820588	0	38	-1.0	-66.42	307.18	7.26	-59.16
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010820589	0	45	-1.0	-70.31	346.45	6.40	-63.91
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010820590	0	44	-1.0	-52.26	336.62	2.69	-49.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010820591	0	38	-1.0	-50.59	329.33	3.74	-46.85
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820592	0	41	-1.0	-57.27	343.74	7.33	-49.94
COCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820593	0	39	-1.0	-54.31	305.13	5.52	-48.79
CCC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010820594	0	41	-1.0	-51.84	339.13	5.72	-46.12
O=C([O-])C1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010820595	0	49	-1.0	-63.17	379.02	7.82	-55.35
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820596	0	45	-1.0	-54.74	368.05	6.97	-47.77
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1	REAL300010820597	0	33	-1.0	-45.42	283.84	5.99	-39.43
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820598	0	36	-1.0	-54.03	310.98	6.06	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010820599	0	39	-1.0	-67.91	307.45	6.35	-61.56
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010820600	0	37	-1.0	-52.02	307.17	5.64	-46.38
O=C([O-])C1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010820601	0	52	-1.0	-67.64	377.49	7.09	-60.55
O=C([O-])C1CCCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010820602	0	46	-1.0	-57.76	357.74	6.14	-51.62
O=C([O-])C1CCCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010820603	0	43	-1.0	-59.31	363.26	6.66	-52.65
CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010820604	0	35	-1.0	-52.97	282.93	6.13	-46.84
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820605	0	38	-1.0	-53.45	309.75	3.28	-50.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010820606	0	34	-1.0	-52.23	296.23	4.96	-47.27
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300010820607	0	34	-1.0	-61.60	297.87	3.57	-58.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820608	0	38	-1.0	-57.35	321.88	6.40	-50.95
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010821001	0	48	-1.0	-53.98	370.89	7.94	-46.04
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010821002	0	44	-1.0	-57.80	338.89	7.94	-49.86
N#CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821003	0	33	-1.0	-48.95	287.92	6.13	-42.82
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010821004	0	35	-1.0	-50.11	300.71	6.75	-43.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010821005	0	51	-1.0	-54.19	388.49	10.23	-43.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300010821006	0	36	-1.0	-55.17	296.45	5.70	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010821007	0	29	-1.0	-61.76	263.56	4.21	-57.55
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010821008	0	40	-1.0	-51.09	331.55	6.56	-44.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010821009	0	31	-1.0	-45.58	275.01	4.25	-41.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010821010	0	31	-1.0	-44.90	281.46	4.32	-40.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010821011	0	31	-1.0	-44.27	270.99	3.83	-40.44
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821012	0	35	-1.0	-50.90	303.28	3.41	-47.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010821013	0	37	-1.0	-52.07	316.03	6.52	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010821014	0	34	-1.0	-50.11	300.38	5.55	-44.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010821015	0	42	-1.0	-52.95	342.56	6.08	-46.87
O=C([O-])C1CCCCN1S(=O)(=O)N=S1(=O)CCCC1	REAL300010821016	0	36	-1.0	-78.68	296.44	2.83	-75.85
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1(Cl)Cl	REAL300010821017	0	35	-1.0	-50.33	304.61	6.48	-43.85
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010821018	0	31	-1.0	-49.90	285.63	3.87	-46.03
CCS(=O)(CC)=NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821019	0	38	-1.0	-78.26	309.66	3.14	-75.12
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010821020	0	34	-1.0	-48.98	293.32	6.36	-42.62
O=C([O-])C1CCCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010821021	0	40	-1.0	-49.27	313.92	4.97	-44.30
CCN1CC(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1=O	REAL300010821022	0	39	-1.0	-49.29	307.74	4.27	-45.02
CCOC(=O)C1(S(=O)(=O)N2CCCCC2C(=O)[O-])CCC1	REAL300010821023	0	41	-1.0	-50.41	313.85	6.29	-44.12
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010821024	0	43	-1.0	-62.92	347.93	2.33	-60.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010821025	0	33	-1.0	-44.47	305.40	4.82	-39.65
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821026	0	41	-1.0	-52.37	341.43	7.07	-45.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010821027	0	35	-1.0	-60.78	312.06	7.45	-53.33
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010821028	0	35	-1.0	-47.87	296.01	3.91	-43.96
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821029	0	42	-1.0	-55.14	321.35	5.92	-49.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010821030	0	29	-1.0	-49.49	268.30	5.10	-44.39
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010821031	0	44	-1.0	-55.55	329.08	5.59	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010821032	0	42	-1.0	-57.13	328.41	6.00	-51.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821033	0	35	-1.0	-54.75	288.37	4.35	-50.40
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=N1	REAL300010821034	0	32	-1.0	-47.86	277.68	3.35	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010821035	0	34	-1.0	-46.51	294.70	4.71	-41.80
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821036	0	39	-1.0	-53.17	318.36	6.25	-46.92
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010821037	0	46	-1.0	-57.70	368.08	6.96	-50.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010821038	1	33	-1.0	-57.76	275.52	3.48	-54.28
C=CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821039	0	42	-1.0	-55.24	336.84	8.49	-46.75
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821040	0	35	-1.0	-64.19	293.96	3.65	-60.54
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821041	0	35	-1.0	-50.66	301.82	6.65	-44.01
CCC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821042	0	38	-1.0	-57.67	304.56	4.48	-53.19
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010821043	0	37	-1.0	-49.63	308.21	6.26	-43.37
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821044	0	41	-1.0	-77.95	328.81	3.58	-74.37
CCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010821045	0	54	-1.0	-54.70	411.95	9.47	-45.23
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C#N)=C1	REAL300010821046	0	36	-1.0	-50.15	287.90	6.07	-44.08
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821047	0	36	-1.0	-72.27	291.81	7.01	-65.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010821048	0	35	-1.0	-56.86	300.15	6.64	-50.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010821049	0	43	-1.0	-57.99	338.76	5.76	-52.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010821050	0	36	-1.0	-51.83	311.73	7.35	-44.48
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300010821051	0	54	-1.0	-55.53	402.95	9.35	-46.18
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300010821052	0	48	-1.0	-55.59	375.48	8.20	-47.39
N#CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821053	0	39	-1.0	-58.23	323.39	7.67	-50.56
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821054	0	38	-1.0	-56.02	309.81	7.94	-48.08
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821055	0	46	-1.0	-70.56	362.09	4.95	-65.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010821056	0	35	-1.0	-49.79	318.31	7.43	-42.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010821057	0	35	-1.0	-49.67	309.19	7.02	-42.65
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010821058	0	42	-1.0	-59.52	344.99	7.63	-51.89
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821059	0	38	-1.0	-51.93	323.59	7.60	-44.33
CC1=CN=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821060	0	34	-1.0	-49.02	279.79	4.43	-44.59
COC1=CC=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010821061	0	36	-1.0	-69.72	311.26	6.03	-63.69
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821062	0	42	-1.0	-49.65	331.95	7.84	-41.81
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300010821063	0	44	-1.0	-51.97	327.20	7.14	-44.83
CCOC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N(C)N=C1	REAL300010821064	0	41	-1.0	-54.92	330.74	5.70	-49.22
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010821065	0	36	-1.0	-53.84	309.34	7.26	-46.58
O=C([O-])C1CCCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300010821066	0	41	-1.0	-53.29	329.62	7.98	-45.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010821067	0	37	-1.0	-60.61	302.17	2.67	-57.94
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(C(N)=O)O1	REAL300010821068	0	36	-1.0	-65.70	304.94	1.39	-64.31
CCCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821069	0	41	-1.0	-55.19	310.66	7.90	-47.29
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)OC	REAL300010821070	0	44	-1.0	-51.25	366.69	7.35	-43.90
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821071	0	45	-1.0	-53.04	359.94	6.11	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010821072	0	41	-1.0	-62.67	325.03	6.43	-56.24
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010821073	0	32	-1.0	-50.49	275.67	5.34	-45.15
COC(=O)C1=CC=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821074	0	37	-1.0	-57.88	312.67	5.22	-52.66
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010821075	0	38	-1.0	-49.98	314.53	7.26	-42.72
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821076	0	48	-1.0	-59.64	374.79	8.60	-51.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010821077	0	37	-1.0	-53.67	287.90	5.50	-48.17
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010821078	0	52	-1.0	-63.53	387.68	8.28	-55.25
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821079	0	39	-1.0	-66.05	317.07	5.60	-60.45
N#CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300010821080	0	30	-1.0	-50.55	274.53	5.09	-45.46
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010821081	0	46	-1.0	-53.36	356.06	5.80	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010821082	0	47	-1.0	-64.63	371.35	8.32	-56.31
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010821083	0	46	-1.0	-65.01	361.49	7.61	-57.40
COC1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821084	0	35	-1.0	-54.84	289.56	2.88	-51.96
CCC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010821085	0	43	-1.0	-51.74	316.99	6.09	-45.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010821087	0	39	-1.0	-51.16	310.90	5.34	-45.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010821088	0	39	-1.0	-52.96	305.27	5.40	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010821089	0	42	-1.0	-53.13	323.70	6.37	-46.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010821090	0	44	-1.0	-53.00	343.17	7.88	-45.12
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821091	0	45	-1.0	-68.43	367.79	7.07	-61.36
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821092	0	42	-1.0	-63.53	332.31	6.07	-57.46
CC1(C)COC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NN2C1	REAL300010821093	0	43	-1.0	-59.99	340.21	3.76	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010821094	0	38	-1.0	-52.18	327.09	6.62	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010821095	0	38	-1.0	-57.65	311.38	2.91	-54.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010821096	0	29	-1.0	-54.99	265.18	5.04	-49.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300010821097	0	39	-1.0	-60.33	301.21	5.68	-54.65
COC1=C(F)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010821098	0	36	-1.0	-49.42	306.54	5.23	-44.19
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010821099	0	36	-1.0	-54.22	304.67	5.15	-49.07
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010821100	0	57	-1.0	-53.53	435.39	10.30	-43.23
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010821101	0	48	-1.0	-56.42	348.67	6.99	-49.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821102	0	42	-1.0	-58.56	327.96	6.94	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010821103	0	55	-1.0	-55.59	426.37	8.16	-47.43
CC1=CSC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821104	0	35	-1.0	-56.93	283.06	6.42	-50.51
CC1CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300010821105	0	40	-1.0	-59.53	321.47	6.34	-53.19
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010821106	0	40	-1.0	-49.73	328.93	5.37	-44.36
N#CC1(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300010821107	0	40	-1.0	-53.15	327.88	7.92	-45.23
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821108	0	36	-1.0	-57.61	296.75	6.49	-51.12
CC1=C(Br)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)S1	REAL300010821109	0	35	-1.0	-55.03	304.75	7.10	-47.93
CC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=C1	REAL300010821110	0	35	-1.0	-58.16	307.30	7.79	-50.37
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=N1	REAL300010821111	0	37	-1.0	-47.60	311.97	4.53	-43.07
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010821112	0	49	-1.0	-65.79	370.76	7.78	-58.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010821113	0	38	-1.0	-57.97	310.49	6.44	-51.53
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300010821114	0	46	-1.0	-64.46	360.09	7.28	-57.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300010821115	0	29	-1.0	-49.45	266.64	5.05	-44.40
CN1N=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821116	0	32	-1.0	-46.33	278.72	3.35	-42.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010821117	0	34	-1.0	-48.30	294.86	4.85	-43.45
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821118	0	37	-1.0	-64.53	294.13	5.19	-59.34
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010821119	0	41	-1.0	-56.02	306.52	5.74	-50.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010821120	0	36	-1.0	-51.04	317.74	6.30	-44.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010821121	0	33	-1.0	-45.34	275.65	4.48	-40.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010821122	0	35	-1.0	-70.73	308.63	5.50	-65.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010821123	0	35	-1.0	-55.37	299.08	7.15	-48.22
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821124	0	39	-1.0	-52.80	312.86	5.05	-47.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300010821125	0	41	-1.0	-59.80	316.77	8.00	-51.80
COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010821126	0	40	-1.0	-62.50	317.11	5.10	-57.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010821127	0	41	-1.0	-55.39	329.23	2.92	-52.47
N#CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010821128	0	33	-1.0	-53.35	301.46	6.59	-46.76
O=C([O-])C1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010821129	0	35	-1.0	-53.22	286.69	5.71	-47.51
COC1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010821130	0	40	-1.0	-57.57	320.47	5.76	-51.81
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821131	0	35	-1.0	-53.19	320.55	5.65	-47.54
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300010821132	0	45	-1.0	-59.17	348.82	6.28	-52.89
N#CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010821133	0	36	-1.0	-65.80	312.46	7.87	-57.93
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300010821134	0	39	-1.0	-53.78	303.04	4.85	-48.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010821136	0	36	-1.0	-53.78	298.87	5.29	-48.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010821137	0	36	-1.0	-50.50	311.63	5.86	-44.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010821138	0	35	-1.0	-63.32	290.23	5.10	-58.22
CN1N=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C21	REAL300010821139	0	37	-1.0	-56.91	303.78	4.02	-52.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010821140	0	35	-1.0	-53.22	286.69	5.71	-47.51
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010821142	0	38	-1.0	-56.89	302.88	6.99	-49.90
CC1(C)CCCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010821143	0	43	-1.0	-52.16	313.24	5.79	-46.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010821144	0	38	-1.0	-48.16	328.70	6.74	-41.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010821145	0	35	-1.0	-54.44	295.00	6.00	-48.44
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300010821146	0	42	-1.0	-53.95	332.39	6.01	-47.94
O=C([O-])C1CCCCN1S(=O)(=O)NCCC1=CC=CC=C1	REAL300010821147	0	40	-1.0	-49.73	323.15	5.89	-43.84
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821148	0	50	-1.0	-57.25	359.37	8.86	-48.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010821149	0	38	-1.0	-48.33	331.71	7.58	-40.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300010821150	0	29	-1.0	-51.12	267.67	5.14	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010821151	0	42	-1.0	-49.77	334.20	6.22	-43.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010821152	0	36	-1.0	-56.25	298.33	6.50	-49.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010821153	0	43	-1.0	-53.06	359.71	8.10	-44.96
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821154	0	45	-1.0	-66.80	349.45	4.11	-62.69
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010821155	0	41	-1.0	-73.39	324.49	7.59	-65.80
CCCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821156	0	41	-1.0	-54.93	324.92	7.91	-47.02
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821157	0	38	-1.0	-54.73	313.23	3.59	-51.14
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821158	0	33	-1.0	-51.71	283.14	5.79	-45.92
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821159	0	39	-1.0	-56.16	307.88	5.37	-50.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010821160	0	36	-1.0	-47.35	316.21	7.05	-40.30
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300010821161	0	44	-1.0	-57.15	360.35	8.61	-48.54
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821162	0	41	-1.0	-53.09	306.01	5.32	-47.77
CC(C)(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010821163	0	41	-1.0	-58.43	325.44	5.35	-53.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010821164	0	39	-1.0	-49.67	298.15	4.00	-45.67
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010821165	0	37	-1.0	-51.76	310.33	5.26	-46.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010821166	0	35	-1.0	-48.67	306.14	6.77	-41.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010821167	0	35	-1.0	-55.14	287.63	6.53	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010821168	0	32	-1.0	-53.32	282.04	5.67	-47.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010821169	0	32	-1.0	-45.37	292.74	5.87	-39.50
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300010821170	0	37	-1.0	-48.16	288.20	4.87	-43.29
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821171	0	42	-1.0	-57.07	341.55	4.73	-52.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010821172	0	29	-1.0	-54.81	266.30	5.02	-49.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010821173	0	35	-1.0	-50.70	312.56	7.09	-43.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010821174	0	35	-1.0	-56.93	279.68	6.56	-50.37
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821175	0	43	-1.0	-56.09	345.07	7.75	-48.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010821176	0	43	-1.0	-57.92	330.13	8.59	-49.33
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010821177	0	42	-1.0	-50.61	340.88	7.36	-43.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010821178	0	38	-1.0	-52.07	322.99	6.64	-45.43
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010821179	0	38	-1.0	-54.92	302.27	6.06	-48.86
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821180	0	37	-1.0	-55.87	314.51	6.07	-49.80
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010821181	0	39	-1.0	-62.51	315.94	4.05	-58.46
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821182	0	42	-1.0	-51.44	355.84	6.48	-44.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010821183	0	32	-1.0	-51.37	293.26	6.56	-44.81
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010821184	0	32	-1.0	-53.55	278.85	5.65	-47.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010821185	0	39	-1.0	-54.70	309.89	7.79	-46.91
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300010821186	0	33	-1.0	-57.21	287.27	4.17	-53.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010821187	0	35	-1.0	-52.16	291.39	6.79	-45.37
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821188	0	38	-1.0	-53.94	325.24	6.01	-47.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010821189	0	39	-1.0	-51.92	311.71	7.58	-44.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010821190	0	42	-1.0	-53.48	326.91	5.88	-47.60
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821191	0	41	-1.0	-49.42	317.78	5.24	-44.18
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821192	0	41	-1.0	-67.15	331.44	3.30	-63.85
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821193	0	35	-1.0	-57.38	314.21	2.21	-55.17
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821194	0	41	-1.0	-67.15	331.44	3.30	-63.85
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CS1	REAL300010821195	0	33	-1.0	-56.11	287.07	5.98	-50.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010821196	0	35	-1.0	-56.68	282.96	6.72	-49.96
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821197	0	44	-1.0	-70.51	348.78	9.29	-61.22
CN(C1CCCCCC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821198	0	46	-1.0	-52.86	324.71	6.51	-46.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010821199	0	32	-1.0	-55.22	285.78	5.52	-49.70
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821200	0	36	-1.0	-53.87	296.65	5.51	-48.36
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010821201	0	46	-1.0	-51.98	346.43	4.14	-47.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821202	0	38	-1.0	-58.21	314.16	7.23	-50.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010821203	0	36	-1.0	-53.77	299.75	5.29	-48.48
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010821204	0	47	-1.0	-52.58	355.32	8.28	-44.30
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010821205	0	33	-1.0	-52.43	284.06	4.12	-48.31
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300010821206	0	43	-1.0	-76.13	334.06	7.98	-68.15
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010821207	0	40	-1.0	-50.26	315.79	5.71	-44.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300010821208	0	35	-1.0	-48.74	293.66	4.35	-44.39
CCOCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821209	0	42	-1.0	-55.85	337.45	6.39	-49.46
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821210	0	41	-1.0	-54.80	339.62	7.37	-47.43
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821211	0	42	-1.0	-54.62	340.52	6.52	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010821212	0	45	-1.0	-57.06	347.33	6.59	-50.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010821213	0	43	-1.0	-53.62	348.75	8.57	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300010821214	0	35	-1.0	-61.77	284.56	6.94	-54.83
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821215	0	44	-1.0	-57.54	347.15	8.12	-49.42
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1Br	REAL300010821216	0	38	-1.0	-52.16	318.38	7.43	-44.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010821217	0	37	-1.0	-57.29	324.97	7.31	-49.98
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010821218	0	31	-1.0	-51.37	282.53	3.80	-47.57
N#CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010821219	0	33	-1.0	-47.06	282.87	5.83	-41.23
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010821220	0	36	-1.0	-54.00	301.82	5.17	-48.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010821221	1	33	-1.0	-57.76	275.52	3.48	-54.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010821222	0	38	-1.0	-53.84	336.01	6.67	-47.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010821223	0	31	-1.0	-45.36	278.36	4.32	-41.04
N#CC1(OCCS(=O)(=O)N2CCCCC2C(=O)[O-])CCOCC1	REAL300010821224	0	44	-1.0	-57.01	346.96	3.43	-53.58
CCN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010821225	0	35	-1.0	-52.73	305.13	4.52	-48.21
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010821226	0	36	-1.0	-53.71	313.36	7.35	-46.36
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCCCC1C(=O)[O-])=C2	REAL300010821227	0	38	-1.0	-52.55	345.45	6.91	-45.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010821228	0	32	-1.0	-55.73	290.44	6.75	-48.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010821229	0	34	-1.0	-42.42	298.02	4.71	-37.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010821230	0	37	-1.0	-70.00	321.79	7.02	-62.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010821231	0	37	-1.0	-53.50	305.70	6.13	-47.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010821232	0	34	-1.0	-42.42	298.02	4.71	-37.71
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010821233	0	41	-1.0	-58.63	310.61	7.90	-50.73
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821234	0	36	-1.0	-58.27	314.60	7.05	-51.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010821235	0	39	-1.0	-57.87	317.55	6.08	-51.79
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010821236	0	46	-1.0	-52.18	364.80	7.17	-45.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010821237	0	32	-1.0	-44.44	291.04	6.33	-38.11
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010821238	0	38	-1.0	-67.59	323.99	1.97	-65.62
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010821239	0	42	-1.0	-62.07	339.68	6.79	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010821240	0	38	-1.0	-57.53	332.71	3.77	-53.76
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010821241	0	36	-1.0	-53.13	301.35	6.86	-46.27
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010821242	0	36	-1.0	-51.68	316.30	7.45	-44.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010821243	0	36	-1.0	-52.58	316.23	7.42	-45.16
O=C([O-])C1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010821244	0	37	-1.0	-54.92	306.76	-0.39	-55.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010821245	0	35	-1.0	-57.82	288.22	5.71	-52.11
O=C([O-])C1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300010821246	0	38	-1.0	-50.91	299.69	6.43	-44.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010821247	0	34	-1.0	-52.96	291.53	5.07	-47.89
O=C([O-])C1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300010821248	0	40	-1.0	-50.71	317.66	2.89	-47.82
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010821249	0	41	-1.0	-64.65	329.80	5.37	-59.28
O=C([O-])C1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010821250	0	49	-1.0	-55.00	339.87	8.53	-46.47
CC1(C)COC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010821251	0	42	-1.0	-54.01	323.05	5.18	-48.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010821252	0	35	-1.0	-56.85	293.93	1.40	-55.45
CC(C)(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(C)(F)F	REAL300010821253	0	40	-1.0	-52.06	301.93	6.11	-45.95
CS(=O)(=O)CCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821254	0	40	-1.0	-61.37	333.40	2.53	-58.84
CC1(C)CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])OC1	REAL300010821255	0	45	-1.0	-52.83	337.65	5.85	-46.98
CCOC(=O)C1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C2C=CC=CN21	REAL300010821256	0	44	-1.0	-71.81	362.77	8.03	-63.78
O=C([O-])C1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010821257	0	42	-1.0	-52.16	333.47	8.00	-44.16
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010821258	0	36	-1.0	-60.92	309.98	4.77	-56.15
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2C=C1	REAL300010821259	0	41	-1.0	-66.96	345.64	8.10	-58.86
O=C([O-])C1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010821260	0	42	-1.0	-51.46	344.77	8.56	-42.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010821261	0	41	-1.0	-58.20	315.54	3.62	-54.58
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821262	0	41	-1.0	-52.33	335.89	6.59	-45.74
O=C([O-])C1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010821263	0	45	-1.0	-52.77	330.44	7.69	-45.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010821264	0	36	-1.0	-52.95	304.07	7.02	-45.93
COC(=O)C1CCCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821265	0	43	-1.0	-54.77	313.46	5.61	-49.16
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010821266	0	54	-1.0	-57.65	390.01	9.87	-47.78
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821267	0	35	-1.0	-58.31	306.39	6.51	-51.80
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821268	0	43	-1.0	-53.85	339.78	6.80	-47.05
CC1=CC=CC(CNS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821269	0	40	-1.0	-50.86	323.08	5.81	-45.05
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=NN1	REAL300010821270	0	38	-1.0	-53.85	321.97	3.86	-49.99
COC1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010821271	0	37	-1.0	-50.95	311.22	4.47	-46.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821272	0	35	-1.0	-53.18	316.47	5.54	-47.64
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010821273	0	44	-1.0	-55.66	320.95	6.28	-49.38
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821274	0	43	-1.0	-51.67	336.96	7.39	-44.28
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821275	0	36	-1.0	-57.53	310.94	7.06	-50.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010821276	0	36	-1.0	-56.89	306.99	6.31	-50.58
COC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010821277	0	36	-1.0	-60.27	298.62	5.42	-54.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010821278	0	36	-1.0	-56.80	302.91	5.33	-51.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821279	0	38	-1.0	-55.91	300.90	5.64	-50.27
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010821280	0	35	-1.0	-57.38	289.82	6.96	-50.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010821281	0	41	-1.0	-53.45	339.79	6.19	-47.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010821282	0	29	-1.0	-44.21	285.30	5.81	-38.40
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010821283	0	32	-1.0	-52.66	283.32	3.65	-49.01
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821284	0	45	-1.0	-59.78	358.34	8.18	-51.60
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010821285	0	49	-1.0	-54.82	379.52	7.61	-47.21
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010821286	0	35	-1.0	-55.89	317.72	6.97	-48.92
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010821287	0	37	-1.0	-56.33	311.04	6.35	-49.98
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821288	0	40	-1.0	-64.86	315.03	5.53	-59.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010821289	0	43	-1.0	-53.32	349.14	8.54	-44.78
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821290	0	38	-1.0	-63.23	296.81	7.16	-56.07
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821291	0	35	-1.0	-64.19	293.96	3.65	-60.54
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010821292	0	37	-1.0	-47.66	315.55	4.27	-43.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010821293	0	33	-1.0	-49.09	300.38	4.43	-44.66
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821294	0	34	-1.0	-49.34	285.22	4.80	-44.54
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821295	0	43	-1.0	-62.80	344.27	7.30	-55.50
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300010821296	0	42	-1.0	-52.92	328.08	5.94	-46.98
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300010821297	0	36	-1.0	-55.96	284.89	5.34	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010821298	0	38	-1.0	-54.36	322.31	8.48	-45.88
CC(=O)OC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010821299	0	40	-1.0	-55.67	321.25	4.97	-50.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010821300	0	42	-1.0	-55.76	353.20	9.71	-46.05
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(Cl)S1	REAL300010821301	0	35	-1.0	-49.11	314.19	6.13	-42.98
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010821302	0	38	-1.0	-51.22	319.70	7.55	-43.67
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821303	0	45	-1.0	-53.76	348.68	6.91	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300010821304	0	29	-1.0	-46.34	269.08	5.23	-41.11
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821305	0	46	-1.0	-61.75	367.85	6.00	-55.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010821306	0	38	-1.0	-54.36	308.83	7.90	-46.46
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821307	0	40	-1.0	-55.06	309.82	3.51	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010821308	0	39	-1.0	-57.33	288.36	7.00	-50.33
CC1(C)CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010821309	0	43	-1.0	-51.69	312.46	5.69	-46.00
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(CO)CC1	REAL300010821310	0	41	-1.0	-51.29	309.43	2.13	-49.16
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821311	0	46	-1.0	-63.36	369.26	6.03	-57.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010821312	0	47	-1.0	-53.67	362.75	6.15	-47.52
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821313	0	35	-1.0	-51.02	298.70	3.30	-47.72
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010821314	0	38	-1.0	-50.63	308.05	3.11	-47.52
CC(C)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010821315	0	41	-1.0	-57.99	323.87	5.79	-52.20
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821316	0	41	-1.0	-52.21	316.08	4.92	-47.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010821317	0	31	-1.0	-59.29	289.00	4.38	-54.91
O=C([O-])C1CCCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010821318	0	42	-1.0	-54.52	325.06	3.70	-50.82
COCC1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300010821319	0	38	-1.0	-62.73	317.21	3.57	-59.16
N#CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300010821320	0	30	-1.0	-48.27	269.68	5.07	-43.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010821321	0	35	-1.0	-70.06	313.18	5.61	-64.45
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010821322	0	30	-1.0	-53.69	274.67	4.24	-49.45
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010821323	0	36	-1.0	-59.34	310.75	3.77	-55.57
CC1=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)S1	REAL300010821324	0	38	-1.0	-57.81	307.80	7.21	-50.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC=C1Cl	REAL300010821325	0	31	-1.0	-60.11	270.54	4.99	-55.12
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821326	0	36	-1.0	-58.33	312.58	6.11	-52.22
COC1=CC=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821327	0	35	-1.0	-57.72	279.85	3.44	-54.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010821328	0	34	-1.0	-54.42	296.56	5.53	-48.89
COC1=NC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Cl	REAL300010821329	0	35	-1.0	-46.63	290.29	2.37	-44.26
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010821330	0	41	-1.0	-61.22	343.58	4.36	-56.86
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821331	0	39	-1.0	-57.68	316.39	3.56	-54.12
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010821332	0	36	-1.0	-49.67	326.06	7.77	-41.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010821333	0	37	-1.0	-49.97	313.25	7.40	-42.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010821334	0	31	-1.0	-54.89	282.52	5.30	-49.59
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300010821335	0	43	-1.0	-61.12	334.02	6.84	-54.28
CC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821336	0	38	-1.0	-52.09	303.94	4.54	-47.55
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300010821337	0	40	-1.0	-55.77	308.06	6.31	-49.46
COC(=O)C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010821338	0	40	-1.0	-49.35	328.17	5.08	-44.27
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821339	0	35	-1.0	-57.03	300.63	7.23	-49.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010821340	0	39	-1.0	-52.54	303.28	5.71	-46.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010821341	0	39	-1.0	-59.00	316.83	6.36	-52.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010821342	0	34	-1.0	-59.72	289.83	5.38	-54.34
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300010821343	0	37	-1.0	-58.37	296.06	6.21	-52.16
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C(C)C	REAL300010821344	0	41	-1.0	-61.34	326.51	5.43	-55.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010821345	0	39	-1.0	-56.40	320.55	7.85	-48.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010821346	0	34	-1.0	-53.50	288.05	4.68	-48.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010821347	0	32	-1.0	-50.53	276.37	6.23	-44.30
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=C1NCCC2	REAL300010821348	0	44	-1.0	-57.21	319.51	5.91	-51.30
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010821349	0	46	-1.0	-54.03	369.26	9.31	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010821350	0	39	-1.0	-56.47	321.13	7.95	-48.52
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010821351	0	29	-1.0	-49.49	268.30	5.10	-44.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010821352	0	36	-1.0	-51.13	313.17	6.19	-44.94
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821353	0	34	-1.0	-49.46	289.82	4.87	-44.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010821354	0	37	-1.0	-64.92	294.94	6.73	-58.19
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821355	0	41	-1.0	-57.19	325.28	7.21	-49.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010821356	0	43	-1.0	-57.78	344.88	9.81	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010821357	0	35	-1.0	-60.39	296.54	6.41	-53.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010821358	0	31	-1.0	-49.80	277.04	4.46	-45.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010821359	0	34	-1.0	-59.09	279.47	5.78	-53.31
O=C([O-])C1CCCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010821360	0	35	-1.0	-45.57	289.28	5.07	-40.50
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821361	0	40	-1.0	-52.64	311.80	1.08	-51.56
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300010821362	0	39	-1.0	-52.11	291.28	3.70	-48.41
N#CC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010821363	0	38	-1.0	-52.44	298.56	5.08	-47.36
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300010821364	0	34	-1.0	-57.03	297.21	5.66	-51.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010821365	0	31	-1.0	-53.57	285.34	5.59	-47.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010821366	0	36	-1.0	-58.58	308.07	4.93	-53.65
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010821367	0	36	-1.0	-53.13	301.35	6.86	-46.27
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010821368	0	36	-1.0	-52.78	311.67	7.31	-45.47
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821369	0	41	-1.0	-60.05	341.03	5.26	-54.79
COC1=CC=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821370	0	35	-1.0	-58.94	287.24	3.86	-55.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010821371	0	39	-1.0	-61.24	312.94	7.69	-53.55
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010821372	0	35	-1.0	-49.04	305.77	6.98	-42.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010821373	0	36	-1.0	-45.15	308.43	5.26	-39.89
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)F)=C1	REAL300010821374	0	39	-1.0	-59.71	309.33	5.93	-53.78
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)OC	REAL300010821375	0	45	-1.0	-52.21	364.87	7.31	-44.90
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C1	REAL300010821376	0	45	-1.0	-62.25	360.31	8.21	-54.04
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1	REAL300010821377	0	35	-1.0	-59.30	287.04	3.83	-55.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821378	0	38	-1.0	-51.20	321.05	3.78	-47.42
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821379	0	38	-1.0	-55.62	325.94	7.38	-48.24
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821380	0	37	-1.0	-61.89	299.21	4.99	-56.90
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821381	0	38	-1.0	-69.39	313.65	7.57	-61.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010821382	0	37	-1.0	-55.33	295.74	5.75	-49.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010821383	0	32	-1.0	-50.86	269.10	6.10	-44.76
CCOC1=CC=CN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821384	0	38	-1.0	-65.86	307.77	5.50	-60.36
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300010821385	0	43	-1.0	-56.53	356.30	6.71	-49.82
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300010821386	0	40	-1.0	-62.40	313.68	7.12	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010821387	0	28	-1.0	-47.70	267.25	3.75	-43.95
NC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821388	0	34	-1.0	-55.26	297.04	4.18	-51.08
O=C([O-])C1CCCCN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300010821389	0	39	-1.0	-58.51	307.99	8.75	-49.76
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821390	0	34	-1.0	-59.12	284.55	5.56	-53.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010821391	0	34	-1.0	-55.95	274.96	5.50	-50.45
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C(Cl)S1	REAL300010821392	0	32	-1.0	-54.19	273.92	5.50	-48.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010821393	0	34	-1.0	-58.13	290.01	5.42	-52.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010821394	0	39	-1.0	-50.43	335.09	6.70	-43.73
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCCCC1C(=O)[O-])C2	REAL300010821395	0	49	-1.0	-58.03	331.30	10.20	-47.83
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821396	0	45	-1.0	-58.08	340.63	7.45	-50.63
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010821397	1	37	-1.0	-58.00	309.82	4.97	-53.03
CC(O)(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010821398	0	35	-1.0	-47.56	322.89	3.36	-44.20
CC(O)(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010821399	0	29	-1.0	-44.15	284.95	1.03	-43.12
CC(O)(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010821400	0	29	-1.0	-46.24	280.32	1.19	-45.05
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821401	0	41	-1.0	-45.39	324.21	2.99	-42.40
COC(=O)CC1(CS(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821402	0	38	-1.0	-48.06	328.99	0.97	-47.09
COC(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821403	0	35	-1.0	-51.21	307.88	1.96	-49.25
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821404	0	38	-1.0	-45.87	340.25	2.00	-43.87
CC(O)(CNS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010821405	0	29	-1.0	-49.07	280.49	0.94	-48.13
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821406	0	35	-1.0	-53.92	319.16	1.16	-52.76
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821407	0	41	-1.0	-45.75	339.84	2.74	-43.01
CC(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821408	0	38	-1.0	-45.71	323.86	2.34	-43.37
CCC(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821409	0	41	-1.0	-45.64	342.32	3.01	-42.63
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821410	0	46	-1.0	-50.11	400.39	0.13	-49.98
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821411	0	40	-1.0	-50.42	359.24	-1.59	-52.01
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010821412	0	33	-1.0	-49.42	299.59	-2.72	-52.14
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821413	0	39	-1.0	-50.28	345.83	-0.57	-50.85
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010821414	0	31	-1.0	-45.50	293.72	1.18	-44.32
CC(O)(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010821415	0	29	-1.0	-47.39	285.98	1.71	-45.68
CCCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821416	0	38	-1.0	-45.70	328.03	2.64	-43.06
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010821417	0	29	-1.0	-45.30	286.79	1.12	-44.18
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Br	REAL300010821418	0	33	-1.0	-45.06	313.55	0.39	-44.67
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821419	0	40	-1.0	-51.54	340.49	-0.87	-52.41
CC(O)(CNS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010821420	0	29	-1.0	-49.89	274.48	0.30	-49.59
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010821421	0	29	-1.0	-43.01	297.30	1.49	-41.52
CC(O)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821422	0	35	-1.0	-43.24	341.63	2.46	-40.78
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010821423	0	41	-1.0	-50.35	373.35	1.75	-48.60
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821424	0	41	-1.0	-53.32	362.54	2.57	-50.75
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010821425	0	29	-1.0	-46.88	278.84	0.74	-46.14
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010821426	0	32	-1.0	-43.65	305.53	2.54	-41.11
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1Br	REAL300010821427	0	32	-1.0	-44.14	303.15	1.60	-42.54
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1NC(C)=O	REAL300010821428	0	40	-1.0	-52.92	347.73	-1.27	-54.19
CC(O)(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010821429	0	33	-1.0	-44.54	309.63	0.21	-44.33
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1C	REAL300010821430	0	44	-1.0	-46.03	333.31	3.28	-42.75
CC(O)(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010821431	0	38	-1.0	-46.28	326.47	0.35	-45.93
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821432	0	34	-1.0	-45.81	307.86	1.61	-44.20
CC(O)(CNS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010821433	0	26	-1.0	-44.58	277.24	0.14	-44.44
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1Cl	REAL300010821434	0	35	-1.0	-43.76	319.85	2.81	-40.95
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821435	0	33	-1.0	-45.02	305.45	0.86	-44.16
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821436	0	47	-1.0	-44.94	365.96	4.23	-40.71
CC(O)(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010821437	0	45	-1.0	-45.49	365.49	4.23	-41.26
CC(O)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010821438	0	32	-1.0	-44.10	302.39	1.41	-42.69
CC(O)(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010821439	0	39	-1.0	-46.63	326.36	2.91	-43.72
COC1=CC=C(OC)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821440	0	37	-1.0	-47.92	313.62	-0.48	-48.40
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1OC	REAL300010821441	0	37	-1.0	-47.11	322.37	-0.38	-47.49
CC(O)(CNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010821442	0	39	-1.0	-47.06	360.87	0.00	-47.06
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821443	0	36	-1.0	-50.85	338.25	-1.43	-52.28
CC(O)(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010821444	0	37	-1.0	-46.48	318.11	2.82	-43.66
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821445	0	39	-1.0	-60.03	334.92	0.19	-59.84
CC(O)(CNS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010821446	0	26	-1.0	-42.31	276.07	0.13	-42.18
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821447	0	44	-1.0	-45.55	367.09	3.92	-41.63
CC(O)(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010821448	0	35	-1.0	-48.95	304.69	2.77	-46.18
CC(O)(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010821449	0	39	-1.0	-47.16	338.02	3.86	-43.30
CC(O)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010821450	0	32	-1.0	-45.25	304.24	1.51	-43.74
CC(O)(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010821451	0	29	-1.0	-43.12	302.68	2.20	-40.92
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821452	0	44	-1.0	-45.79	354.07	3.21	-42.58
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821453	0	32	-1.0	-46.51	299.11	1.52	-44.99
CC(O)(CNS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010821454	0	29	-1.0	-42.74	282.83	0.63	-42.11
CC(O)(CNS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010821455	1	29	-1.0	-43.59	288.90	0.84	-42.75
CC(O)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010821456	0	32	-1.0	-45.85	300.65	1.17	-44.68
CC(O)(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010821457	0	29	-1.0	-43.46	288.92	0.84	-42.62
CC(O)(CNS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010821458	0	29	-1.0	-43.67	274.62	0.29	-43.38
CC(O)(CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010821459	0	30	-1.0	-55.48	274.68	-0.83	-56.31
CC(O)(CNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821460	0	32	-1.0	-43.00	307.98	1.48	-41.52
CC(O)(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010821461	0	34	-1.0	-53.99	295.86	1.54	-52.45
CC(O)(CNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010821462	0	32	-1.0	-43.78	295.20	2.09	-41.69
CC(O)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010821463	0	40	-1.0	-48.30	369.34	3.84	-44.46
CC(O)(CNS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010821464	0	29	-1.0	-50.75	278.10	0.67	-50.08
CC(O)(CNS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010821465	0	29	-1.0	-43.15	286.73	1.26	-41.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821466	0	35	-1.0	-45.00	312.58	0.95	-44.05
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821467	0	33	-1.0	-45.53	299.36	-0.21	-45.74
CC(O)(CNS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010821468	1	29	-1.0	-45.04	278.75	0.79	-44.25
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010821469	0	29	-1.0	-42.79	290.66	1.08	-41.71
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2)C=C1	REAL300010821470	0	44	-1.0	-46.72	382.05	2.59	-44.13
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821471	0	36	-1.0	-50.49	333.81	-0.06	-50.55
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CC=C12	REAL300010821472	0	45	-1.0	-48.63	372.78	3.68	-44.95
CC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1Cl	REAL300010821473	0	32	-1.0	-47.12	304.38	2.24	-44.88
CC(O)(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010821474	0	32	-1.0	-47.52	319.32	2.10	-45.42
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CC=C12	REAL300010821475	0	39	-1.0	-48.83	333.02	2.12	-46.71
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(N)=O	REAL300010821476	0	36	-1.0	-47.31	314.25	-2.13	-49.44
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(N)=O	REAL300010821477	0	37	-1.0	-50.28	325.46	-2.21	-52.49
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821478	0	34	-1.0	-44.65	306.78	2.01	-42.64
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(F)=C1	REAL300010821479	0	36	-1.0	-59.33	318.44	-0.92	-60.25
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821480	0	34	-1.0	-46.34	301.64	1.73	-44.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821481	0	35	-1.0	-48.13	335.35	1.62	-46.51
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010821482	0	28	-1.0	-46.98	278.06	-0.69	-47.67
CC(O)(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010821483	0	38	-1.0	-57.73	348.66	-1.37	-59.10
CC(=O)NC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1F	REAL300010821484	0	36	-1.0	-53.08	325.66	-0.57	-53.65
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C21	REAL300010821485	0	43	-1.0	-60.08	356.11	2.02	-58.06
CC(O)(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010821486	0	34	-1.0	-58.27	312.62	-3.55	-61.82
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1C	REAL300010821487	0	39	-1.0	-46.92	324.25	1.24	-45.68
CC(O)(CNS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010821488	0	29	-1.0	-44.68	286.47	1.23	-43.45
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010821489	0	40	-1.0	-47.06	347.16	-0.06	-47.12
CC(O)(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010821490	0	32	-1.0	-46.61	308.69	1.75	-44.86
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010821491	0	29	-1.0	-42.69	299.78	1.50	-41.19
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821492	0	42	-1.0	-53.52	367.32	0.21	-53.31
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821493	0	43	-1.0	-51.02	366.37	-0.75	-51.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821494	0	37	-1.0	-49.56	323.51	2.86	-46.70
CC(C)CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821495	0	41	-1.0	-45.71	344.84	3.10	-42.61
COCCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821496	0	39	-1.0	-46.32	340.20	0.93	-45.39
COCCN(CCOC)S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821497	0	41	-1.0	-44.40	337.68	-2.33	-46.73
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821498	0	32	-1.0	-46.23	295.96	1.73	-44.50
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821499	0	45	-1.0	-46.05	375.57	2.74	-43.31
CC(O)(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010821500	0	43	-1.0	-45.28	358.48	2.67	-42.61
CC(C)COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821501	0	42	-1.0	-46.13	356.61	2.14	-43.99
CCCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821502	0	39	-1.0	-46.16	336.50	1.44	-44.72
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821503	0	33	-1.0	-45.04	309.16	0.27	-44.77
CC(O)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010821504	0	33	-1.0	-46.51	318.92	0.55	-45.96
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821505	0	36	-1.0	-46.88	313.21	0.46	-46.42
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1OC(C)C	REAL300010821506	0	42	-1.0	-46.55	352.99	2.01	-44.54
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1	REAL300010821507	0	36	-1.0	-46.43	308.02	0.65	-45.78
COCCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821508	0	40	-1.0	-49.18	348.63	-0.09	-49.27
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821509	0	40	-1.0	-51.33	354.39	0.08	-51.25
CC(O)(CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010821510	0	44	-1.0	-46.89	369.75	-0.08	-46.97
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(Br)=C1	REAL300010821511	0	32	-1.0	-45.87	301.77	1.86	-44.01
CC(O)(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010821512	0	35	-1.0	-53.46	326.01	-2.00	-55.46
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821513	0	35	-1.0	-48.46	324.58	2.44	-46.02
CC(O)(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010821514	0	34	-1.0	-49.97	304.61	0.80	-49.17
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821515	0	35	-1.0	-48.00	339.91	1.73	-46.27
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821516	0	33	-1.0	-48.09	301.49	0.92	-47.17
CC(O)(CNS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010821517	0	30	-1.0	-48.37	282.86	0.60	-47.77
CC(O)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010821518	0	33	-1.0	-52.05	308.12	1.21	-50.84
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821519	0	46	-1.0	-50.24	405.36	-0.50	-50.74
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1OC	REAL300010821520	0	39	-1.0	-48.35	345.73	1.12	-47.23
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821521	0	38	-1.0	-45.69	334.45	1.61	-44.08
CC(O)(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010821522	0	39	-1.0	-54.05	334.53	-3.97	-58.02
CC(O)(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010821523	0	38	-1.0	-52.42	332.31	0.49	-51.93
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010821524	0	38	-1.0	-51.41	337.22	1.78	-49.63
CCN1N=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821525	0	38	-1.0	-45.66	323.26	0.40	-45.26
CC(C)CN1C=NC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821526	0	38	-1.0	-53.25	328.22	1.38	-51.87
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821527	0	41	-1.0	-46.61	316.36	2.95	-43.66
CC(O)(CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010821528	0	42	-1.0	-52.08	367.88	3.37	-48.71
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821529	0	37	-1.0	-59.78	330.12	-0.17	-59.95
CC(O)(CNS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010821531	0	36	-1.0	-54.02	328.79	1.74	-52.28
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1F	REAL300010821532	0	35	-1.0	-52.70	324.09	0.89	-51.81
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(Cl)=C1Cl	REAL300010821533	0	33	-1.0	-50.13	309.24	0.29	-49.84
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010821534	0	39	-1.0	-48.40	359.77	2.54	-45.86
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(Br)O1	REAL300010821535	0	32	-1.0	-42.65	312.75	-0.58	-43.23
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C(Br)S1	REAL300010821536	0	29	-1.0	-44.96	293.96	0.98	-43.98
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN1	REAL300010821537	0	33	-1.0	-48.28	307.05	-1.25	-49.53
CC(O)(CNS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010821538	0	30	-1.0	-44.01	299.85	1.22	-42.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821539	0	37	-1.0	-49.13	314.82	3.16	-45.97
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821540	0	35	-1.0	-47.91	320.02	1.13	-46.78
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821541	0	38	-1.0	-57.04	339.06	-1.16	-58.20
CC(O)(CNS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010821542	0	33	-1.0	-45.36	309.52	2.43	-42.93
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010821543	0	30	-1.0	-47.45	299.88	1.22	-46.23
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821544	0	45	-1.0	-48.71	375.87	2.18	-46.53
CC(O)(CNS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010821545	0	40	-1.0	-51.55	351.71	0.39	-51.16
CC(O)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010821546	0	41	-1.0	-50.04	372.84	-1.69	-51.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821547	0	37	-1.0	-50.75	340.24	-3.41	-54.16
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821548	0	39	-1.0	-53.59	359.44	-0.65	-54.24
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])O1	REAL300010821549	0	32	-1.0	-48.16	303.38	-0.76	-48.92
COC(=O)C1=C(C)OC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821550	0	35	-1.0	-47.19	321.53	-0.13	-47.32
CC(O)(CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821551	1	31	-1.0	-56.42	285.65	1.80	-54.62
CC(O)(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010821552	0	32	-1.0	-46.07	320.87	2.13	-43.94
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(C)N1	REAL300010821553	0	42	-1.0	-45.91	359.64	1.09	-44.82
CC(O)(CNS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010821554	0	29	-1.0	-48.06	280.69	1.28	-46.78
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S2)=CS1	REAL300010821555	0	35	-1.0	-47.54	343.09	0.97	-46.57
CC(O)(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010821556	0	49	-1.0	-45.21	398.21	4.03	-41.18
CC(O)(CNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010821557	0	39	-1.0	-49.57	360.90	-0.01	-49.58
CC(O)(CNS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010821558	0	29	-1.0	-43.93	291.44	1.51	-42.42
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821559	0	38	-1.0	-51.97	333.05	1.97	-50.00
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821560	0	31	-1.0	-46.73	298.10	2.45	-44.28
COC1=CC(F)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1OC	REAL300010821561	0	37	-1.0	-48.25	320.59	-0.62	-48.87
COC1=CC(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1OC	REAL300010821562	0	40	-1.0	-48.80	337.09	0.53	-48.27
CC(O)(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821563	1	31	-1.0	-45.60	309.97	3.17	-42.43
CC(O)(CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010821564	0	32	-1.0	-53.29	303.16	1.32	-51.97
CC(O)(CNS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010821565	0	30	-1.0	-52.35	275.81	0.27	-52.08
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010821566	0	30	-1.0	-52.08	286.14	0.73	-51.35
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(Br)=C1	REAL300010821567	0	35	-1.0	-45.51	335.04	1.84	-43.67
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Br	REAL300010821568	0	32	-1.0	-46.50	303.15	1.61	-44.89
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010821569	0	33	-1.0	-47.05	315.99	-1.97	-49.02
COC(=O)CN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N1	REAL300010821570	0	35	-1.0	-56.16	323.18	-0.78	-56.94
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010821571	0	35	-1.0	-46.19	319.06	3.19	-43.00
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010821572	0	34	-1.0	-43.43	317.03	2.68	-40.75
CC1=C(Br)SC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821573	0	29	-1.0	-44.68	297.03	0.77	-43.91
CC1=C(Br)C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821574	0	34	-1.0	-46.28	328.59	2.26	-44.02
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC(F)=C1F	REAL300010821575	0	35	-1.0	-45.43	329.46	1.19	-44.24
CC(O)(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010821576	0	47	-1.0	-44.07	350.78	2.10	-41.97
CC1=NC2=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=CC=C2C=C1	REAL300010821577	0	37	-1.0	-54.37	316.87	2.10	-52.27
CC(O)(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010821578	0	40	-1.0	-48.25	340.99	-1.01	-49.26
CC1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1Br	REAL300010821579	0	32	-1.0	-46.22	298.29	1.74	-44.48
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821580	0	35	-1.0	-49.97	322.56	1.56	-48.41
CC(O)(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010821581	0	37	-1.0	-46.15	321.88	-1.81	-47.96
COC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010821582	0	35	-1.0	-46.58	319.17	1.16	-45.42
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821583	0	35	-1.0	-46.85	318.30	2.23	-44.62
COCCN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N1	REAL300010821584	0	36	-1.0	-46.35	323.59	-1.95	-48.30
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1Br	REAL300010821585	0	35	-1.0	-45.10	334.70	1.54	-43.56
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CC=C12	REAL300010821586	0	42	-1.0	-48.55	354.81	3.06	-45.49
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821587	0	39	-1.0	-47.99	327.43	1.83	-46.16
CC(O)(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010821588	0	34	-1.0	-53.53	311.92	0.59	-52.94
CC(O)(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010821589	0	36	-1.0	-49.93	324.40	1.57	-48.36
CC(O)(CNS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010821590	0	43	-1.0	-53.10	381.84	2.50	-50.60
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821591	0	31	-1.0	-49.51	308.05	1.54	-47.97
CC(O)(CNS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010821592	0	30	-1.0	-58.52	275.13	0.20	-58.32
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821593	0	43	-1.0	-49.20	370.48	0.88	-48.32
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821594	0	45	-1.0	-46.03	379.50	3.00	-43.03
CC(O)(CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821595	0	31	-1.0	-55.27	293.53	2.33	-52.94
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1F	REAL300010821596	0	35	-1.0	-46.46	322.98	1.09	-45.37
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010821597	0	35	-1.0	-44.34	332.54	1.51	-42.83
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821598	0	39	-1.0	-48.75	338.82	0.88	-47.87
COC(=O)C1=CSC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821599	0	32	-1.0	-46.37	311.68	0.08	-46.29
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821600	0	41	-1.0	-51.66	350.26	2.53	-49.13
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1C	REAL300010821601	0	38	-1.0	-48.17	334.47	1.60	-46.57
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821602	0	35	-1.0	-49.18	316.64	0.82	-48.36
CC(O)(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010821603	0	39	-1.0	-46.64	319.53	3.12	-43.52
CC(O)(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010821604	0	35	-1.0	-47.71	312.02	2.24	-45.47
CC(O)(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010821605	0	28	-1.0	-44.03	279.96	-0.79	-44.82
CC(O)(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010821606	0	33	-1.0	-45.12	320.02	1.88	-43.24
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821607	0	43	-1.0	-46.87	384.12	-1.16	-48.03
CC(O)(CNS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010821608	0	29	-1.0	-42.81	290.65	1.08	-41.73
CC(O)(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010821609	0	36	-1.0	-57.53	328.46	-1.69	-59.22
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821610	0	32	-1.0	-44.77	297.27	1.73	-43.04
COC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1Br	REAL300010821611	0	33	-1.0	-44.87	313.57	0.39	-44.48
CC(O)(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010821612	0	40	-1.0	-46.02	341.30	1.70	-44.32
CC(O)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010821613	0	37	-1.0	-48.32	342.60	-2.81	-51.13
CCC(=O)NCC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1OC	REAL300010821614	0	46	-1.0	-53.53	394.56	-0.42	-53.95
COC1=CC=C(Br)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821615	0	33	-1.0	-47.07	309.54	0.46	-46.61
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821616	0	38	-1.0	-51.85	345.81	-1.17	-53.02
CC(O)(CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010821617	0	31	-1.0	-44.82	312.11	0.37	-44.45
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821618	0	34	-1.0	-51.42	305.71	0.86	-50.56
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010821619	0	30	-1.0	-44.27	305.96	1.46	-42.81
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Br	REAL300010821620	0	36	-1.0	-44.75	335.41	1.31	-43.44
CC(O)(CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010821621	0	34	-1.0	-45.86	314.31	-4.12	-49.98
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2S1	REAL300010821622	0	43	-1.0	-46.96	376.84	2.41	-44.55
COC(=O)CC1(CS(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821623	0	38	-1.0	-48.06	328.99	0.97	-47.09
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821624	0	34	-1.0	-47.16	320.78	0.56	-46.60
CC(O)(CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010821625	0	34	-1.0	-46.01	299.80	-0.25	-46.26
CC(O)(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010821626	0	37	-1.0	-52.93	327.29	1.68	-51.25
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821627	0	45	-1.0	-56.79	400.09	-0.91	-57.70
CC(O)(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010821628	0	35	-1.0	-53.39	307.82	-3.09	-56.48
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821629	0	39	-1.0	-50.58	344.08	1.37	-49.21
CC(O)(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010821630	0	34	-1.0	-52.54	312.11	0.63	-51.91
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1	REAL300010821631	0	39	-1.0	-46.11	329.92	1.58	-44.53
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821632	0	37	-1.0	-54.51	340.26	-3.42	-57.93
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821633	0	38	-1.0	-50.47	335.50	2.01	-48.46
CC(O)(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010821634	0	33	-1.0	-46.01	294.17	0.56	-45.45
CSC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821635	0	33	-1.0	-45.46	303.84	1.44	-44.02
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821636	0	41	-1.0	-45.54	361.75	2.80	-42.74
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010821637	0	35	-1.0	-46.97	324.50	0.32	-46.65
CC(O)(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821638	0	35	-1.0	-49.06	326.46	2.16	-46.90
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821639	0	40	-1.0	-46.52	333.75	2.22	-44.30
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010821640	0	28	-1.0	-47.75	277.58	-0.93	-48.68
CC(O)(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010821641	0	35	-1.0	-47.50	298.08	-0.03	-47.53
CC(O)(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010821642	0	34	-1.0	-48.49	299.74	0.87	-47.62
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821643	0	32	-1.0	-46.17	300.53	1.84	-44.33
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010821644	0	37	-1.0	-48.63	323.47	-0.40	-49.03
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821645	0	45	-1.0	-49.40	378.76	1.35	-48.05
COC1=CC(Br)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1OC	REAL300010821646	0	37	-1.0	-46.21	338.77	0.38	-45.83
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1OCC	REAL300010821647	0	43	-1.0	-48.20	366.08	1.46	-46.74
CN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(=O)N(C)C1=O	REAL300010821648	0	35	-1.0	-50.50	310.41	-0.52	-51.02
CC(O)(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010821649	0	34	-1.0	-51.69	317.87	-4.63	-56.32
CC(O)(CNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010821650	0	40	-1.0	-55.21	341.66	1.57	-53.64
CC(=O)N1CCCC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821651	0	43	-1.0	-52.98	355.20	1.98	-51.00
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821652	0	37	-1.0	-49.61	323.76	2.55	-47.06
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821653	0	35	-1.0	-46.05	318.39	1.08	-44.97
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821654	0	40	-1.0	-52.32	344.43	1.57	-50.75
CNC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821655	0	36	-1.0	-48.59	320.06	-1.31	-49.90
CC(O)(CNS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010821656	0	33	-1.0	-48.44	298.14	-2.81	-51.25
CC(=O)N1C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2CC1C	REAL300010821657	0	43	-1.0	-51.79	358.41	2.02	-49.77
COC(=O)C1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=CS1	REAL300010821658	0	32	-1.0	-49.62	302.71	0.84	-48.78
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821659	0	32	-1.0	-45.82	311.49	0.18	-45.64
CC(O)(CNS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821660	0	33	-1.0	-44.41	320.29	1.60	-42.81
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821661	0	35	-1.0	-55.69	315.62	-1.03	-56.72
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010821662	0	35	-1.0	-51.98	320.20	-2.59	-54.57
CC(O)(CNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010821663	0	35	-1.0	-46.94	314.38	-2.36	-49.30
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010821664	0	35	-1.0	-47.57	315.97	-2.29	-49.86
CC1=CC2=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C2N=C1	REAL300010821665	0	37	-1.0	-54.14	317.21	2.18	-51.96
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010821666	0	35	-1.0	-49.47	310.84	1.23	-48.24
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821667	0	33	-1.0	-45.19	301.09	0.80	-44.39
CC(O)(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010821668	0	33	-1.0	-48.88	300.91	0.78	-48.10
CC(O)(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010821669	0	34	-1.0	-51.27	317.83	-4.62	-55.89
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821670	0	35	-1.0	-48.01	318.45	1.07	-46.94
CC(O)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010821671	0	41	-1.0	-50.31	372.66	-1.75	-52.06
CC(O)(CNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010821672	0	34	-1.0	-48.96	315.61	1.81	-47.15
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(Cl)=C1	REAL300010821673	0	32	-1.0	-48.22	286.91	1.18	-47.04
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010821674	0	35	-1.0	-53.79	319.14	-3.20	-56.99
CC(O)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010821675	0	35	-1.0	-54.06	324.33	-2.06	-56.12
CN1C(=O)C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2C1=O	REAL300010821676	0	36	-1.0	-49.37	329.47	-0.28	-49.65
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821677	0	37	-1.0	-47.15	331.43	1.99	-45.16
CC(O)(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010821678	0	38	-1.0	-45.20	316.28	1.56	-43.64
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CN=C12	REAL300010821679	0	37	-1.0	-48.74	319.87	1.71	-47.03
CN1C(=O)OC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821680	0	35	-1.0	-52.38	317.97	0.41	-51.97
CC(O)(CNS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010821681	0	34	-1.0	-47.89	311.34	1.91	-45.98
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821682	0	37	-1.0	-49.96	320.11	3.13	-46.83
CCOC(=O)C1CCCN(S(=O)(=O)NCC(C)(O)C(=O)[O-])C1	REAL300010821683	0	43	-1.0	-46.81	358.40	1.17	-45.64
CC(O)(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010821684	0	33	-1.0	-43.62	309.64	0.21	-43.41
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821685	0	40	-1.0	-50.29	359.96	-1.62	-51.91
CC(O)(CNS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010821686	0	29	-1.0	-45.48	271.89	0.58	-44.90
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821687	0	31	-1.0	-47.45	297.88	2.42	-45.03
CC(O)(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010821688	0	41	-1.0	-58.83	349.58	-0.24	-59.07
CC(O)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010821689	0	39	-1.0	-44.04	319.18	3.52	-40.52
CCOC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821690	0	38	-1.0	-47.67	340.30	2.00	-45.67
CCOC(=O)N1CCC(S(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821691	0	43	-1.0	-49.20	357.87	0.30	-48.90
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010821692	0	29	-1.0	-44.03	284.92	1.04	-42.99
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010821693	0	31	-1.0	-45.02	291.86	1.09	-43.93
CC(O)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010821694	0	35	-1.0	-47.72	309.59	2.69	-45.03
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821695	0	36	-1.0	-50.68	319.96	-0.70	-51.38
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821696	0	34	-1.0	-50.09	306.58	1.99	-48.10
CC(O)(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821697	0	31	-1.0	-51.79	281.21	1.93	-49.86
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821698	0	36	-1.0	-45.47	327.31	1.79	-43.68
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821699	0	36	-1.0	-45.65	314.99	0.64	-45.01
CC(O)(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010821700	0	35	-1.0	-49.06	308.13	-0.43	-49.49
CC1=CC(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1	REAL300010821701	0	38	-1.0	-45.03	311.73	2.59	-42.44
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821702	0	44	-1.0	-46.87	354.57	3.64	-43.23
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010821703	0	29	-1.0	-42.70	295.56	1.39	-41.31
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010821704	0	29	-1.0	-44.96	282.04	0.99	-43.97
CC(O)(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821705	0	32	-1.0	-44.27	302.72	1.42	-42.85
CC(O)(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010821706	0	32	-1.0	-47.16	288.82	2.01	-45.15
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821707	0	32	-1.0	-42.71	315.55	1.84	-40.87
CC(O)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010821708	0	32	-1.0	-44.56	304.05	1.48	-43.08
CC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821709	0	34	-1.0	-46.97	304.11	0.81	-46.16
CC(O)(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010821710	0	29	-1.0	-42.90	286.24	0.98	-41.92
CC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821711	0	34	-1.0	-50.68	304.14	0.80	-49.88
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2)=CO1	REAL300010821712	0	38	-1.0	-49.42	340.23	-0.48	-49.90
CC(O)(CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010821713	0	28	-1.0	-42.88	290.71	-0.51	-43.39
COC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821714	0	33	-1.0	-47.74	294.78	-0.23	-47.97
COC(=O)C1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CC=C2S1	REAL300010821715	0	38	-1.0	-53.13	349.74	3.12	-50.01
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821716	0	38	-1.0	-50.60	340.59	1.86	-48.74
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N2)C=C1	REAL300010821717	0	39	-1.0	-47.57	345.81	2.23	-45.34
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C21	REAL300010821718	0	40	-1.0	-63.01	343.01	1.50	-61.51
CC(O)(CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010821719	0	30	-1.0	-56.94	284.62	0.58	-56.36
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010821720	0	43	-1.0	-50.26	366.27	-0.08	-50.34
CC1CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC(Cl)=C2O1	REAL300010821721	0	37	-1.0	-45.15	337.42	1.53	-43.62
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010821722	0	34	-1.0	-45.04	307.86	1.59	-43.45
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010821723	0	43	-1.0	-46.55	378.75	3.05	-43.50
COC(=O)C1=COC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821724	0	32	-1.0	-48.68	303.72	-0.80	-49.48
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N1	REAL300010821725	0	40	-1.0	-53.21	351.57	1.21	-52.00
CC(O)(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010821726	0	31	-1.0	-47.81	295.84	-0.07	-47.88
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821727	0	39	-1.0	-53.12	341.90	1.07	-52.05
CC(=O)NC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1C	REAL300010821728	0	39	-1.0	-57.42	338.24	0.22	-57.20
CN1CCCC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C21	REAL300010821729	0	41	-1.0	-47.25	337.86	0.97	-46.28
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN=C1Cl	REAL300010821730	0	31	-1.0	-43.75	294.29	-0.37	-44.12
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010821731	0	35	-1.0	-49.36	315.03	-0.53	-49.89
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821732	0	38	-1.0	-46.36	336.63	2.06	-44.30
COC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC(OC)=C1	REAL300010821733	0	37	-1.0	-48.73	322.82	-0.94	-49.67
CN1C=NC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821734	0	35	-1.0	-51.72	312.11	1.79	-49.93
CCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1CC	REAL300010821735	0	41	-1.0	-45.95	340.71	2.97	-42.98
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821736	0	37	-1.0	-43.01	314.56	2.44	-40.57
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(C)O1	REAL300010821737	0	35	-1.0	-49.25	322.43	-0.06	-49.31
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010821738	0	30	-1.0	-44.98	285.85	-1.70	-46.68
COC(=O)C1=NSC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821739	0	31	-1.0	-48.59	296.32	-0.69	-49.28
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC(C)=C1F	REAL300010821740	0	35	-1.0	-44.23	310.87	1.79	-42.44
CC(O)(CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010821741	0	37	-1.0	-52.54	323.23	-1.13	-53.67
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN1C	REAL300010821742	0	36	-1.0	-48.84	324.82	0.51	-48.33
CC(O)(CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010821743	0	29	-1.0	-43.05	286.97	1.05	-42.00
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821744	0	40	-1.0	-46.15	346.26	2.25	-43.90
CC(O)(CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010821745	0	32	-1.0	-48.02	309.99	1.69	-46.33
CN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(N)=O	REAL300010821746	0	34	-1.0	-49.35	305.59	-3.43	-52.78
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821747	0	32	-1.0	-44.23	295.29	1.85	-42.38
CCOC(=O)C1CCCN1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821748	0	40	-1.0	-49.62	339.24	0.84	-48.78
CNC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN1C	REAL300010821749	0	37	-1.0	-49.45	327.53	-1.94	-51.39
COC1=CC(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1	REAL300010821750	0	39	-1.0	-45.93	319.20	1.20	-44.73
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010821751	0	37	-1.0	-49.31	325.09	-0.34	-49.65
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821752	0	38	-1.0	-49.38	342.21	1.81	-47.57
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010821753	0	40	-1.0	-49.21	339.15	0.55	-48.66
COC(=O)C1=CC=CC(CS(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821754	0	38	-1.0	-54.03	342.22	1.78	-52.25
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])O1	REAL300010821755	0	35	-1.0	-48.16	325.24	0.18	-47.98
CC(O)(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010821756	0	40	-1.0	-47.65	348.05	4.57	-43.08
COC(=O)COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821757	0	39	-1.0	-52.35	349.51	1.34	-51.01
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821758	0	42	-1.0	-48.64	370.46	1.49	-47.15
COC1=CC(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821759	0	39	-1.0	-47.15	328.80	1.24	-45.91
CC(O)(CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010821760	0	33	-1.0	-50.67	302.19	0.82	-49.85
CC(O)(CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010821761	0	32	-1.0	-48.07	301.55	2.59	-45.48
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821762	0	31	-1.0	-46.58	302.67	2.57	-44.01
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821763	0	34	-1.0	-50.45	297.51	2.80	-47.65
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010821764	0	31	-1.0	-42.95	308.56	1.86	-41.09
CC(O)(CNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010821765	0	26	-1.0	-45.42	271.99	-0.13	-45.55
CC(O)(CNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010821766	0	33	-1.0	-47.78	301.43	0.80	-46.98
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010821767	0	37	-1.0	-48.09	309.58	1.60	-46.49
CC(O)(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010821768	0	31	-1.0	-47.96	299.11	-0.22	-48.18
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010821769	0	37	-1.0	-51.36	321.69	-0.64	-52.00
CC(O)(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010821770	0	34	-1.0	-49.49	299.94	0.98	-48.51
CC(O)(CNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010821771	0	28	-1.0	-45.22	281.85	-0.80	-46.02
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010821772	0	31	-1.0	-47.12	290.32	0.88	-46.24
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010821773	0	31	-1.0	-43.55	308.04	1.54	-42.01
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821774	0	38	-1.0	-49.99	339.80	-1.15	-51.14
CCN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010821775	0	34	-1.0	-50.97	313.86	1.33	-49.64
CC(O)(CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821776	0	31	-1.0	-50.53	296.87	1.79	-48.74
CC(O)(CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821777	0	31	-1.0	-43.23	298.46	1.19	-42.04
CC(O)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010821778	0	36	-1.0	-46.39	334.56	1.10	-45.29
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821779	0	31	-1.0	-47.21	302.45	2.52	-44.69
CC(O)(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010821780	0	43	-1.0	-46.76	374.89	3.69	-43.07
CC(O)(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010821781	0	44	-1.0	-51.48	342.84	2.77	-48.71
CC(O)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010821782	0	37	-1.0	-58.23	335.63	-3.08	-61.31
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821783	0	37	-1.0	-50.74	326.73	1.68	-49.06
CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821784	0	42	-1.0	-46.71	349.46	-0.79	-47.50
COC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010821785	0	38	-1.0	-48.48	342.69	1.65	-46.83
CC(O)(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010821786	0	39	-1.0	-47.18	349.82	2.00	-45.18
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821787	0	51	-1.0	-45.54	396.14	3.16	-42.38
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821788	0	35	-1.0	-49.19	334.79	1.82	-47.37
CC(O)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010821789	0	37	-1.0	-51.28	340.72	-2.96	-54.24
CC(O)(CNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010821790	0	35	-1.0	-52.30	328.74	-2.04	-54.34
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(F)C=C1F	REAL300010821791	0	32	-1.0	-46.38	288.61	0.87	-45.51
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821792	0	36	-1.0	-45.23	323.62	1.42	-43.81
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821793	0	41	-1.0	-47.67	354.56	1.99	-45.68
CC1=CN(C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2F)N=C1	REAL300010821794	0	39	-1.0	-53.87	348.26	2.45	-51.42
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821795	0	36	-1.0	-47.77	337.16	-0.65	-48.42
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821796	0	36	-1.0	-53.17	327.48	-4.84	-58.01
CC1=CC(F)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821797	0	32	-1.0	-45.96	288.61	0.88	-45.08
CC1=CC(Cl)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821798	0	34	-1.0	-44.30	309.58	1.66	-42.64
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010821799	0	35	-1.0	-47.80	317.40	1.68	-46.12
CC(O)(CNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010821800	0	26	-1.0	-42.30	280.71	0.24	-42.06
CC(O)(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010821801	0	41	-1.0	-48.92	357.56	2.43	-46.49
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010821802	0	29	-1.0	-46.07	283.20	0.80	-45.27
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(F)(F)F	REAL300010821803	0	35	-1.0	-47.38	318.07	1.94	-45.44
CC(O)(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010821804	0	35	-1.0	-49.95	336.67	1.19	-48.76
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C12	REAL300010821805	0	37	-1.0	-46.93	330.15	0.17	-46.76
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821806	0	36	-1.0	-48.72	332.29	1.02	-47.70
CC(O)(CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010821807	0	32	-1.0	-48.59	314.01	1.80	-46.79
CC1=NOC2=NC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C12	REAL300010821808	0	33	-1.0	-46.56	303.59	-2.57	-49.13
CC(O)(CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010821809	0	38	-1.0	-47.24	345.18	3.26	-43.98
CC(O)(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010821810	0	31	-1.0	-47.96	299.11	-0.22	-48.18
CC(O)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010821811	0	31	-1.0	-46.60	308.29	1.83	-44.77
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821812	0	35	-1.0	-48.84	314.25	1.99	-46.85
CC(O)(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010821813	0	32	-1.0	-47.28	300.97	1.58	-45.70
CC(O)(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010821814	0	41	-1.0	-61.46	360.43	-1.05	-62.51
CC(O)(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010821815	0	36	-1.0	-46.68	333.39	0.93	-45.75
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010821816	0	29	-1.0	-44.77	286.60	1.10	-43.67
COC1=CC(OC)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Br	REAL300010821817	0	37	-1.0	-45.54	334.10	0.25	-45.29
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN=C21	REAL300010821818	0	37	-1.0	-45.65	332.98	-2.10	-47.75
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1F	REAL300010821819	0	38	-1.0	-48.38	344.85	2.02	-46.36
CC(O)(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010821820	0	37	-1.0	-49.10	325.49	1.06	-48.04
CC(O)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010821821	0	32	-1.0	-45.78	319.47	2.39	-43.39
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010821822	0	35	-1.0	-44.18	327.48	3.16	-41.02
CC(O)(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300010821823	0	32	-1.0	-48.49	306.40	1.81	-46.68
CC(O)(CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010821824	0	35	-1.0	-48.81	310.28	3.23	-45.58
CC(O)(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010821825	0	35	-1.0	-49.02	321.39	3.28	-45.74
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C2O1	REAL300010821826	0	43	-1.0	-50.67	377.32	2.69	-47.98
CC(O)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010821827	0	35	-1.0	-49.61	328.75	-2.05	-51.66
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821828	0	42	-1.0	-51.29	371.06	1.98	-49.31
CC(O)(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010821829	0	40	-1.0	-52.61	363.85	-2.48	-55.09
CC(O)(CNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010821830	1	30	-1.0	-46.34	293.13	1.12	-45.22
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1N(C)C	REAL300010821831	0	40	-1.0	-45.31	338.54	1.08	-44.23
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821832	0	34	-1.0	-48.17	318.99	2.35	-45.82
CC(O)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010821833	0	32	-1.0	-65.81	293.79	0.57	-65.24
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821834	0	35	-1.0	-47.16	324.62	2.46	-44.70
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821835	0	41	-1.0	-45.66	337.66	0.94	-44.72
CC(O)(CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010821836	0	34	-1.0	-46.78	299.75	0.31	-46.47
CC(O)(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010821837	0	35	-1.0	-53.32	324.34	-2.06	-55.38
CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821838	0	43	-1.0	-47.61	358.44	1.22	-46.39
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821839	0	37	-1.0	-53.54	317.41	2.22	-51.32
CC(O)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010821840	0	44	-1.0	-55.18	385.57	-0.45	-55.63
CCC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821841	0	39	-1.0	-50.35	340.28	0.12	-50.23
CC(O)(CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010821842	0	32	-1.0	-48.26	309.44	1.67	-46.59
CC(O)(CNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821843	0	30	-1.0	-51.89	278.72	1.12	-50.77
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821844	0	38	-1.0	-51.16	332.20	2.22	-48.94
CC(O)(CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010821845	0	29	-1.0	-45.07	271.70	0.54	-44.53
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821846	0	48	-1.0	-59.55	395.44	4.01	-55.54
CC(O)(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010821847	0	32	-1.0	-48.04	314.51	2.05	-45.99
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821848	0	36	-1.0	-53.44	332.03	-0.31	-53.75
CC1CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C2O1	REAL300010821849	0	37	-1.0	-46.75	320.89	1.07	-45.68
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821850	0	33	-1.0	-44.58	310.79	0.33	-44.25
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821851	0	41	-1.0	-50.51	351.78	-0.55	-51.06
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CS1	REAL300010821852	0	32	-1.0	-46.68	310.92	0.08	-46.60
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821853	0	38	-1.0	-48.92	346.39	2.91	-46.01
CC(O)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010821854	0	40	-1.0	-47.94	369.04	3.77	-44.17
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821855	0	38	-1.0	-47.90	328.07	1.76	-46.14
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821856	0	31	-1.0	-42.78	313.35	1.75	-41.03
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821857	0	33	-1.0	-43.53	319.60	1.07	-42.46
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821858	0	41	-1.0	-45.70	343.01	1.06	-44.64
CC(O)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821859	0	31	-1.0	-45.85	291.87	1.09	-44.76
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2)=C1	REAL300010821860	0	43	-1.0	-46.75	373.76	3.93	-42.82
COC1=CC=C(C)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821861	0	36	-1.0	-47.56	305.57	0.91	-46.65
CN(CCS(=O)(=O)NCC(C)(O)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010821862	0	43	-1.0	-54.16	390.45	-0.59	-54.75
CC(O)(CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010821863	0	32	-1.0	-51.02	295.58	-2.04	-53.06
CN1C(=O)CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821864	0	37	-1.0	-47.60	327.13	0.91	-46.69
CC(O)(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010821865	0	29	-1.0	-43.87	291.41	1.52	-42.35
COC(=O)C1CCN(S(=O)(=O)NCC(C)(O)C(=O)[O-])CC1	REAL300010821866	0	40	-1.0	-49.11	334.49	0.13	-48.98
COC1=C(C)C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821867	0	39	-1.0	-46.20	337.42	1.34	-44.86
COC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C(C(=O)OC)S1	REAL300010821868	0	38	-1.0	-49.90	358.86	1.64	-48.26
COCC1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821869	0	36	-1.0	-46.93	318.71	0.14	-46.79
CC(O)(CNS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010821870	0	29	-1.0	-51.13	295.70	0.51	-50.62
CC(O)(CNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010821871	0	38	-1.0	-50.46	342.56	2.29	-48.17
CC(O)(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010821872	0	35	-1.0	-47.69	330.26	1.13	-46.56
CC(O)(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010821873	0	35	-1.0	-49.68	346.99	1.64	-48.04
CC(O)(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010821874	0	32	-1.0	-47.99	302.78	-1.38	-49.37
CC1=NC2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2O1	REAL300010821875	0	34	-1.0	-48.11	307.48	-1.89	-50.00
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821876	0	41	-1.0	-45.06	320.79	3.60	-41.46
CC1=CC(Br)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821878	0	29	-1.0	-44.92	293.62	0.63	-44.29
CC(O)(CNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010821879	0	34	-1.0	-52.42	319.54	0.98	-51.44
CC1=CC=C(CS(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C	REAL300010821880	0	38	-1.0	-48.16	325.81	2.33	-45.83
CC1=C(Br)SC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300010821881	1	28	-1.0	-43.01	291.99	-1.36	-44.37
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821882	0	34	-1.0	-48.64	311.04	2.01	-46.63
CC(O)(CNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010821883	0	33	-1.0	-45.90	316.41	-0.72	-46.62
CC(O)(CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821884	0	34	-1.0	-57.46	305.46	2.20	-55.26
CC(O)(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821885	0	37	-1.0	-56.50	328.56	2.32	-54.18
CC(O)(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010821886	0	37	-1.0	-50.68	337.11	2.59	-48.09
CC1=NN2C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=NC2=C1Cl	REAL300010821887	0	34	-1.0	-47.08	323.28	0.32	-46.76
CCCCCCN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(=O)NC1=O	REAL300010821888	0	47	-1.0	-58.00	394.84	1.07	-56.93
CC(O)(CNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010821890	0	32	-1.0	-50.44	298.23	1.23	-49.21
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=CC1=C23	REAL300010821891	0	40	-1.0	-49.85	349.72	2.35	-47.50
CC(O)(CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010821892	0	33	-1.0	-49.86	313.57	1.55	-48.31
CC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010821893	0	34	-1.0	-44.09	316.90	1.77	-42.32
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821894	0	35	-1.0	-47.24	314.29	2.03	-45.21
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(OC)=C1	REAL300010821895	0	44	-1.0	-51.37	379.16	-2.08	-53.45
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821896	1	44	-1.0	-48.64	380.86	-2.15	-50.79
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821897	0	43	-1.0	-47.31	385.56	-1.13	-48.44
CC(O)(CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010821898	0	43	-1.0	-53.66	369.53	1.62	-52.04
CC(O)(CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010821899	0	32	-1.0	-62.23	300.87	0.27	-61.96
CC1=CC=C(Br)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821900	0	32	-1.0	-45.83	301.51	1.82	-44.01
CC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821901	0	32	-1.0	-47.94	286.71	1.14	-46.80
CC(O)(CNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010821902	0	32	-1.0	-48.89	299.12	1.23	-47.66
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821903	0	40	-1.0	-47.46	364.07	-1.92	-49.38
CC(O)(CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010821904	0	28	-1.0	-47.57	281.47	-0.17	-47.74
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=CC=C12	REAL300010821905	0	40	-1.0	-47.95	350.28	1.45	-46.50
CC(O)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010821906	0	32	-1.0	-46.80	320.85	2.20	-44.60
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010821907	0	37	-1.0	-58.58	335.80	-1.46	-60.04
CC(O)(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010821908	0	29	-1.0	-42.59	294.63	1.87	-40.72
CC(O)(CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010821909	0	28	-1.0	-42.90	277.80	-0.86	-43.76
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N1	REAL300010821910	0	34	-1.0	-47.13	314.58	-0.73	-47.86
CC(O)(CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010821911	0	32	-1.0	-51.03	321.87	-2.90	-53.93
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821912	0	48	-1.0	-52.86	418.47	1.39	-51.47
CC(O)(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010821913	0	37	-1.0	-47.09	317.34	1.04	-46.05
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821914	0	39	-1.0	-45.78	332.92	1.26	-44.52
COCC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821915	0	36	-1.0	-46.74	318.71	0.15	-46.59
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010821916	0	38	-1.0	-54.46	352.71	0.34	-54.12
CC(O)(CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010821917	0	40	-1.0	-49.13	339.72	7.20	-41.93
CC1=CC=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1Cl	REAL300010821918	0	32	-1.0	-48.67	284.04	1.07	-47.60
CC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C1Br	REAL300010821919	0	34	-1.0	-45.30	321.22	1.45	-43.85
CN1C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010821920	0	40	-1.0	-47.96	368.34	-0.63	-48.59
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C2)CC1	REAL300010821921	0	42	-1.0	-49.13	362.17	3.09	-46.04
CC(O)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010821922	0	33	-1.0	-47.83	322.41	1.87	-45.96
CC(O)(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010821923	0	38	-1.0	-52.75	330.54	4.28	-48.47
CC(O)(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010821924	0	32	-1.0	-46.05	289.89	-0.89	-46.94
CC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010821925	0	37	-1.0	-52.33	312.04	1.95	-50.38
CC(O)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010821926	0	35	-1.0	-48.36	290.53	1.46	-46.90
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C2=CC=CC=C12	REAL300010821927	0	42	-1.0	-57.03	356.36	1.81	-55.22
CC(O)(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010821928	0	41	-1.0	-47.89	337.52	-2.58	-50.47
CC(O)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010821929	0	35	-1.0	-44.73	332.45	-1.46	-46.19
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821930	0	38	-1.0	-45.66	346.90	2.10	-43.56
COCC1=CC=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821931	0	36	-1.0	-45.89	310.33	0.57	-45.32
CCC1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010821932	0	38	-1.0	-48.48	342.85	0.75	-47.73
CC(O)(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010821933	0	46	-1.0	-55.44	379.10	2.34	-53.10
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821934	0	42	-1.0	-47.18	374.84	2.05	-45.13
CC(O)(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010821935	0	30	-1.0	-47.03	286.26	0.91	-46.12
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821936	0	33	-1.0	-42.77	311.17	0.92	-41.85
CC(O)(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010821937	0	36	-1.0	-55.06	309.62	0.49	-54.57
CC(O)(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010821938	0	34	-1.0	-50.62	310.95	0.50	-50.12
CC(O)(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010821939	0	49	-1.0	-54.49	387.94	2.18	-52.31
CC(O)(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010821940	0	43	-1.0	-50.50	357.03	0.68	-49.82
CC(O)(CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010821941	0	40	-1.0	-50.45	362.84	1.23	-49.22
CCOC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=N1	REAL300010821942	0	35	-1.0	-44.89	312.87	-1.93	-46.82
CC(O)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010821943	0	31	-1.0	-46.05	298.57	-0.31	-46.36
COC(=O)C1=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])SC=N1	REAL300010821944	1	31	-1.0	-51.36	296.80	-1.32	-52.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821945	0	35	-1.0	-48.11	325.03	1.18	-46.93
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2)=CO1	REAL300010823001	0	40	-1.0	-50.69	347.38	2.59	-48.10
CC(C)(CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010823002	0	30	-1.0	-44.59	297.46	2.61	-41.98
COC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823003	0	35	-1.0	-48.89	301.53	2.88	-46.01
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010823004	0	40	-1.0	-56.09	356.50	6.24	-49.85
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823005	0	40	-1.0	-52.33	347.93	4.96	-47.37
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300010823006	0	41	-1.0	-49.40	352.36	5.32	-44.08
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823007	0	42	-1.0	-66.28	350.15	4.57	-61.71
CC(C)(CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010823008	0	32	-1.0	-58.94	291.38	3.68	-55.26
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010823009	0	45	-1.0	-51.49	373.19	3.07	-48.42
CC1CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010823010	0	39	-1.0	-46.53	344.76	4.63	-41.90
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010823011	0	36	-1.0	-46.77	315.21	4.69	-42.08
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010823012	0	45	-1.0	-48.98	385.31	6.14	-42.84
COC(=O)C1=COC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823013	0	34	-1.0	-50.24	310.86	2.25	-47.99
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823014	0	42	-1.0	-55.77	358.72	4.27	-51.50
CC(C)(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010823015	0	33	-1.0	-50.06	302.98	3.00	-47.06
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823016	0	41	-1.0	-52.91	338.03	3.78	-49.13
CC(=O)NC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1C	REAL300010823017	0	41	-1.0	-59.78	345.29	3.32	-56.46
CN1CCCC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823018	0	43	-1.0	-48.96	345.19	4.07	-44.89
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300010823019	0	33	-1.0	-45.16	301.63	2.74	-42.42
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010823020	0	37	-1.0	-51.00	321.78	2.58	-48.42
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823021	0	40	-1.0	-48.43	343.39	5.17	-43.26
COC1=CC(OC)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823022	0	39	-1.0	-50.67	329.96	2.12	-48.55
CN1C=NC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823023	0	37	-1.0	-53.03	319.25	4.86	-48.17
CCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1CC	REAL300010823024	0	43	-1.0	-47.72	348.05	6.08	-41.64
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823025	0	39	-1.0	-44.51	321.89	5.53	-38.98
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C)O1	REAL300010823026	0	37	-1.0	-51.81	329.76	3.06	-48.75
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010823027	0	32	-1.0	-47.10	292.59	1.41	-45.69
COC(=O)C1=NSC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823028	0	33	-1.0	-49.14	303.38	2.37	-46.77
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC(C)=C1F	REAL300010823029	0	37	-1.0	-46.10	318.01	4.86	-41.24
CC(C)(CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010823030	0	39	-1.0	-53.48	330.57	1.97	-51.51
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN1C	REAL300010823031	0	38	-1.0	-49.64	332.16	3.61	-46.03
CC(C)(CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010823032	0	31	-1.0	-45.20	293.53	4.12	-41.08
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823033	0	42	-1.0	-47.33	353.59	5.36	-41.97
CC(C)(CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010823034	0	34	-1.0	-49.02	316.75	4.81	-44.21
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(N)=O	REAL300010823035	0	36	-1.0	-50.76	312.93	-0.33	-51.09
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823036	0	34	-1.0	-46.34	302.42	4.94	-41.40
CCOC(=O)C1CCCN1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823037	0	42	-1.0	-50.70	345.80	3.92	-46.78
CNC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN1C	REAL300010823038	0	39	-1.0	-50.92	334.29	1.17	-49.75
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1	REAL300010823039	0	41	-1.0	-47.80	325.96	4.31	-43.49
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010823040	0	39	-1.0	-50.26	331.85	2.76	-47.50
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823041	0	40	-1.0	-50.28	349.55	4.90	-45.38
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010823042	0	42	-1.0	-50.92	346.49	3.65	-47.27
COC(=O)C1=CC=CC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823043	0	40	-1.0	-55.47	348.97	4.90	-50.57
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])O1	REAL300010823044	0	37	-1.0	-50.73	331.80	3.25	-47.48
CC(C)(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010823045	0	42	-1.0	-49.64	354.61	7.65	-41.99
COC(=O)COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823046	0	41	-1.0	-51.17	356.82	4.44	-46.73
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823047	0	44	-1.0	-50.25	377.22	4.61	-45.64
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823048	0	41	-1.0	-49.39	336.08	4.35	-45.04
CC(C)(CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010823049	0	35	-1.0	-51.22	309.34	3.89	-47.33
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823050	0	34	-1.0	-48.87	308.71	5.66	-43.21
CC(C)(CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823051	0	33	-1.0	-46.99	309.79	5.63	-41.36
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823052	0	36	-1.0	-50.39	304.65	5.87	-44.52
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010823053	0	33	-1.0	-44.35	315.11	4.94	-39.41
CC(C)(CNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010823054	0	28	-1.0	-46.38	278.55	2.94	-43.44
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010823055	0	35	-1.0	-49.47	308.23	3.88	-45.59
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010823056	0	39	-1.0	-50.11	316.34	4.71	-45.40
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010823057	0	33	-1.0	-48.62	306.44	2.87	-45.75
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010823058	0	39	-1.0	-53.59	329.03	2.46	-51.13
CC(C)(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010823059	0	36	-1.0	-51.01	306.73	4.09	-46.92
CC(C)(CNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010823060	0	30	-1.0	-46.47	289.18	2.30	-44.17
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010823061	0	33	-1.0	-49.45	296.88	3.95	-45.50
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010823062	0	33	-1.0	-44.93	314.80	4.66	-40.27
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823063	0	40	-1.0	-51.48	347.03	1.92	-49.56
CCN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010823064	0	36	-1.0	-51.80	320.42	4.42	-47.38
CC(C)(CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823065	0	33	-1.0	-50.97	304.17	4.89	-46.08
CC(C)(CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823066	0	33	-1.0	-44.47	305.60	4.26	-40.21
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010823067	0	38	-1.0	-47.76	341.31	4.21	-43.55
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823068	0	33	-1.0	-48.19	309.78	5.62	-42.57
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010823069	0	45	-1.0	-48.47	382.23	6.80	-41.67
CC(C)(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010823070	0	46	-1.0	-52.13	349.60	5.89	-46.24
CC(C)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010823071	0	39	-1.0	-61.00	342.19	-0.02	-61.02
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823072	0	39	-1.0	-51.70	333.48	4.80	-46.90
CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823073	0	44	-1.0	-47.90	356.02	2.29	-45.61
COC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010823074	0	40	-1.0	-50.19	349.46	4.76	-45.43
CC(C)(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010823075	0	41	-1.0	-48.48	356.95	5.07	-43.41
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823076	0	53	-1.0	-47.33	403.26	6.29	-41.04
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823077	0	37	-1.0	-51.18	342.20	4.92	-46.26
CC(C)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010823078	0	39	-1.0	-52.43	348.06	0.14	-52.29
CC(C)(CNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010823079	0	37	-1.0	-54.29	335.50	1.08	-53.21
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(F)C=C1F	REAL300010823080	0	34	-1.0	-48.66	295.37	3.97	-44.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823081	0	38	-1.0	-46.13	330.96	4.53	-41.60
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823082	0	43	-1.0	-49.57	361.12	5.05	-44.52
CC1=CN(C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2F)N=C1	REAL300010823083	0	41	-1.0	-56.30	355.01	5.56	-50.74
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823084	0	38	-1.0	-49.55	344.51	2.46	-47.09
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823085	0	38	-1.0	-53.77	334.82	-1.73	-55.50
CC1=CC(F)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823086	0	34	-1.0	-47.92	295.37	3.99	-43.93
CC1=CC(Cl)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823087	0	36	-1.0	-44.89	316.92	4.76	-40.13
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010823088	0	37	-1.0	-50.36	324.75	4.78	-45.58
CC(C)(CNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010823089	0	28	-1.0	-43.35	288.10	3.35	-40.00
CC(C)(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010823090	0	43	-1.0	-50.76	364.70	5.50	-45.26
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010823091	0	31	-1.0	-48.01	290.54	3.90	-44.11
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010823092	0	37	-1.0	-49.78	325.40	5.04	-44.74
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010823093	0	37	-1.0	-52.45	343.22	4.27	-48.18
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C12	REAL300010823094	0	39	-1.0	-48.75	336.71	3.26	-45.49
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823095	0	38	-1.0	-49.83	339.05	4.13	-45.70
CC(C)(CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010823096	0	34	-1.0	-50.02	320.77	4.88	-45.14
CC1=NOC2=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C12	REAL300010823097	0	35	-1.0	-48.04	310.15	0.51	-47.53
CC(C)(CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010823098	0	40	-1.0	-48.92	351.94	6.37	-42.55
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010823099	0	33	-1.0	-48.62	306.44	2.87	-45.75
CC(C)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010823100	0	33	-1.0	-48.41	315.12	4.96	-43.45
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823101	0	37	-1.0	-49.83	321.00	5.09	-44.74
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010823102	0	34	-1.0	-48.17	307.73	4.68	-43.49
CC(C)(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010823103	0	43	-1.0	-64.04	366.99	2.04	-62.00
CC(C)(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010823104	0	38	-1.0	-47.48	340.15	4.03	-43.45
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010823105	0	31	-1.0	-45.63	293.94	4.20	-41.43
COC1=CC(OC)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Br	REAL300010823106	0	39	-1.0	-46.36	341.44	3.34	-43.02
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C21	REAL300010823107	0	39	-1.0	-46.90	339.74	1.02	-45.88
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010823108	0	40	-1.0	-50.54	351.60	5.14	-45.40
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010823109	0	39	-1.0	-50.25	332.81	4.17	-46.08
CC(C)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010823110	0	34	-1.0	-47.71	326.61	5.45	-42.26
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010823111	0	37	-1.0	-45.29	334.23	6.26	-39.03
CC(C)(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010823112	0	34	-1.0	-49.10	313.73	4.92	-44.18
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010823113	0	37	-1.0	-50.34	317.62	6.33	-44.01
CC(C)(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010823114	0	37	-1.0	-50.38	328.71	6.38	-44.00
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010823115	0	45	-1.0	-52.73	383.88	5.77	-46.96
CC(C)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010823116	0	37	-1.0	-51.12	336.08	1.06	-50.06
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823117	0	44	-1.0	-52.71	378.40	5.09	-47.62
CC(C)(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010823118	0	42	-1.0	-53.29	370.99	0.58	-52.71
CC(C)(CNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010823119	1	32	-1.0	-47.65	299.69	4.20	-43.45
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1N(C)C	REAL300010823120	0	42	-1.0	-46.90	345.59	4.17	-42.73
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823121	0	36	-1.0	-50.78	326.39	5.46	-45.32
CC(C)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010823122	0	34	-1.0	-67.67	300.31	3.69	-63.98
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823123	0	37	-1.0	-47.90	331.16	5.54	-42.36
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823124	0	43	-1.0	-47.20	344.22	4.00	-43.20
CC(C)(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010823125	0	37	-1.0	-54.71	331.68	1.04	-53.67
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010823126	0	47	-1.0	-51.38	390.67	1.18	-50.20
CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823127	0	45	-1.0	-48.38	364.99	4.29	-44.09
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823128	0	39	-1.0	-54.59	324.55	5.29	-49.30
CC(C)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010823129	0	46	-1.0	-57.92	392.91	2.65	-55.27
CCC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823130	0	41	-1.0	-51.64	347.03	3.24	-48.40
CC(C)(CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010823131	0	34	-1.0	-49.61	316.20	4.78	-44.83
CC(C)(CNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823132	0	32	-1.0	-52.21	285.33	4.20	-48.01
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823133	0	40	-1.0	-51.98	338.96	5.32	-46.66
CC(C)(CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010823134	0	31	-1.0	-45.87	279.05	3.64	-42.23
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823135	0	50	-1.0	-55.19	401.79	6.65	-48.54
CC(C)(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010823136	0	34	-1.0	-49.25	321.06	5.14	-44.11
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823137	0	38	-1.0	-55.88	338.50	2.81	-53.07
CC1CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010823138	0	39	-1.0	-48.63	328.03	4.12	-44.51
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823139	0	35	-1.0	-45.55	318.13	3.43	-42.12
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823140	0	43	-1.0	-52.06	358.33	2.53	-49.53
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CS1	REAL300010823141	0	34	-1.0	-47.61	317.68	3.20	-44.41
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823142	0	40	-1.0	-50.20	353.72	6.03	-44.17
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010823143	0	42	-1.0	-49.82	375.79	6.89	-42.93
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1C	REAL300010823144	0	40	-1.0	-49.14	335.57	4.84	-44.30
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823145	0	33	-1.0	-43.94	320.49	4.81	-39.13
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823146	0	35	-1.0	-45.13	326.53	4.19	-40.94
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823147	0	43	-1.0	-47.18	350.15	4.12	-43.06
CC(C)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823148	0	33	-1.0	-46.65	298.62	4.20	-42.45
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010823149	0	45	-1.0	-48.33	381.07	7.04	-41.29
COC1=CC=C(C)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823150	0	38	-1.0	-48.72	312.91	4.01	-44.71
CN(CCS(=O)(=O)NCC(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010823151	0	45	-1.0	-56.14	397.59	2.48	-53.66
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010823152	0	34	-1.0	-53.52	302.72	1.02	-52.50
CN1C(=O)CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823153	0	39	-1.0	-49.24	333.83	3.94	-45.30
CC(C)(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010823154	0	31	-1.0	-45.48	298.16	4.62	-40.86
COC(=O)C1CCN(S(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823155	0	42	-1.0	-50.57	341.25	3.25	-47.32
COC1=C(C)C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823156	0	41	-1.0	-48.13	344.56	4.40	-43.73
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010823157	0	40	-1.0	-51.09	365.76	4.76	-46.33
COCC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823158	0	38	-1.0	-48.45	325.46	3.24	-45.21
CC(C)(CNS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010823159	0	31	-1.0	-53.67	302.46	3.61	-50.06
CC(C)(CNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010823160	0	40	-1.0	-50.84	349.70	5.37	-45.47
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010823161	0	37	-1.0	-48.68	337.40	4.18	-44.50
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010823162	0	37	-1.0	-52.25	353.55	4.72	-47.53
CC(C)(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010823163	0	34	-1.0	-49.62	309.92	1.75	-47.87
CC1=NC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2O1	REAL300010823164	0	36	-1.0	-49.94	314.04	1.19	-48.75
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823165	0	43	-1.0	-46.86	327.36	6.70	-40.16
CC1=CC(Br)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823167	0	31	-1.0	-46.67	300.96	3.74	-42.93
CC(C)(CNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010823168	0	36	-1.0	-55.07	326.29	4.09	-50.98
CC1=C(Br)SC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300010823169	1	30	-1.0	-44.55	298.75	1.76	-42.79
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823170	0	36	-1.0	-51.18	318.44	5.12	-46.06
CC(C)(CNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010823171	0	35	-1.0	-47.44	323.17	2.39	-45.05
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823172	0	36	-1.0	-59.54	312.22	5.31	-54.23
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823173	0	39	-1.0	-58.79	335.90	5.41	-53.38
CC(C)(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010823174	0	39	-1.0	-51.57	343.87	5.71	-45.86
CC1=NN2C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=NC2=C1Cl	REAL300010823175	0	36	-1.0	-49.05	329.84	3.38	-45.67
CCCCCCN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010823176	0	49	-1.0	-61.52	401.38	4.13	-57.39
CC(C)(CNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010823178	0	34	-1.0	-51.77	305.37	4.30	-47.47
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC1=C23	REAL300010823179	0	42	-1.0	-52.11	356.27	5.44	-46.67
CC(C)(CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010823180	0	35	-1.0	-50.80	320.91	4.65	-46.15
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010823181	0	36	-1.0	-45.09	323.45	4.84	-40.25
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823182	0	37	-1.0	-47.89	321.43	5.10	-42.79
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010823183	0	46	-1.0	-51.77	385.71	0.99	-50.78
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823184	1	46	-1.0	-49.06	386.17	0.64	-48.42
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823185	0	45	-1.0	-48.81	392.32	1.99	-46.82
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010823186	0	45	-1.0	-56.05	376.87	4.72	-51.33
CC(C)(CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010823187	0	34	-1.0	-64.31	307.63	3.38	-60.93
CC1=CC=C(Br)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823188	0	34	-1.0	-47.32	308.89	4.94	-42.38
CC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823189	0	34	-1.0	-49.30	293.47	4.25	-45.05
CC(C)(CNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010823190	0	34	-1.0	-50.37	305.88	4.35	-46.02
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823191	0	42	-1.0	-48.84	370.82	1.20	-47.64
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010823192	0	30	-1.0	-49.49	288.08	2.90	-46.59
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010823193	0	42	-1.0	-49.75	357.67	4.56	-45.19
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010823194	0	34	-1.0	-48.19	328.19	5.30	-42.89
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010823195	0	39	-1.0	-58.56	342.02	1.66	-56.90
CC(C)(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010823196	0	31	-1.0	-44.37	303.19	4.98	-39.39
CC(C)(CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823197	0	30	-1.0	-43.72	284.95	2.21	-41.51
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823198	0	36	-1.0	-49.36	321.13	2.36	-47.00
CC(C)(CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010823199	0	34	-1.0	-51.98	329.29	0.21	-51.77
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823200	0	50	-1.0	-54.76	425.82	4.50	-50.26
CC(C)(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010823201	0	39	-1.0	-48.98	324.10	4.16	-44.82
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823202	0	41	-1.0	-48.32	339.65	4.38	-43.94
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823203	0	45	-1.0	-54.78	405.71	1.15	-53.63
COCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823204	0	38	-1.0	-48.34	325.47	3.26	-45.08
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010823205	0	40	-1.0	-56.82	359.57	3.45	-53.37
CC(C)(CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010823206	0	42	-1.0	-52.41	345.86	10.32	-42.09
CC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1Cl	REAL300010823207	0	34	-1.0	-49.81	291.38	4.17	-45.64
CC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010823208	0	36	-1.0	-46.68	330.05	4.63	-42.05
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010823209	0	42	-1.0	-49.22	375.68	2.47	-46.75
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300010823210	0	44	-1.0	-51.20	369.31	6.15	-45.05
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010823211	0	35	-1.0	-48.12	329.17	4.99	-43.13
CC(C)(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010823212	0	40	-1.0	-56.07	336.80	7.31	-48.76
CC(C)(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010823213	0	34	-1.0	-47.50	297.03	2.18	-45.32
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010823214	0	39	-1.0	-53.38	318.80	5.06	-48.32
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010823215	0	37	-1.0	-47.28	292.35	4.33	-42.95
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010823216	0	44	-1.0	-59.39	363.11	4.94	-54.45
CC(C)(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010823217	0	43	-1.0	-48.62	344.08	0.51	-48.11
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010823218	0	37	-1.0	-46.31	339.59	1.61	-44.70
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823219	0	40	-1.0	-47.03	354.04	5.17	-41.86
COCC1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823220	0	38	-1.0	-47.87	317.31	3.65	-44.22
CCC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010823221	0	40	-1.0	-50.94	350.23	3.85	-47.09
CC(C)(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010823222	0	48	-1.0	-57.17	385.62	5.42	-51.75
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823223	0	44	-1.0	-49.02	381.39	5.17	-43.85
CC(C)(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010823224	0	32	-1.0	-48.31	292.82	3.97	-44.34
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823225	0	35	-1.0	-43.83	317.90	4.03	-39.80
CC(C)(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010823226	0	38	-1.0	-58.08	316.76	3.55	-54.53
CC(C)(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010823227	0	36	-1.0	-51.03	317.50	3.58	-47.45
CC(C)(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010823228	0	51	-1.0	-56.07	394.50	5.28	-50.79
CC(C)(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010823229	0	45	-1.0	-52.04	364.37	3.77	-48.27
CC(C)(CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010823230	0	42	-1.0	-47.62	369.28	4.25	-43.37
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823231	0	37	-1.0	-46.52	319.43	1.15	-45.37
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010823232	0	33	-1.0	-48.36	305.69	2.75	-45.61
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])SC=N1	REAL300010823233	1	33	-1.0	-52.15	303.94	1.75	-50.40
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823234	0	37	-1.0	-50.27	331.58	4.25	-46.02
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300010833001	0	36	-1.0	-51.03	323.23	2.71	-48.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833002	0	35	-1.0	-52.10	325.58	3.59	-48.51
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010833003	0	31	-1.0	-51.45	307.29	4.35	-47.10
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010833004	0	37	-1.0	-50.14	338.47	5.83	-44.31
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010833005	0	30	-1.0	-49.02	301.61	4.40	-44.62
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833006	0	34	-1.0	-51.93	307.52	4.53	-47.40
O=C([O-])CCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010833007	0	40	-1.0	-61.97	353.51	1.49	-60.48
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C2S1	REAL300010833008	0	42	-1.0	-49.83	381.33	4.60	-45.23
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010833009	0	35	-1.0	-51.51	326.67	3.49	-48.02
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010833010	0	28	-1.0	-47.28	279.88	3.66	-43.62
COC1=CC(OC)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833011	0	36	-1.0	-50.23	327.38	2.80	-47.43
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C21	REAL300010833012	0	36	-1.0	-50.40	326.26	0.47	-49.93
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833013	0	37	-1.0	-51.01	349.97	5.31	-45.70
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(Br)C=C1F	REAL300010833014	0	34	-1.0	-48.15	332.63	4.42	-43.73
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1F	REAL300010833015	0	37	-1.0	-50.69	338.12	4.59	-46.10
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010833016	0	36	-1.0	-53.07	318.77	3.62	-49.45
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010833017	0	31	-1.0	-47.88	312.55	4.92	-42.96
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010833018	0	34	-1.0	-48.44	320.76	5.72	-42.72
O=C([O-])CCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010833019	0	31	-1.0	-49.18	299.67	4.38	-44.80
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010833020	0	34	-1.0	-50.65	303.56	5.80	-44.85
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010833021	0	34	-1.0	-52.23	314.66	5.85	-46.38
COC1=CC(Br)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833022	0	32	-1.0	-47.65	318.87	3.58	-44.07
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2O1	REAL300010833023	0	42	-1.0	-53.22	370.40	5.22	-48.00
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833024	0	34	-1.0	-53.99	322.02	0.53	-53.46
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833025	0	41	-1.0	-54.97	364.34	4.55	-50.42
O=C([O-])CCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010833026	0	39	-1.0	-57.29	356.93	0.05	-57.24
N#CC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833027	1	29	-1.0	-49.43	286.21	3.65	-45.78
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1N(C)C	REAL300010833028	0	39	-1.0	-48.46	331.53	3.64	-44.82
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833029	0	33	-1.0	-49.65	312.30	4.92	-44.73
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833030	0	31	-1.0	-60.36	287.07	3.13	-57.23
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833031	0	34	-1.0	-50.81	317.67	5.00	-45.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833032	0	40	-1.0	-49.65	330.75	3.46	-46.19
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833033	0	34	-1.0	-57.03	317.61	0.51	-56.52
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010833034	0	44	-1.0	-53.82	376.60	0.65	-53.17
CCOC(=O)C1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1	REAL300010833035	0	42	-1.0	-51.91	351.51	3.74	-48.17
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833036	0	36	-1.0	-54.31	310.48	4.75	-49.56
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010833037	0	43	-1.0	-54.66	378.85	2.12	-52.54
CCC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833038	0	38	-1.0	-54.55	333.56	2.69	-51.86
O=C([O-])CCCNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010833039	0	31	-1.0	-51.35	302.72	4.24	-47.11
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833040	0	37	-1.0	-55.25	325.48	4.77	-50.48
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833041	0	47	-1.0	-56.95	351.20	5.45	-51.50
O=C([O-])CCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010833042	0	31	-1.0	-50.78	307.58	4.59	-46.19
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833043	0	35	-1.0	-52.78	325.02	2.26	-50.52
COC1=CC(Cl)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833044	0	32	-1.0	-47.47	304.07	2.89	-44.58
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833045	0	40	-1.0	-53.72	344.85	1.98	-51.74
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CS1	REAL300010833046	0	31	-1.0	-51.74	304.20	2.65	-49.09
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833047	0	37	-1.0	-51.85	340.16	5.48	-46.37
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010833048	0	39	-1.0	-49.89	362.31	6.34	-43.55
COC(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1C	REAL300010833049	0	37	-1.0	-51.25	321.42	4.30	-46.95
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010833050	0	30	-1.0	-47.42	306.43	4.28	-43.14
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833051	0	32	-1.0	-46.42	312.61	3.64	-42.78
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833052	0	40	-1.0	-49.87	336.09	3.59	-46.28
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)=C1	REAL300010833053	0	42	-1.0	-49.26	367.04	6.49	-42.77
CN(CCS(=O)(=O)NCCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010833054	0	42	-1.0	-55.98	383.53	1.95	-54.03
O=C([O-])CCCNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010833055	0	31	-1.0	-52.86	288.66	0.49	-52.37
CN1C(=O)CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833056	0	36	-1.0	-51.27	320.21	3.44	-47.83
O=C([O-])CCCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010833057	0	28	-1.0	-46.96	284.68	4.08	-42.88
COC(=O)C1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1	REAL300010833058	0	39	-1.0	-52.21	327.77	2.69	-49.52
COC1=C(C)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300010833059	0	38	-1.0	-48.70	330.49	3.87	-44.83
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(C(=O)OC)S1	REAL300010833060	0	37	-1.0	-52.68	352.15	4.21	-48.47
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010833061	0	28	-1.0	-51.66	288.98	3.07	-48.59
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010833062	0	41	-1.0	-52.48	379.22	5.01	-47.47
O=C([O-])CCCNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010833063	0	37	-1.0	-56.00	335.64	4.84	-51.16
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010833064	0	45	-1.0	-57.94	393.90	2.70	-55.24
O=C([O-])CCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010833065	0	34	-1.0	-51.72	323.34	3.65	-48.07
O=C([O-])CCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010833066	0	34	-1.0	-50.07	340.07	4.17	-45.90
CC1=CC(Br)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833068	0	28	-1.0	-48.01	286.90	3.19	-44.82
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010833069	0	33	-1.0	-52.04	312.81	3.54	-48.50
CC1=C(Br)SC(S(=O)(=O)NCCCC(=O)[O-])=N1	REAL300010833070	1	27	-1.0	-46.98	285.27	1.21	-45.77
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833071	0	33	-1.0	-50.28	304.35	4.58	-45.70
O=C([O-])CCCNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010833072	0	32	-1.0	-49.42	309.69	1.85	-47.57
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010833073	0	33	-1.0	-57.78	298.74	4.76	-53.02
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010833074	0	36	-1.0	-57.17	321.84	4.87	-52.30
O=C([O-])CCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010833075	0	36	-1.0	-55.14	330.39	5.16	-49.98
CC1=NN2C=C(S(=O)(=O)NCCCC(=O)[O-])C=NC2=C1Cl	REAL300010833076	0	33	-1.0	-50.86	316.36	2.83	-48.03
CCCCCCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(=O)NC1=O	REAL300010833077	0	46	-1.0	-55.89	387.90	3.59	-52.30
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCCCC(=O)[O-])C=CC1=C23	REAL300010833079	0	39	-1.0	-52.80	342.77	4.89	-47.91
N#CC1=CC=C(F)C(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833080	0	32	-1.0	-54.26	306.84	4.11	-50.15
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010833081	0	33	-1.0	-50.14	309.98	4.30	-45.84
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833082	0	34	-1.0	-50.86	307.34	4.56	-46.30
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300010833083	0	46	-1.0	-55.21	393.73	1.23	-53.98
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300010833084	0	43	-1.0	-55.46	372.23	0.44	-55.02
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833085	1	43	-1.0	-53.59	376.75	0.24	-53.35
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833086	0	42	-1.0	-51.80	378.84	1.44	-50.36
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010833087	0	42	-1.0	-54.96	362.80	4.18	-50.78
O=C([O-])CCCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010833088	0	31	-1.0	-62.53	294.15	2.83	-59.70
CC1=CC=C(Br)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833089	0	31	-1.0	-48.92	294.80	4.39	-44.53
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833090	0	39	-1.0	-52.04	357.34	0.65	-51.39
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010833091	0	27	-1.0	-49.01	274.60	2.36	-46.65
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C12	REAL300010833092	0	39	-1.0	-50.51	343.58	4.02	-46.49
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010833093	0	38	-1.0	-49.34	352.39	7.02	-42.32
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010833094	0	31	-1.0	-49.82	314.12	4.76	-45.06
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833095	0	36	-1.0	-60.69	329.05	1.11	-59.58
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010833096	0	28	-1.0	-45.42	289.12	4.44	-40.98
O=C([O-])CCCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010833097	0	27	-1.0	-45.74	270.88	1.68	-44.06
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=N1	REAL300010833098	0	33	-1.0	-50.04	307.65	1.81	-48.23
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(Cl)S1	REAL300010833099	0	31	-1.0	-53.89	315.22	-0.33	-54.22
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833100	0	47	-1.0	-55.31	411.75	3.96	-51.35
CC(C)OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833101	0	38	-1.0	-48.67	326.20	3.83	-44.84
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833102	0	42	-1.0	-56.12	392.23	0.61	-55.51
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833103	0	37	-1.0	-55.21	345.97	2.91	-52.30
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833104	0	38	-1.0	-51.35	346.61	3.53	-47.82
CC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300010833105	0	33	-1.0	-49.37	313.70	4.00	-45.37
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010833106	0	39	-1.0	-51.99	361.62	1.94	-50.05
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300010833107	0	41	-1.0	-51.50	355.25	5.61	-45.89
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833108	0	32	-1.0	-53.80	315.70	4.45	-49.35
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010833109	0	37	-1.0	-55.95	323.15	6.77	-49.18
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010833110	0	36	-1.0	-55.83	305.32	4.51	-51.32
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010833111	0	34	-1.0	-53.39	286.35	4.11	-49.28
CC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300010833112	0	41	-1.0	-56.97	349.63	4.38	-52.59
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010833113	0	34	-1.0	-48.55	325.53	1.07	-47.48
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833114	0	37	-1.0	-49.37	339.98	4.63	-44.74
CCC1=C(S(=O)(=O)NCCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010833115	0	37	-1.0	-49.80	336.15	3.31	-46.49
O=C([O-])CCCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010833116	0	45	-1.0	-57.74	374.16	4.90	-52.84
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833117	0	41	-1.0	-49.17	367.85	4.61	-44.56
N#CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(Cl)=C1	REAL300010833118	0	29	-1.0	-49.00	279.33	3.42	-45.58
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833119	0	32	-1.0	-47.66	304.42	3.48	-44.18
O=C([O-])CCCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010833120	0	48	-1.0	-53.63	376.27	4.57	-49.06
O=C([O-])CCCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010833121	0	45	-1.0	-56.69	386.95	5.29	-51.40
O=C([O-])CCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010833122	0	42	-1.0	-54.04	350.31	3.24	-50.80
O=C([O-])CCCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010833123	0	39	-1.0	-54.00	355.92	3.76	-50.24
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010833124	0	30	-1.0	-48.66	291.65	2.21	-46.45
COC(=O)C1=C(S(=O)(=O)NCCCC(=O)[O-])SC=N1	REAL300010833125	1	30	-1.0	-55.17	289.88	1.19	-53.98
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833126	0	34	-1.0	-49.74	318.11	3.70	-46.04
COC1=CC=C(OC)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839001	0	42	-1.0	-53.70	340.19	3.00	-50.70
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OC	REAL300010839002	0	42	-1.0	-52.27	348.35	3.06	-49.21
CC(C)(CCNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010839003	0	44	-1.0	-53.27	387.43	3.46	-49.81
CC(C)(CCNS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010839004	0	41	-1.0	-50.32	335.13	5.77	-44.55
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839005	0	41	-1.0	-54.18	364.79	2.05	-52.13
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010839006	0	42	-1.0	-50.37	344.09	6.25	-44.12
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010839007	0	34	-1.0	-49.74	294.29	3.69	-46.05
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839008	0	44	-1.0	-59.07	360.96	3.64	-55.43
CC(C)(CCNS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010839009	0	31	-1.0	-45.94	302.64	3.60	-42.34
CC(C)CCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839010	0	49	-1.0	-49.78	393.66	7.39	-42.39
CC(C)(CCNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010839011	0	40	-1.0	-52.40	331.25	6.23	-46.17
CC(C)(CCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010839012	0	44	-1.0	-51.17	364.39	7.29	-43.88
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010839013	0	37	-1.0	-47.62	330.60	4.91	-42.71
CC1=CC=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839014	0	37	-1.0	-49.79	310.75	4.84	-44.95
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839015	0	34	-1.0	-46.91	328.46	5.61	-41.30
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839016	0	49	-1.0	-49.60	380.05	6.66	-42.94
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839017	0	37	-1.0	-49.51	325.68	4.98	-44.53
CC(C)(CCNS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010839018	0	34	-1.0	-48.25	309.19	4.06	-44.19
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839019	0	37	-1.0	-50.89	309.88	4.31	-46.58
CC(C)(CCNS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010839020	1	34	-1.0	-47.18	314.87	4.29	-42.89
CC(C)(CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010839021	0	37	-1.0	-49.68	326.63	4.62	-45.06
CC(C)(CCNS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010839022	0	34	-1.0	-47.16	314.87	4.29	-42.87
CC(C)(CCNS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010839023	0	34	-1.0	-47.48	301.15	3.76	-43.72
CC(C)(CCNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010839024	0	35	-1.0	-54.13	301.00	2.60	-51.53
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010839025	0	37	-1.0	-49.20	316.35	4.57	-44.63
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839026	0	37	-1.0	-50.10	334.54	4.94	-45.16
CC(C)(CCNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010839027	0	39	-1.0	-55.95	321.84	5.00	-50.95
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010839028	0	37	-1.0	-49.90	321.51	5.50	-44.40
CC(C)(CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010839029	0	45	-1.0	-52.04	395.70	7.27	-44.77
CC(C)(CCNS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010839030	0	34	-1.0	-51.06	304.66	4.13	-46.93
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010839031	0	34	-1.0	-48.45	313.07	4.69	-43.76
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839032	0	40	-1.0	-50.59	338.94	4.38	-46.21
CC1=CC=C(F)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839033	0	37	-1.0	-51.00	309.30	4.28	-46.72
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839034	0	38	-1.0	-52.01	325.92	3.25	-48.76
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839035	0	37	-1.0	-49.97	316.93	4.59	-45.38
CC(C)(CCNS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010839036	1	34	-1.0	-49.02	305.12	4.21	-44.81
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010839037	0	34	-1.0	-49.21	317.22	4.54	-44.67
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300010839038	0	49	-1.0	-51.31	408.36	6.02	-45.29
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839039	0	41	-1.0	-53.20	359.80	3.38	-49.82
CN(C1CCCCC1)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839040	0	45	-1.0	-49.47	347.33	4.32	-45.15
CC(C)OC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010839041	0	50	-1.0	-51.61	398.74	7.12	-44.49
CC(C)(CCNS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010839042	0	38	-1.0	-56.75	334.24	4.96	-51.79
CC1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1Cl	REAL300010839043	0	37	-1.0	-50.53	330.94	5.69	-44.84
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010839044	0	37	-1.0	-53.75	345.30	5.54	-48.21
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010839045	0	44	-1.0	-52.06	359.57	5.58	-46.48
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(N)=O	REAL300010839046	0	41	-1.0	-52.44	340.22	1.31	-51.13
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(N)=O	REAL300010839047	0	42	-1.0	-55.81	351.44	1.25	-54.56
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839048	0	39	-1.0	-49.30	333.13	5.44	-43.86
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839049	0	41	-1.0	-58.14	343.93	2.52	-55.62
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839050	0	39	-1.0	-52.07	328.27	5.19	-46.88
CN1C=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1Cl	REAL300010839051	0	34	-1.0	-54.51	307.69	3.43	-51.08
CC1=CC(F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839052	0	37	-1.0	-49.42	318.03	4.61	-44.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839053	0	40	-1.0	-50.65	361.13	5.02	-45.63
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010839054	0	33	-1.0	-49.69	304.04	2.77	-46.92
CC(C)(CCNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010839055	0	43	-1.0	-62.12	375.23	2.08	-60.04
CC(=O)NC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010839056	0	41	-1.0	-55.36	351.36	2.87	-52.49
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C21	REAL300010839057	0	48	-1.0	-60.20	381.83	5.46	-54.74
CC(C)(CCNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010839058	0	39	-1.0	-65.44	339.18	-0.09	-65.53
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1C	REAL300010839059	0	44	-1.0	-50.20	350.02	4.67	-45.53
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010839060	0	34	-1.0	-49.02	312.48	4.68	-44.34
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010839061	0	45	-1.0	-52.25	372.94	3.35	-48.90
CC(C)(CCNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010839062	0	37	-1.0	-53.17	334.67	5.21	-47.96
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010839063	0	34	-1.0	-48.78	326.34	4.96	-43.82
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839064	0	47	-1.0	-58.03	393.91	3.66	-54.37
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839065	0	48	-1.0	-56.71	392.93	2.72	-53.99
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839066	0	42	-1.0	-51.56	349.22	6.33	-45.23
CC(C)CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839067	0	46	-1.0	-49.85	370.83	6.55	-43.30
COCCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839068	0	44	-1.0	-50.79	366.17	4.38	-46.41
COCCN(CCOC)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839069	0	46	-1.0	-48.92	362.89	1.06	-47.86
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839070	0	37	-1.0	-49.30	321.07	5.28	-44.02
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839071	0	50	-1.0	-50.07	401.55	6.20	-43.87
CC(C)(CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010839072	0	48	-1.0	-49.96	384.27	6.09	-43.87
CC(C)COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839073	0	47	-1.0	-50.06	382.55	5.59	-44.47
CCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839074	0	44	-1.0	-50.19	362.48	4.89	-45.30
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839075	0	38	-1.0	-51.13	335.73	3.74	-47.39
CC(C)(CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010839076	0	38	-1.0	-51.24	345.49	4.01	-47.23
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839077	0	41	-1.0	-50.60	339.78	3.92	-46.68
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010839078	0	47	-1.0	-50.33	378.97	5.46	-44.87
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1	REAL300010839079	0	41	-1.0	-50.10	334.40	4.08	-46.02
COCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839080	0	45	-1.0	-52.72	374.61	3.37	-49.35
CC(C)(CCNS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010839081	0	37	-1.0	-54.95	319.27	4.62	-50.33
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839082	0	45	-1.0	-58.32	380.37	3.53	-54.79
CC(C)(CCNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010839083	0	49	-1.0	-54.45	396.32	3.38	-51.07
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010839084	0	37	-1.0	-50.44	328.08	5.28	-45.16
CC(C)(CCNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010839085	0	40	-1.0	-56.57	352.58	1.44	-55.13
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839086	0	40	-1.0	-53.45	350.95	5.88	-47.57
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010839087	0	39	-1.0	-52.95	330.59	4.26	-48.69
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839088	0	38	-1.0	-50.76	327.28	4.33	-46.43
CC1=CC(C#N)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839089	0	38	-1.0	-50.34	325.67	5.17	-45.17
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010839090	0	35	-1.0	-51.02	308.64	4.02	-47.00
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010839091	0	38	-1.0	-51.09	330.89	4.61	-46.48
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1OC	REAL300010839092	0	44	-1.0	-54.74	371.71	4.56	-50.18
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839093	0	43	-1.0	-51.02	361.02	5.07	-45.95
COC(=O)CCN(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839094	0	41	-1.0	-53.30	344.53	2.75	-50.55
CC(C)(CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010839095	0	44	-1.0	-58.75	360.33	-0.57	-59.32
CN(C1CCOCC1)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839096	0	43	-1.0	-49.76	338.05	1.92	-47.84
CC(C)(CCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010839097	0	43	-1.0	-59.39	358.29	3.93	-55.46
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010839098	0	43	-1.0	-53.92	363.54	5.21	-48.71
CCN1N=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C	REAL300010839099	0	43	-1.0	-51.90	349.63	3.82	-48.08
CC(C)N1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839100	0	40	-1.0	-52.14	334.97	2.96	-49.18
CC(C)CN1C=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839101	0	43	-1.0	-54.43	354.19	4.83	-49.60
CC(C)N1C=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839102	0	40	-1.0	-55.49	335.06	4.24	-51.25
CC(C)C1=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1	REAL300010839103	0	40	-1.0	-53.88	331.98	2.47	-51.41
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839104	0	46	-1.0	-49.99	341.85	6.38	-43.61
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839105	0	42	-1.0	-59.93	356.09	3.28	-56.65
CC(C)(CCNS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010839107	0	41	-1.0	-56.55	355.16	5.16	-51.39
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1F	REAL300010839108	0	40	-1.0	-52.93	350.08	4.35	-48.58
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010839109	0	38	-1.0	-50.66	335.80	3.73	-46.93
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010839110	0	44	-1.0	-51.11	385.56	5.95	-45.16
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(Br)O1	REAL300010839111	0	37	-1.0	-47.07	338.48	2.85	-44.22
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C(Br)S1	REAL300010839112	0	34	-1.0	-48.02	319.97	4.41	-43.61
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1	REAL300010839113	0	38	-1.0	-55.93	333.61	2.22	-53.71
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010839114	0	35	-1.0	-51.41	325.84	4.67	-46.74
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C	REAL300010839115	0	42	-1.0	-56.65	340.80	6.60	-50.05
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839116	0	40	-1.0	-52.22	346.01	4.56	-47.66
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839117	0	43	-1.0	-57.83	365.65	2.30	-55.53
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010839118	0	38	-1.0	-52.29	335.23	5.83	-46.46
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010839119	0	35	-1.0	-51.16	326.43	4.68	-46.48
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839120	0	50	-1.0	-54.36	402.43	5.65	-48.71
CC(C)(CCNS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010839121	0	45	-1.0	-58.70	377.69	3.84	-54.86
CC(C)(CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010839122	0	46	-1.0	-54.67	399.23	1.72	-52.95
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839123	0	42	-1.0	-55.16	366.81	0.05	-55.11
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839124	0	44	-1.0	-57.52	385.73	2.79	-54.73
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300010839125	0	37	-1.0	-50.62	329.74	2.67	-47.95
COC(=O)C1=C(C)OC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839126	0	40	-1.0	-50.77	347.51	3.32	-47.45
CC1=NC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839127	0	36	-1.0	-49.50	315.44	2.44	-47.06
CC(C)(CCNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839128	1	36	-1.0	-57.61	312.04	5.24	-52.37
CC(C)(CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010839129	0	37	-1.0	-52.73	346.85	5.58	-47.15
CCOC(=O)C1=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(C)N1	REAL300010839130	0	47	-1.0	-53.15	385.62	4.54	-48.61
CC(C)(CCNS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010839131	0	34	-1.0	-51.82	307.05	4.70	-47.12
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S2)=CS1	REAL300010839132	0	40	-1.0	-51.27	369.07	4.43	-46.84
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010839133	0	54	-1.0	-49.94	424.77	7.50	-42.44
CC(C)(CCNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010839134	0	44	-1.0	-56.48	387.47	3.45	-53.03
CC(C)(CCNS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010839135	0	34	-1.0	-49.78	317.42	4.95	-44.83
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839136	0	43	-1.0	-53.90	359.06	5.42	-48.48
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839137	0	36	-1.0	-53.35	324.45	5.88	-47.47
COC1=CC(F)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OC	REAL300010839138	0	42	-1.0	-50.94	346.57	2.82	-48.12
COC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OC	REAL300010839139	0	45	-1.0	-51.54	363.08	3.97	-47.57
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839140	1	36	-1.0	-50.96	338.14	6.59	-44.37
CC(C)(CCNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010839141	0	37	-1.0	-53.79	329.73	4.78	-49.01
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010839142	0	35	-1.0	-51.18	299.15	3.70	-47.48
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010839143	0	35	-1.0	-50.95	308.91	4.13	-46.82
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Br	REAL300010839144	0	37	-1.0	-49.47	329.71	5.07	-44.40
CC1=C(F)C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839145	0	37	-1.0	-49.51	310.35	4.67	-44.84
COC(=O)CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839146	0	40	-1.0	-59.21	348.96	2.63	-56.58
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010839147	0	40	-1.0	-49.78	345.04	6.65	-43.13
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010839148	0	39	-1.0	-50.33	343.35	6.11	-44.22
CC1=C(Br)SC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839149	0	34	-1.0	-48.01	322.81	4.18	-43.83
CC(C)(CCNS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010839150	0	38	-1.0	-56.78	332.47	5.05	-51.73
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC(F)=C1F	REAL300010839151	0	40	-1.0	-51.26	355.83	4.62	-46.64
CC(C)(CCNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010839152	0	52	-1.0	-49.15	377.34	5.55	-43.60
CC1=NC2=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC=C2C=C1	REAL300010839153	0	42	-1.0	-56.34	351.94	5.05	-51.29
CC(C)(CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010839154	0	45	-1.0	-52.04	366.78	2.40	-49.64
CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1Br	REAL300010839155	0	37	-1.0	-50.92	324.87	5.19	-45.73
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839156	0	40	-1.0	-55.78	348.93	5.00	-50.78
CC(C)(CCNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010839157	0	42	-1.0	-52.05	348.24	1.62	-50.43
COC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010839158	0	40	-1.0	-52.33	345.73	4.62	-47.71
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839159	0	40	-1.0	-49.74	344.00	5.79	-43.95
COCCN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839160	0	41	-1.0	-52.59	349.37	1.46	-51.13
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010839161	0	47	-1.0	-51.71	381.38	6.51	-45.20
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839162	0	44	-1.0	-52.21	361.83	5.26	-46.95
CC(C)(CCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010839163	0	39	-1.0	-61.59	338.49	4.06	-57.53
CC(C)(CCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010839164	0	41	-1.0	-53.29	350.18	4.98	-48.31
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839165	0	36	-1.0	-51.42	334.61	5.00	-46.42
CC(C)(CCNS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010839166	0	35	-1.0	-55.10	298.69	3.67	-51.43
CCOCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839167	0	48	-1.0	-52.43	397.03	4.34	-48.09
CCCCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839168	0	50	-1.0	-50.11	405.48	6.46	-43.65
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839169	0	36	-1.0	-56.10	319.39	5.75	-50.35
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010839170	0	40	-1.0	-53.07	349.54	4.55	-48.52
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010839171	0	40	-1.0	-48.18	358.52	4.94	-43.24
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839172	0	44	-1.0	-56.15	365.38	4.36	-51.79
COC(=O)C1=CSC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839173	0	37	-1.0	-52.81	338.25	3.55	-49.26
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839174	0	46	-1.0	-53.43	376.54	5.95	-47.48
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C	REAL300010839175	0	43	-1.0	-51.15	361.03	5.06	-46.09
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839176	0	40	-1.0	-53.35	342.62	4.27	-49.08
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010839177	0	44	-1.0	-49.88	345.29	6.53	-43.35
CC(C)(CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010839178	0	40	-1.0	-54.23	338.58	5.69	-48.54
CC(C)(CCNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010839179	0	33	-1.0	-48.56	306.52	2.68	-45.88
CC(C)(CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010839180	0	38	-1.0	-48.93	346.57	5.34	-43.59
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010839181	0	34	-1.0	-49.27	316.63	4.54	-44.73
CC(C)(CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010839182	0	41	-1.0	-63.89	354.83	1.74	-62.15
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839183	0	37	-1.0	-48.88	323.65	5.17	-43.71
COC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010839184	0	38	-1.0	-49.47	339.55	3.83	-45.64
CC(C)(CCNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010839185	0	45	-1.0	-50.61	367.66	5.13	-45.48
CC(C)(CCNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010839186	0	42	-1.0	-55.04	368.58	0.65	-54.39
CCC(=O)NCC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1OC	REAL300010839187	0	51	-1.0	-56.11	421.12	3.04	-53.07
COC1=CC=C(Br)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839188	0	38	-1.0	-50.95	335.57	3.91	-47.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839189	0	43	-1.0	-57.35	371.79	2.29	-55.06
CC(C)(CCNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010839190	0	36	-1.0	-49.91	337.89	3.78	-46.13
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839191	0	39	-1.0	-55.61	332.28	4.31	-51.30
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010839192	0	35	-1.0	-50.07	331.74	4.86	-45.21
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Br	REAL300010839193	0	41	-1.0	-50.85	361.97	4.77	-46.08
CC(C)(CCNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010839194	0	39	-1.0	-52.49	340.88	-0.66	-53.15
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2S1	REAL300010839195	0	48	-1.0	-50.82	402.62	5.82	-45.00
COC(=O)CC1(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839196	0	43	-1.0	-52.95	354.77	4.39	-48.56
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839197	0	39	-1.0	-53.07	346.89	3.99	-49.08
CC(C)(CCNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010839198	0	39	-1.0	-50.91	325.58	3.16	-47.75
CC(C)(CCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010839199	0	42	-1.0	-58.58	353.84	5.13	-53.45
CC(C)(CCNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010839200	0	40	-1.0	-61.51	333.57	0.32	-61.19
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839201	0	44	-1.0	-54.88	370.45	4.79	-50.09
CC(C)(CCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010839202	0	39	-1.0	-56.46	338.47	4.06	-52.40
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1	REAL300010839203	0	44	-1.0	-49.91	355.67	4.99	-44.92
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839204	0	42	-1.0	-55.34	366.83	0.04	-55.30
CC(C)(CCNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010839205	0	36	-1.0	-60.92	317.68	-0.86	-61.78
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839206	0	43	-1.0	-55.64	362.09	5.46	-50.18
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010839207	0	38	-1.0	-51.64	319.71	3.97	-47.67
CSC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839208	0	38	-1.0	-50.17	330.38	4.90	-45.27
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839209	0	46	-1.0	-51.23	387.73	6.25	-44.98
CC(C)(CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839210	0	40	-1.0	-54.53	352.44	5.58	-48.95
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839211	0	45	-1.0	-51.85	359.53	5.63	-46.22
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010839212	0	33	-1.0	-48.89	303.37	2.46	-46.43
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010839213	0	40	-1.0	-52.30	319.54	3.29	-49.01
CC(C)(CCNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010839214	0	39	-1.0	-52.02	326.32	4.34	-47.68
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839215	0	37	-1.0	-49.23	325.64	5.38	-43.85
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010839216	0	42	-1.0	-53.45	350.03	3.06	-50.39
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839217	0	50	-1.0	-55.57	405.32	4.81	-50.76
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OCC	REAL300010839218	0	48	-1.0	-51.58	392.06	4.92	-46.66
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010839219	0	40	-1.0	-59.16	336.20	2.88	-56.28
CC1=NN(C)C(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839220	0	40	-1.0	-51.85	326.90	2.91	-48.94
CC(C)(CCNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010839221	0	39	-1.0	-55.98	344.44	-1.17	-57.15
CC(C)(CCNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010839222	0	45	-1.0	-56.73	368.02	5.00	-51.73
CC(=O)N1CCCC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839223	0	48	-1.0	-57.87	382.86	5.47	-52.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C	REAL300010839224	0	42	-1.0	-51.60	349.49	5.97	-45.63
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839225	0	40	-1.0	-51.69	344.95	4.54	-47.15
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839226	0	45	-1.0	-58.17	370.21	4.98	-53.19
CNC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839227	0	41	-1.0	-55.14	346.62	2.16	-52.98
CC(C)(CCNS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010839228	0	38	-1.0	-55.13	324.71	0.66	-54.47
CC(=O)N1C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2CC1C	REAL300010839229	0	48	-1.0	-57.41	384.58	5.44	-51.97
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CS1	REAL300010839230	0	37	-1.0	-54.61	328.47	4.25	-50.36
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839231	0	37	-1.0	-50.20	338.05	3.64	-46.56
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839232	0	38	-1.0	-52.58	346.86	5.06	-47.52
CCOC(=O)C1=CNN=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839233	0	40	-1.0	-59.41	341.60	2.43	-56.98
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010839234	0	40	-1.0	-57.16	346.18	0.86	-56.30
CC(C)(CCNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010839235	0	40	-1.0	-53.30	340.36	1.09	-52.21
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010839236	0	40	-1.0	-51.11	342.53	1.15	-49.96
CC1=CC2=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C2N=C1	REAL300010839237	0	42	-1.0	-55.41	343.19	5.64	-49.77
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010839238	0	40	-1.0	-55.77	336.61	4.65	-51.12
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839239	0	38	-1.0	-50.09	327.45	4.23	-45.86
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010839240	0	38	-1.0	-50.08	324.16	4.14	-45.94
CC(C)(CCNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010839241	0	39	-1.0	-57.20	344.45	-1.17	-58.37
COC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839242	0	40	-1.0	-54.91	344.43	4.52	-50.39
CC(C)(CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010839243	0	46	-1.0	-56.56	399.22	1.73	-54.83
CC(C)(CCNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010839244	0	39	-1.0	-56.58	341.59	5.24	-51.34
CC(C)(CCNS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010839245	0	37	-1.0	-53.67	319.79	4.64	-49.03
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Cl)=C1	REAL300010839246	0	37	-1.0	-49.84	313.28	4.58	-45.26
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010839247	0	40	-1.0	-55.63	345.71	0.26	-55.37
CC(C)(CCNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010839248	0	40	-1.0	-57.87	350.31	1.38	-56.49
CN1C(=O)C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2C1=O	REAL300010839249	0	41	-1.0	-52.43	355.83	3.14	-49.29
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839250	0	42	-1.0	-52.14	357.41	5.43	-46.71
CC1=CC(F)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839251	0	37	-1.0	-48.33	311.29	4.84	-43.49
CC(C)(CCNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010839252	0	43	-1.0	-50.10	342.26	5.01	-45.09
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CN=C12	REAL300010839253	0	42	-1.0	-52.03	346.45	5.17	-46.86
CN1C(=O)OC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839254	0	40	-1.0	-55.18	343.75	3.83	-51.35
CC(C)(CCNS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010839255	0	39	-1.0	-54.86	337.90	5.37	-49.49
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839256	0	42	-1.0	-55.92	346.13	6.55	-49.37
CCOC(=O)C1CCCN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300010839257	0	48	-1.0	-52.74	384.76	4.59	-48.15
CC(C)(CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010839258	0	38	-1.0	-49.71	336.20	3.67	-46.04
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839259	0	45	-1.0	-56.20	385.12	1.87	-54.33
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010839260	0	34	-1.0	-47.75	298.26	3.98	-43.77
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839261	0	36	-1.0	-53.32	323.86	5.86	-47.46
CC(C)(CCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010839262	0	46	-1.0	-58.92	375.56	3.21	-55.71
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010839263	0	44	-1.0	-52.79	359.52	7.47	-45.32
CC1CC(C)CN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300010839264	0	45	-1.0	-48.82	339.35	4.15	-44.67
CCOC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839265	0	43	-1.0	-54.63	366.86	5.46	-49.17
CCOC(=O)N1CCC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839266	0	48	-1.0	-55.29	383.84	3.76	-51.53
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010839267	0	34	-1.0	-48.93	306.33	4.39	-44.54
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010839268	0	34	-1.0	-48.84	310.90	4.49	-44.35
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010839269	0	36	-1.0	-50.57	318.43	4.55	-46.02
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010839270	0	40	-1.0	-51.39	335.57	6.15	-45.24
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839271	0	41	-1.0	-56.72	346.54	2.75	-53.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839272	0	39	-1.0	-52.31	333.16	5.45	-46.86
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839273	0	38	-1.0	-50.64	319.68	3.17	-47.47
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839274	0	36	-1.0	-57.80	307.02	5.35	-52.45
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839275	0	41	-1.0	-49.41	361.46	5.13	-44.28
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839276	0	41	-1.0	-50.36	341.55	4.10	-46.26
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010839277	0	34	-1.0	-48.86	294.28	3.68	-45.18
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010839278	0	34	-1.0	-48.14	303.02	4.01	-44.13
CC(C)(CCNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010839279	0	40	-1.0	-51.81	334.69	3.03	-48.78
CC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1	REAL300010839280	0	43	-1.0	-48.76	338.30	6.04	-42.72
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839281	0	49	-1.0	-49.43	381.15	7.10	-42.33
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010839282	0	34	-1.0	-48.91	322.13	4.86	-44.05
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010839283	0	34	-1.0	-49.98	302.91	4.00	-45.98
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010839284	0	34	-1.0	-48.24	308.02	4.43	-43.81
CC(C)(CCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839285	0	37	-1.0	-50.74	328.69	4.88	-45.86
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010839286	0	37	-1.0	-52.67	315.14	5.43	-47.24
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839287	0	37	-1.0	-49.68	341.53	5.28	-44.40
CC(C)(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010839288	0	34	-1.0	-50.03	306.95	4.39	-45.64
CC(C)(CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010839289	0	37	-1.0	-48.52	330.03	4.91	-43.61
CC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839290	0	39	-1.0	-53.77	332.37	4.36	-49.41
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010839291	0	34	-1.0	-49.30	312.22	4.44	-44.86
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839292	0	39	-1.0	-57.69	332.41	4.35	-53.34
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2)=CO1	REAL300010839293	0	43	-1.0	-54.81	366.60	2.95	-51.86
CC(C)(CCNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010839294	0	33	-1.0	-48.18	316.68	2.93	-45.25
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010839295	0	37	-1.0	-51.88	319.38	4.24	-47.64
COC1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839296	0	38	-1.0	-50.57	321.34	3.21	-47.36
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010839297	0	43	-1.0	-51.74	376.31	6.59	-45.15
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839298	0	43	-1.0	-55.23	366.57	5.31	-49.92
CC(C)(CCNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010839299	0	41	-1.0	-52.03	329.26	5.44	-46.59
CC1=CC=C(N2C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300010839300	0	44	-1.0	-52.89	372.17	5.66	-47.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C21	REAL300010839301	0	45	-1.0	-61.12	369.37	4.93	-56.19
CC(C)(CCNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010839302	0	35	-1.0	-54.14	307.59	4.02	-50.12
CC1=CC=C(C#N)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839303	0	38	-1.0	-52.12	325.11	5.15	-46.97
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010839304	0	48	-1.0	-55.97	392.42	3.43	-52.54
CC1CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010839305	0	42	-1.0	-50.78	363.98	4.99	-45.79
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010839306	0	39	-1.0	-50.31	333.84	5.03	-45.28
COC(=O)C1=COC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839307	0	37	-1.0	-53.61	330.08	2.61	-51.00
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839308	0	45	-1.0	-55.88	377.94	4.63	-51.25
CC(C)(CCNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010839309	0	36	-1.0	-51.24	322.20	3.36	-47.88
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839310	0	44	-1.0	-57.18	357.59	4.09	-53.09
COC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])SC=C1	REAL300010839311	0	35	-1.0	-54.25	308.21	2.00	-52.25
CC(=O)NC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C	REAL300010839312	0	44	-1.0	-59.12	364.52	3.65	-55.47
CN1CCCC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C21	REAL300010839313	0	46	-1.0	-51.40	364.42	4.43	-46.97
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300010839314	0	36	-1.0	-49.79	320.85	3.09	-46.70
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010839315	0	40	-1.0	-54.76	341.01	2.92	-51.84
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839316	0	43	-1.0	-49.29	363.19	5.52	-43.77
CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C#N	REAL300010839317	0	38	-1.0	-54.43	311.84	4.14	-50.29
COC1=CC(OC)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839318	0	42	-1.0	-51.99	349.18	2.48	-49.51
CN1C=NC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839319	0	40	-1.0	-57.01	337.89	5.21	-51.80
CCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1CC	REAL300010839320	0	46	-1.0	-50.11	366.69	6.42	-43.69
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839321	0	42	-1.0	-48.30	341.12	5.90	-42.40
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(C)O1	REAL300010839322	0	40	-1.0	-51.45	348.99	3.41	-48.04
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010839323	0	35	-1.0	-48.40	312.41	1.75	-46.65
COC(=O)C1=NSC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839324	0	36	-1.0	-54.66	322.02	2.72	-51.94
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC(C)=C1F	REAL300010839325	0	40	-1.0	-48.90	337.23	5.22	-43.68
CC(C)(CCNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010839326	0	42	-1.0	-59.68	349.21	2.32	-57.36
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1C	REAL300010839327	0	41	-1.0	-56.26	350.80	3.97	-52.29
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010839328	0	34	-1.0	-47.97	312.76	4.45	-43.52
CC(C)(CCNS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010839329	0	33	-1.0	-48.70	301.95	2.57	-46.13
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839330	0	45	-1.0	-52.69	372.66	5.71	-46.98
CC(C)(CCNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010839331	0	37	-1.0	-54.26	336.56	5.15	-49.11
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(N)=O	REAL300010839332	0	39	-1.0	-54.78	331.58	0.02	-54.76
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839333	0	37	-1.0	-48.06	321.63	5.28	-42.78
CCOC(=O)C1CCCN1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839334	0	45	-1.0	-54.12	365.02	4.25	-49.87
CNC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1C	REAL300010839335	0	42	-1.0	-54.85	353.51	1.52	-53.33
COC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1	REAL300010839336	0	44	-1.0	-49.46	345.76	4.65	-44.81
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010839337	0	42	-1.0	-53.11	351.07	3.09	-50.02
COC(=O)C1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839338	0	43	-1.0	-56.56	368.19	5.25	-51.31
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010839339	0	45	-1.0	-53.51	365.13	3.99	-49.52
COC(=O)C1=CC=CC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839340	0	43	-1.0	-58.19	368.78	5.25	-52.94
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300010839341	0	40	-1.0	-50.47	351.02	3.58	-46.89
CC(C)(CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010839342	0	45	-1.0	-51.61	373.83	7.98	-43.63
COC(=O)COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839343	0	44	-1.0	-55.85	376.07	4.80	-51.05
COC(=O)CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839344	0	47	-1.0	-53.59	396.44	4.94	-48.65
COC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839345	0	44	-1.0	-49.90	354.74	4.69	-45.21
CC(C)(CCNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010839346	0	38	-1.0	-58.45	327.97	4.23	-54.22
CCOC(=O)CCCS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839347	0	42	-1.0	-58.44	352.87	4.09	-54.35
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010839348	0	37	-1.0	-52.26	327.91	6.02	-46.24
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839349	0	36	-1.0	-53.08	329.02	5.97	-47.11
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839350	0	39	-1.0	-57.63	323.86	6.22	-51.41
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010839351	0	36	-1.0	-48.93	334.90	5.28	-43.65
CC(C)(CCNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010839352	0	31	-1.0	-49.63	297.77	3.27	-46.36
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010839353	0	38	-1.0	-53.19	327.44	4.23	-48.96
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010839354	0	42	-1.0	-50.71	335.56	5.05	-45.66
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010839355	0	36	-1.0	-55.57	325.67	3.23	-52.34
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010839356	0	42	-1.0	-53.41	348.26	2.82	-50.59
CC(C)(CCNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010839357	0	39	-1.0	-53.94	326.52	4.43	-49.51
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010839358	0	33	-1.0	-46.96	308.41	2.64	-44.32
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010839359	0	36	-1.0	-49.37	316.69	4.31	-45.06
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010839360	0	36	-1.0	-50.60	334.02	5.00	-45.60
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839361	0	43	-1.0	-55.86	370.51	2.35	-53.51
CCN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010839362	0	39	-1.0	-57.97	339.63	4.75	-53.22
CC(C)(CCNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839363	0	36	-1.0	-58.34	323.24	5.25	-53.09
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839364	0	36	-1.0	-49.74	324.82	4.62	-45.12
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010839365	0	41	-1.0	-52.20	360.54	4.56	-47.64
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839366	0	36	-1.0	-53.03	328.42	5.97	-47.06
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010839367	0	48	-1.0	-51.62	401.46	7.16	-44.46
CC(C)(CCNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010839368	0	49	-1.0	-58.26	368.82	6.22	-52.04
CC(C)(CCNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010839369	0	42	-1.0	-58.48	361.42	0.34	-58.14
CCC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839370	0	42	-1.0	-57.52	353.29	5.14	-52.38
CCOC(=O)N1CCN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839371	0	47	-1.0	-53.02	375.80	2.62	-50.40
COC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010839372	0	43	-1.0	-52.67	369.27	5.11	-47.56
CC(C)(CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010839373	0	44	-1.0	-53.61	375.59	5.41	-48.20
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839374	0	56	-1.0	-49.01	424.83	6.72	-42.29
CC(C)(CCNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010839375	0	42	-1.0	-57.85	366.70	0.49	-57.36
CC(C)(CCNS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010839376	0	37	-1.0	-54.12	320.37	4.66	-49.46
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010839377	0	40	-1.0	-56.66	354.72	1.41	-55.25
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(F)C=C1F	REAL300010839378	0	37	-1.0	-48.45	314.59	4.33	-44.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839379	0	41	-1.0	-51.45	349.60	4.89	-46.56
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839380	0	46	-1.0	-52.39	380.92	5.41	-46.98
CC1=CN(C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2F)N=C1	REAL300010839381	0	44	-1.0	-55.51	374.82	5.91	-49.60
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839382	0	41	-1.0	-52.22	363.15	2.80	-49.42
CCS(=O)(=O)NCCS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839383	0	41	-1.0	-60.59	353.46	-1.39	-61.98
CC1=CC(F)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839384	0	37	-1.0	-49.25	314.59	4.32	-44.93
CC1=CC(Cl)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839385	0	39	-1.0	-49.46	336.14	5.10	-44.36
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010839386	0	40	-1.0	-49.91	343.39	5.14	-44.77
CC(C)(CCNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010839387	0	31	-1.0	-45.90	306.69	3.69	-42.21
CC(C)(CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010839388	0	46	-1.0	-52.83	383.93	5.86	-46.97
CC(C)(CCNS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010839389	0	34	-1.0	-51.92	294.18	3.69	-48.23
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010839390	0	34	-1.0	-49.21	309.18	4.25	-44.96
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010839391	0	40	-1.0	-49.98	344.62	5.40	-44.58
CC(C)(CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010839392	0	40	-1.0	-51.28	362.45	4.60	-46.68
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C12	REAL300010839393	0	42	-1.0	-52.83	355.93	3.59	-49.24
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839394	0	41	-1.0	-53.89	358.27	4.47	-49.42
CC(C)(CCNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010839395	0	37	-1.0	-52.99	340.57	5.25	-47.74
CC1=NOC2=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C12	REAL300010839396	0	38	-1.0	-54.07	329.95	0.86	-53.21
CC(C)(CCNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010839397	0	43	-1.0	-51.79	371.75	6.72	-45.07
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010839398	0	36	-1.0	-55.57	325.67	3.23	-52.34
CC(C)(CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010839399	0	36	-1.0	-50.34	334.31	5.27	-45.07
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839400	0	40	-1.0	-53.65	340.05	5.43	-48.22
CC(C)(CCNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010839401	0	37	-1.0	-53.47	327.54	5.03	-48.44
CC(C)(CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010839402	0	46	-1.0	-62.97	386.80	2.38	-60.59
CC(C)(CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010839403	0	41	-1.0	-53.71	359.96	4.39	-49.32
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010839404	0	34	-1.0	-48.15	312.58	4.53	-43.62
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN=C21	REAL300010839405	0	42	-1.0	-52.39	359.88	1.29	-51.10
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010839406	0	43	-1.0	-51.99	371.41	5.48	-46.51
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010839407	0	42	-1.0	-54.62	351.47	4.51	-50.11
CC(C)(CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010839408	0	37	-1.0	-49.24	345.25	5.80	-43.44
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010839409	0	40	-1.0	-50.32	354.04	6.61	-43.71
CC(C)(CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010839410	0	37	-1.0	-49.70	332.96	5.28	-44.42
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010839411	0	40	-1.0	-51.92	336.83	6.68	-45.24
CC(C)(CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010839412	0	40	-1.0	-53.92	347.90	6.74	-47.18
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010839413	0	48	-1.0	-54.95	403.10	6.10	-48.85
CC(C)(CCNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010839414	0	40	-1.0	-55.85	355.31	1.42	-54.43
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839415	0	47	-1.0	-56.84	397.62	5.45	-51.39
CC(C)(CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010839416	0	45	-1.0	-59.56	389.63	0.94	-58.62
CC(C)(CCNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010839417	1	35	-1.0	-50.92	319.49	4.55	-46.37
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1N(C)C	REAL300010839418	0	45	-1.0	-50.10	364.81	4.53	-45.57
CN1C(Cl)=NC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839419	0	34	-1.0	-49.27	304.60	2.82	-46.45
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839420	0	39	-1.0	-50.82	345.00	5.81	-45.01
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])N=C1Cl	REAL300010839421	0	34	-1.0	-53.92	310.38	2.70	-51.22
CC(C)(CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010839422	0	37	-1.0	-59.80	317.27	4.04	-55.76
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839423	0	40	-1.0	-52.32	350.47	5.88	-46.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839424	0	46	-1.0	-51.49	363.45	4.34	-47.15
CC(C)(CCNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010839425	0	39	-1.0	-51.05	325.53	3.72	-47.33
CC(C)(CCNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010839426	0	40	-1.0	-58.82	350.32	1.39	-57.43
CCOC(=O)C1CCN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839427	0	48	-1.0	-54.04	384.80	4.63	-49.41
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839428	0	42	-1.0	-55.36	343.77	5.66	-49.70
CC(C)(CCNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010839429	0	37	-1.0	-62.81	317.81	3.06	-59.75
CCC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839430	0	44	-1.0	-56.44	366.84	3.58	-52.86
CC(C)(CCNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010839431	0	37	-1.0	-52.94	336.00	5.13	-47.81
CC(C)(CCNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839432	0	35	-1.0	-59.10	305.13	4.55	-54.55
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839433	0	43	-1.0	-57.16	358.76	5.67	-51.49
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010839434	0	34	-1.0	-48.54	297.68	3.98	-44.56
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839435	0	53	-1.0	-59.16	420.52	6.95	-52.21
CC(C)(CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010839436	0	37	-1.0	-52.32	340.28	5.48	-46.84
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839437	0	41	-1.0	-53.33	358.30	3.16	-50.17
CC1CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010839438	0	42	-1.0	-50.80	346.67	4.48	-46.32
COC1=CC(Cl)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839439	0	38	-1.0	-48.30	337.35	3.77	-44.53
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839440	0	46	-1.0	-55.25	377.54	2.86	-52.39
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CS1	REAL300010839441	0	37	-1.0	-53.81	336.90	3.53	-50.28
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839442	0	43	-1.0	-53.09	372.68	6.36	-46.73
CC(C)(CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010839443	0	45	-1.0	-51.22	395.60	7.23	-43.99
COC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C	REAL300010839444	0	43	-1.0	-52.88	354.13	5.17	-47.71
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839445	0	36	-1.0	-49.32	339.71	5.17	-44.15
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839446	0	38	-1.0	-47.76	345.72	4.52	-43.24
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839447	0	46	-1.0	-51.77	368.79	4.46	-47.31
CC(C)(CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839448	0	36	-1.0	-53.93	318.43	4.55	-49.38
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010839449	0	48	-1.0	-51.03	399.72	7.39	-43.64
COC1=CC=C(C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839450	0	41	-1.0	-52.38	331.55	4.37	-48.01
CC(C)(CCNS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010839451	0	38	-1.0	-55.69	334.81	4.99	-50.70
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010839452	0	37	-1.0	-54.23	321.36	1.36	-52.87
CN1C(=O)CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839453	0	42	-1.0	-53.16	353.50	4.34	-48.82
CC(C)(CCNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010839454	0	34	-1.0	-48.61	317.97	4.98	-43.63
COC(=O)C1CCN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839455	0	45	-1.0	-53.96	361.05	3.59	-50.37
COC1=C(C)C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839456	0	44	-1.0	-50.11	363.78	4.76	-45.35
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010839457	0	43	-1.0	-54.01	385.44	5.10	-48.91
COCC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839458	0	41	-1.0	-51.72	345.27	3.60	-48.12
CC(C)(CCNS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010839459	0	34	-1.0	-52.35	321.71	3.96	-48.39
CC(C)(CCNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010839460	0	43	-1.0	-58.29	368.93	5.73	-52.56
CC(C)(CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010839461	0	40	-1.0	-53.41	356.04	4.53	-48.88
CC(C)(CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010839462	0	40	-1.0	-50.94	372.77	5.05	-45.89
CC(C)(CCNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010839463	0	37	-1.0	-53.45	329.14	2.06	-51.39
CC1=NC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2O1	REAL300010839464	0	39	-1.0	-52.99	333.85	1.54	-51.45
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839465	0	46	-1.0	-48.45	347.19	7.03	-41.42
CC1=CC(Br)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839467	0	34	-1.0	-49.23	320.18	4.08	-45.15
CC(C)(CCNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010839468	0	39	-1.0	-52.85	345.51	4.44	-48.41
CC1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839469	0	43	-1.0	-53.75	352.38	5.80	-47.95
CC1=C(Br)SC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300010839470	1	33	-1.0	-48.43	317.98	2.10	-46.33
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839471	0	39	-1.0	-51.53	337.05	5.45	-46.08
CC(C)(CCNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010839472	0	38	-1.0	-51.20	342.40	2.74	-48.46
CC(C)(CCNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839473	0	39	-1.0	-58.83	331.44	5.64	-53.19
CC(C)(CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839474	0	42	-1.0	-58.17	354.54	5.76	-52.41
CC(C)(CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010839475	0	42	-1.0	-57.32	363.68	6.05	-51.27
CC1=NN2C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=NC2=C1Cl	REAL300010839476	0	39	-1.0	-52.40	349.65	3.73	-48.67
CCCN1C=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839477	0	40	-1.0	-54.53	336.94	4.62	-49.91
CCCCCCN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010839478	0	52	-1.0	-56.08	421.19	4.49	-51.59
CC(C)(CCNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010839480	0	37	-1.0	-54.81	324.60	4.66	-50.15
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC1=C23	REAL300010839481	0	45	-1.0	-54.37	375.47	5.78	-48.59
CC(C)(CCNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010839482	0	38	-1.0	-56.35	340.13	5.01	-51.34
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010839483	0	39	-1.0	-52.50	342.68	5.17	-47.33
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839484	0	40	-1.0	-52.47	340.15	5.42	-47.05
CC(C)(CCNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010839485	0	48	-1.0	-56.08	396.09	5.08	-51.00
CC(C)(CCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010839486	0	37	-1.0	-63.42	326.85	3.72	-59.70
CC1=CC=C(Br)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839487	0	37	-1.0	-50.38	327.51	5.27	-45.11
CC1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839488	0	37	-1.0	-49.93	312.69	4.57	-45.36
CC(C)(CCNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010839489	0	37	-1.0	-53.43	325.10	4.68	-48.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839490	0	45	-1.0	-53.98	390.63	1.54	-52.44
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010839491	0	33	-1.0	-49.94	307.85	3.25	-46.69
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010839492	0	45	-1.0	-52.04	376.28	4.90	-47.14
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010839493	0	37	-1.0	-51.36	347.41	5.66	-45.70
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010839494	0	42	-1.0	-63.29	373.42	2.14	-61.15
CC(C)(CCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839495	0	33	-1.0	-46.46	304.17	2.56	-43.90
CCN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])N=C1C	REAL300010839496	0	40	-1.0	-56.55	335.16	3.65	-52.90
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839497	0	39	-1.0	-51.54	340.36	2.69	-48.85
CC(C)(CCNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010839498	0	37	-1.0	-54.70	348.43	0.57	-54.13
CC(C)(CCNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010839499	0	42	-1.0	-50.92	343.90	4.51	-46.41
CC(C)OC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839500	0	44	-1.0	-50.29	358.87	4.71	-45.58
CC1=C(C)SC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839501	0	37	-1.0	-49.81	323.85	4.29	-45.52
COCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839502	0	41	-1.0	-51.14	344.69	3.60	-47.54
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010839503	0	43	-1.0	-56.38	379.31	3.81	-52.57
CC(C)(CCNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010839504	0	45	-1.0	-48.99	365.83	10.58	-38.41
CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1Cl	REAL300010839505	0	37	-1.0	-50.41	310.60	4.51	-45.90
CC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010839506	0	39	-1.0	-51.55	348.69	4.98	-46.57
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010839507	0	45	-1.0	-54.02	394.32	2.81	-51.21
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300010839508	0	47	-1.0	-52.93	388.53	6.51	-46.42
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010839509	0	38	-1.0	-56.27	348.97	5.33	-50.94
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010839510	0	43	-1.0	-57.36	356.42	7.63	-49.73
CC(C)(CCNS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010839511	0	43	-1.0	-49.41	335.80	2.06	-47.35
CC(C)(CCNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010839512	0	37	-1.0	-51.72	316.25	2.54	-49.18
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010839513	0	42	-1.0	-57.65	338.61	5.39	-52.26
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010839514	0	40	-1.0	-52.72	339.77	5.84	-46.88
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010839515	0	47	-1.0	-57.95	384.40	5.26	-52.69
CC(C)(CCNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010839516	0	46	-1.0	-54.04	363.30	0.84	-53.20
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010839517	0	40	-1.0	-50.37	358.81	1.97	-48.40
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839518	0	43	-1.0	-51.18	372.68	5.52	-45.66
COCC1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839519	0	41	-1.0	-49.66	336.74	4.00	-45.66
CCC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010839520	0	43	-1.0	-50.67	369.41	4.19	-46.48
CC(C)(CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010839521	0	51	-1.0	-59.09	407.45	5.79	-53.30
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839522	0	47	-1.0	-50.29	401.36	5.48	-44.81
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010839523	0	35	-1.0	-49.81	312.63	4.30	-45.51
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839524	0	38	-1.0	-49.65	337.74	4.39	-45.26
CC(C)(CCNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010839525	0	41	-1.0	-55.43	335.40	3.89	-51.54
CC(C)(CCNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010839526	0	39	-1.0	-58.67	337.31	3.94	-54.73
CC(C)(CCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010839527	0	54	-1.0	-54.64	409.55	5.47	-49.17
CC(C)(CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010839528	0	48	-1.0	-55.79	383.59	4.13	-51.66
CC(C)(CCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010839529	0	45	-1.0	-55.78	389.20	4.66	-51.12
CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1F	REAL300010839530	0	37	-1.0	-51.43	308.79	4.29	-47.14
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839531	0	40	-1.0	-50.16	339.24	1.50	-48.66
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010839532	0	36	-1.0	-50.00	324.94	3.10	-46.90
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])SC=N1	REAL300010839533	1	36	-1.0	-56.63	322.58	2.08	-54.55
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839534	0	40	-1.0	-50.81	351.39	4.60	-46.21
CC[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842001	0	37	-1.0	-64.33	333.70	4.36	-59.97
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])O1	REAL300010842002	0	34	-1.0	-53.58	317.89	2.79	-50.79
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010842003	0	39	-1.0	-54.49	339.50	7.13	-47.36
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010842004	0	38	-1.0	-56.69	341.37	3.91	-52.78
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010842005	0	41	-1.0	-57.12	362.33	4.06	-53.06
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010842006	0	38	-1.0	-55.16	316.98	3.86	-51.30
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842007	0	31	-1.0	-56.49	289.18	4.99	-51.50
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842008	0	30	-1.0	-52.41	291.18	5.13	-47.28
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842009	0	33	-1.0	-58.56	289.15	5.26	-53.30
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010842010	0	30	-1.0	-47.13	297.84	4.33	-42.80
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010842011	0	25	-1.0	-54.34	255.80	1.99	-52.35
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010842012	0	36	-1.0	-55.14	300.83	4.19	-50.95
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010842013	0	36	-1.0	-54.19	321.20	2.26	-51.93
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010842014	0	27	-1.0	-40.60	285.90	2.39	-38.21
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010842015	0	30	-1.0	-46.92	299.88	4.12	-42.80
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842016	0	37	-1.0	-60.83	334.27	1.60	-59.23
CC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842017	0	33	-1.0	-53.95	304.00	3.84	-50.11
CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842018	0	30	-1.0	-56.40	283.55	4.07	-52.33
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842019	0	30	-1.0	-51.60	290.14	3.74	-47.86
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010842020	0	35	-1.0	-53.34	326.20	3.70	-49.64
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842021	0	30	-1.0	-55.50	291.10	5.12	-50.38
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010842022	0	42	-1.0	-53.56	366.51	6.30	-47.26
CC[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010842023	0	43	-1.0	-63.82	332.25	5.42	-58.40
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010842024	0	36	-1.0	-58.96	338.35	-0.29	-59.25
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC)C(=O)[O-])CC1	REAL300010842025	0	41	-1.0	-52.64	332.00	1.48	-51.16
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010842026	0	37	-1.0	-55.53	335.76	4.30	-51.23
CC[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010842027	0	38	-1.0	-56.92	342.31	4.57	-52.35
CC[C@@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010842028	0	50	-1.0	-53.62	385.09	5.67	-47.95
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010842029	0	34	-1.0	-58.29	324.05	4.32	-53.97
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010842030	0	36	-1.0	-60.93	329.08	-0.29	-61.22
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010842031	0	35	-1.0	-57.44	323.18	4.05	-53.39
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010842032	0	40	-1.0	-54.43	345.89	4.54	-49.89
CC[C@@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010842033	0	38	-1.0	-52.38	338.85	4.87	-47.51
CC[C@@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010842034	0	35	-1.0	-56.93	321.30	1.51	-55.42
CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010842035	0	35	-1.0	-60.58	319.22	-2.27	-62.85
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010842036	0	33	-1.0	-54.90	310.36	4.70	-50.20
CC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010842037	0	34	-1.0	-52.38	309.89	4.13	-48.25
CC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010842038	0	25	-1.0	-49.23	281.46	3.21	-46.02
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010842039	0	40	-1.0	-56.14	350.19	5.04	-51.10
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010842040	0	28	-1.0	-52.83	282.47	3.72	-49.11
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842041	0	34	-1.0	-50.63	309.71	4.53	-46.10
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010842042	0	34	-1.0	-58.18	329.55	3.76	-54.42
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010842043	0	36	-1.0	-53.05	321.61	2.71	-50.34
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010842044	0	31	-1.0	-58.15	305.50	4.37	-53.78
CC[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010842045	0	37	-1.0	-55.83	336.79	5.86	-49.97
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010842046	0	30	-1.0	-55.01	297.84	4.33	-50.68
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842047	0	34	-1.0	-58.96	302.07	4.46	-54.50
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN=C2S1	REAL300010842048	0	42	-1.0	-50.71	379.72	4.60	-46.11
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010842049	0	28	-1.0	-52.15	288.07	4.16	-47.99
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010842050	0	36	-1.0	-57.68	333.72	2.88	-54.80
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010842051	0	36	-1.0	-49.36	324.97	0.40	-48.96
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842052	0	37	-1.0	-58.19	346.18	5.24	-52.95
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1Br)C(=O)[O-]	REAL300010842053	0	34	-1.0	-50.04	328.85	4.33	-45.71
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1F	REAL300010842054	0	37	-1.0	-53.77	336.66	4.60	-49.17
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010842055	0	36	-1.0	-56.25	314.34	3.67	-52.58
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010842056	0	31	-1.0	-52.55	311.70	4.96	-47.59
CC[C@@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010842057	0	34	-1.0	-57.33	323.86	5.92	-51.41
CC[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010842058	0	31	-1.0	-52.34	308.12	4.85	-47.49
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010842059	0	34	-1.0	-59.05	301.72	5.81	-53.24
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010842060	0	34	-1.0	-57.44	311.33	5.76	-51.68
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Br)C(=O)[O-]	REAL300010842061	0	32	-1.0	-51.80	314.88	3.52	-48.28
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2O1	REAL300010842062	0	42	-1.0	-55.17	368.77	5.26	-49.91
CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010842063	0	34	-1.0	-57.39	320.58	0.53	-56.86
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010842064	0	41	-1.0	-60.05	362.89	4.56	-55.49
CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010842065	0	39	-1.0	-60.47	355.37	0.05	-60.42
CC[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010842066	1	29	-1.0	-53.92	283.12	3.64	-50.28
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010842067	0	39	-1.0	-52.96	330.40	3.65	-49.31
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010842068	0	33	-1.0	-55.24	307.25	4.69	-50.55
CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010842069	0	31	-1.0	-56.71	296.56	3.60	-53.11
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842070	0	34	-1.0	-55.21	312.65	4.93	-50.28
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842071	0	40	-1.0	-51.88	332.75	3.49	-48.39
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010842072	0	34	-1.0	-63.13	315.97	0.53	-62.60
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010842073	0	44	-1.0	-58.81	374.92	0.67	-58.14
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010842074	0	36	-1.0	-52.39	317.60	4.35	-48.04
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010842075	0	43	-1.0	-61.66	377.23	2.15	-59.51
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010842076	0	38	-1.0	-57.88	331.93	2.72	-55.16
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842077	0	37	-1.0	-60.23	323.69	4.81	-55.42
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842078	0	47	-1.0	-64.72	380.22	6.45	-58.27
CC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010842079	0	31	-1.0	-56.63	306.17	4.60	-52.03
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010842080	0	35	-1.0	-50.67	328.65	2.59	-48.08
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010842081	0	32	-1.0	-40.49	311.63	3.41	-37.08
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010842082	0	40	-1.0	-59.91	340.49	1.89	-58.02
CC[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842083	0	31	-1.0	-59.15	303.08	2.67	-56.48
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842084	0	37	-1.0	-58.77	334.58	5.40	-53.37
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010842085	0	39	-1.0	-53.09	360.91	6.35	-46.74
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010842086	0	37	-1.0	-54.24	315.93	4.20	-50.04
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842087	0	30	-1.0	-51.00	304.80	4.31	-46.69
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010842088	0	32	-1.0	-48.94	310.74	3.74	-45.20
CC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010842089	0	40	-1.0	-54.93	332.45	3.52	-51.41
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010842090	0	42	-1.0	-52.44	365.61	6.52	-45.92
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010842091	0	31	-1.0	-52.16	286.99	0.51	-51.65
CC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010842092	0	28	-1.0	-50.47	283.31	4.10	-46.37
CC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010842093	0	39	-1.0	-54.34	316.99	2.43	-51.91
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010842094	0	38	-1.0	-52.86	329.08	3.87	-48.99
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010842095	0	28	-1.0	-55.59	285.86	3.04	-52.55
CC[C@@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010842096	0	41	-1.0	-62.34	376.61	5.17	-57.17
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(NC(=O)C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300010842097	0	45	-1.0	-68.48	392.20	2.73	-65.75
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010842098	0	34	-1.0	-53.18	321.91	3.70	-49.48
CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010842099	0	34	-1.0	-57.47	339.64	4.24	-53.23
CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010842100	0	28	-1.0	-54.07	277.45	2.81	-51.26
CC[C@@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010842101	1	27	-1.0	-48.16	284.38	1.24	-46.92
CC[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010842102	0	32	-1.0	-52.77	308.22	1.85	-50.92
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842103	0	33	-1.0	-66.53	299.56	4.89	-61.64
CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842104	0	36	-1.0	-67.25	320.17	4.87	-62.38
CC[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010842105	0	36	-1.0	-58.06	328.60	5.17	-52.89
CC[C@@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010842106	0	33	-1.0	-49.32	312.71	2.81	-46.51
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010842107	0	46	-1.0	-52.29	392.51	3.83	-48.46
CC[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010842109	0	39	-1.0	-55.19	340.12	4.89	-50.30
CC[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010842110	0	32	-1.0	-59.85	305.30	4.11	-55.74
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842111	0	33	-1.0	-47.38	308.57	4.31	-43.07
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010842112	0	34	-1.0	-55.18	302.32	4.49	-50.69
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(OC)=C1	REAL300010842113	0	46	-1.0	-63.53	403.79	1.23	-62.30
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010842114	0	43	-1.0	-63.68	382.29	0.42	-63.26
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010842115	1	43	-1.0	-66.23	373.35	0.10	-66.13
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1F	REAL300010842116	0	42	-1.0	-54.76	377.15	1.46	-53.30
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010842117	0	42	-1.0	-53.50	361.39	4.20	-49.30
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010842118	0	31	-1.0	-71.97	294.02	2.90	-69.07
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010842119	0	31	-1.0	-53.82	290.81	4.33	-49.49
CC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010842120	0	39	-1.0	-55.03	355.65	0.68	-54.35
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010842121	0	27	-1.0	-54.23	271.05	2.32	-51.91
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010842122	0	39	-1.0	-52.65	340.62	3.95	-48.70
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010842123	0	38	-1.0	-53.87	350.98	7.03	-46.84
CC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842124	0	31	-1.0	-55.24	312.32	4.79	-50.45
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010842125	0	36	-1.0	-70.52	339.06	1.38	-69.14
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010842126	0	28	-1.0	-49.36	285.43	4.43	-44.93
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842127	0	27	-1.0	-38.65	281.73	2.26	-36.39
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010842128	0	33	-1.0	-50.00	306.28	1.82	-48.18
CC[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010842129	0	31	-1.0	-49.41	322.00	0.16	-49.25
CC[C@@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010842130	0	47	-1.0	-61.91	410.84	4.02	-57.89
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010842131	0	38	-1.0	-52.52	324.54	3.86	-48.66
CC[C@@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010842132	0	42	-1.0	-60.61	391.31	0.67	-59.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010842133	0	37	-1.0	-63.83	342.86	2.86	-60.97
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(NC(C)=O)C=C1C)C(=O)[O-]	REAL300010842134	0	38	-1.0	-55.98	342.41	3.49	-52.49
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010842135	0	33	-1.0	-49.76	312.25	4.01	-45.75
CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010842136	0	39	-1.0	-53.96	360.97	1.97	-51.99
CC[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010842137	0	41	-1.0	-54.64	353.60	5.64	-49.00
CC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010842138	0	32	-1.0	-62.70	314.00	4.47	-58.23
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010842139	0	36	-1.0	-66.91	307.37	4.91	-62.00
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010842140	0	34	-1.0	-60.36	299.78	4.49	-55.87
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010842141	0	41	-1.0	-65.66	346.83	4.29	-61.37
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010842142	0	34	-1.0	-50.72	324.18	1.06	-49.66
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842143	0	37	-1.0	-51.16	338.33	4.66	-46.50
CCC1=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010842144	0	37	-1.0	-55.21	332.43	3.26	-51.95
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842145	0	41	-1.0	-53.94	365.98	4.69	-49.25
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010842146	0	29	-1.0	-50.39	287.45	3.92	-46.47
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010842147	0	32	-1.0	-40.95	309.29	3.55	-37.40
CC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010842148	0	48	-1.0	-45.92	371.94	4.68	-41.24
CC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010842149	0	45	-1.0	-56.20	383.11	5.29	-50.91
CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010842150	0	42	-1.0	-55.76	346.80	3.07	-52.69
CC[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010842151	0	39	-1.0	-60.75	353.78	3.85	-56.90
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010842152	0	30	-1.0	-50.62	290.02	2.22	-48.40
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010842153	1	30	-1.0	-53.60	296.25	0.80	-52.80
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842154	0	34	-1.0	-51.85	316.71	3.71	-48.14
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010844001	0	36	-1.0	-62.39	312.01	2.15	-60.24
CC(=O)NCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844002	0	42	-1.0	-50.87	348.46	3.61	-47.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010844003	0	34	-1.0	-55.80	311.20	6.15	-49.65
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010844004	0	32	-1.0	-45.75	281.26	5.68	-40.07
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010844005	0	29	-1.0	-58.01	285.24	4.96	-53.05
CCCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844006	0	41	-1.0	-48.27	330.95	6.81	-41.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010844007	0	32	-1.0	-58.18	304.27	6.09	-52.09
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Br	REAL300010844008	0	36	-1.0	-45.49	319.73	4.65	-40.84
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844009	0	43	-1.0	-66.32	356.12	4.06	-62.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010844010	0	32	-1.0	-61.73	290.53	5.40	-56.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010844011	0	32	-1.0	-44.12	303.43	5.72	-38.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010844012	0	32	-1.0	-63.70	282.96	5.46	-58.24
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010844013	0	44	-1.0	-63.63	385.85	6.63	-57.00
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844014	0	44	-1.0	-74.12	377.30	7.56	-66.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010844015	0	32	-1.0	-50.82	271.42	4.81	-46.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010844016	0	31	-1.0	-57.35	288.13	3.97	-53.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010844017	0	32	-1.0	-60.80	294.66	5.80	-55.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010844018	0	35	-1.0	-45.34	305.16	6.25	-39.09
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010844019	0	35	-1.0	-44.92	305.95	5.79	-39.13
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1NC(C)=O	REAL300010844020	0	43	-1.0	-63.81	353.89	3.02	-60.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010844021	0	36	-1.0	-42.67	312.53	4.39	-38.28
CC1=C(C)C(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010844022	0	47	-1.0	-62.21	346.46	8.22	-53.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010844023	0	41	-1.0	-50.78	329.27	4.54	-46.24
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844024	0	37	-1.0	-41.30	313.33	5.90	-35.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)S1	REAL300010844025	0	29	-1.0	-57.94	289.87	5.07	-52.87
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1Cl	REAL300010844026	0	38	-1.0	-58.02	331.82	7.67	-50.35
COC1=CC=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844027	0	36	-1.0	-62.60	321.36	5.77	-56.83
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844028	0	50	-1.0	-58.21	373.78	9.38	-48.83
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010844029	0	48	-1.0	-50.05	371.72	8.50	-41.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010844030	0	35	-1.0	-43.45	305.30	5.60	-37.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010844031	0	42	-1.0	-52.83	332.62	7.19	-45.64
COC1=CC=C(OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844032	0	40	-1.0	-66.22	329.53	4.43	-61.79
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OC	REAL300010844033	0	40	-1.0	-50.45	325.17	3.81	-46.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010844034	0	42	-1.0	-50.31	363.77	4.18	-46.13
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010844035	0	39	-1.0	-61.49	321.79	7.24	-54.25
CC(=O)NCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844036	0	39	-1.0	-63.46	349.08	3.85	-59.61
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010844037	0	40	-1.0	-61.96	329.78	7.92	-54.04
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010844038	0	32	-1.0	-61.64	284.33	5.35	-56.29
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844039	0	42	-1.0	-74.84	340.70	4.52	-70.32
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010844040	0	29	-1.0	-55.01	292.41	5.27	-49.74
CC(C)CCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844041	0	47	-1.0	-48.05	370.02	8.10	-39.95
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010844042	0	38	-1.0	-67.33	311.18	7.16	-60.17
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010844043	0	42	-1.0	-50.35	340.72	8.01	-42.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010844044	0	35	-1.0	-57.47	321.72	6.47	-51.00
CC1=CC=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844045	0	35	-1.0	-59.45	290.32	5.68	-53.77
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010844046	0	32	-1.0	-54.70	313.38	7.38	-47.32
CCC(C)(C)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844047	0	47	-1.0	-48.55	356.99	7.38	-41.17
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844048	0	35	-1.0	-45.78	305.29	5.81	-39.97
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010844049	0	32	-1.0	-52.46	295.33	5.50	-46.96
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844050	0	35	-1.0	-65.62	299.34	5.96	-59.66
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010844051	0	32	-1.0	-56.44	304.89	5.95	-50.49
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010844052	0	35	-1.0	-60.87	316.94	6.29	-54.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010844053	0	32	-1.0	-56.67	305.84	5.82	-50.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010844054	0	32	-1.0	-56.66	291.54	5.28	-51.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010844055	0	33	-1.0	-69.25	291.28	3.94	-65.31
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010844056	0	35	-1.0	-44.66	293.17	5.30	-39.36
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010844057	0	35	-1.0	-45.90	310.78	5.66	-40.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010844058	0	37	-1.0	-73.26	312.88	6.06	-67.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010844059	0	35	-1.0	-44.96	294.83	5.81	-39.15
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010844060	0	43	-1.0	-51.61	372.74	8.04	-43.57
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010844061	0	32	-1.0	-65.01	295.03	5.66	-59.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010844062	0	32	-1.0	-57.38	291.96	5.63	-51.75
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844063	0	38	-1.0	-58.39	328.28	5.81	-52.58
CC1=CC=C(F)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844064	0	35	-1.0	-65.75	299.29	5.95	-59.80
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844065	0	36	-1.0	-45.18	305.53	4.07	-41.11
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844066	0	35	-1.0	-45.27	296.54	5.41	-39.86
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010844067	0	32	-1.0	-59.02	289.36	6.00	-53.02
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010844068	0	32	-1.0	-48.08	296.85	5.36	-42.72
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300010844069	0	47	-1.0	-50.30	389.78	6.91	-43.39
CC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844070	0	39	-1.0	-51.76	340.00	4.21	-47.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)C1CCCCC1	REAL300010844071	0	43	-1.0	-60.96	331.39	6.08	-54.88
CC(C)OC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010844072	0	48	-1.0	-64.26	379.41	8.10	-56.16
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010844073	0	36	-1.0	-51.77	315.30	5.90	-45.87
CC1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1Cl	REAL300010844074	0	35	-1.0	-47.77	301.86	6.34	-41.43
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010844075	0	35	-1.0	-63.57	330.91	7.18	-56.39
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010844076	0	42	-1.0	-64.90	339.48	6.54	-58.36
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010844077	0	39	-1.0	-47.29	317.03	2.05	-45.24
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010844078	0	40	-1.0	-48.11	328.25	1.98	-46.13
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844079	0	37	-1.0	-46.72	306.73	5.94	-40.78
CC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844080	0	39	-1.0	-68.67	334.24	4.18	-64.49
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844081	0	37	-1.0	-61.20	306.57	6.11	-55.09
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300010844082	0	32	-1.0	-63.36	291.98	5.22	-58.14
CC1=CC(F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844083	0	35	-1.0	-57.58	304.09	6.06	-51.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844084	0	38	-1.0	-57.77	347.79	6.50	-51.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010844085	0	31	-1.0	-61.54	291.63	4.39	-57.15
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010844086	0	41	-1.0	-60.25	351.59	2.80	-57.45
CC(=O)NC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010844087	0	39	-1.0	-58.61	330.71	3.71	-54.90
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C21	REAL300010844088	0	46	-1.0	-60.31	359.44	6.24	-54.07
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCS(C)(=O)=O	REAL300010844089	0	37	-1.0	-55.27	319.62	0.83	-54.44
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010844090	0	42	-1.0	-60.49	327.28	5.94	-54.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010844091	0	32	-1.0	-58.38	291.97	5.63	-52.75
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010844092	0	43	-1.0	-60.67	359.56	4.84	-55.83
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010844093	0	35	-1.0	-46.43	315.69	6.13	-40.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010844094	0	32	-1.0	-46.64	305.97	5.76	-40.88
CC(=O)NCCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844095	0	45	-1.0	-70.08	379.67	5.13	-64.95
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844096	0	46	-1.0	-68.72	382.23	4.15	-64.57
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844097	0	40	-1.0	-51.39	321.67	6.80	-44.59
CC(C)CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844098	0	44	-1.0	-48.30	347.72	7.28	-41.02
COCCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844099	0	42	-1.0	-48.11	343.12	5.11	-43.00
COCCN(CCOC)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844100	0	44	-1.0	-58.33	350.65	2.92	-55.41
CC1=CC=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844101	0	35	-1.0	-59.22	300.66	6.13	-53.09
CC(C)CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844102	0	48	-1.0	-48.19	378.46	6.92	-41.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010844103	0	46	-1.0	-47.86	360.58	6.79	-41.07
CC(C)COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844104	0	45	-1.0	-48.51	359.50	6.32	-42.19
CCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844105	0	42	-1.0	-48.45	339.39	5.62	-42.83
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844106	0	36	-1.0	-45.41	315.35	4.54	-40.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010844107	0	36	-1.0	-49.89	325.09	4.82	-45.07
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844108	0	39	-1.0	-51.18	319.44	4.74	-46.44
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300010844109	0	45	-1.0	-51.27	359.22	6.30	-44.97
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010844110	0	39	-1.0	-60.60	313.51	4.93	-55.67
COCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844111	0	43	-1.0	-51.25	351.52	4.09	-47.16
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC=C1F	REAL300010844112	0	35	-1.0	-50.45	299.74	5.55	-44.90
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844113	0	43	-1.0	-66.08	360.62	4.37	-61.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010844114	0	47	-1.0	-48.95	375.92	4.22	-44.73
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010844115	0	35	-1.0	-62.14	306.99	6.23	-55.91
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010844116	0	38	-1.0	-70.35	343.56	3.00	-67.35
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844117	0	38	-1.0	-72.71	339.32	7.41	-65.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010844118	0	37	-1.0	-60.62	317.23	5.72	-54.90
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844119	0	36	-1.0	-64.23	313.92	5.79	-58.44
CC1=CC(C#N)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844120	0	36	-1.0	-58.37	304.91	6.02	-52.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010844121	0	33	-1.0	-61.84	298.62	5.66	-56.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010844122	0	36	-1.0	-64.96	324.74	6.33	-58.63
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010844123	0	42	-1.0	-53.12	348.52	5.31	-47.81
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844124	0	41	-1.0	-48.18	337.23	5.79	-42.39
COC(=O)CCN(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844125	0	39	-1.0	-52.81	319.34	3.56	-49.25
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010844126	0	42	-1.0	-64.27	347.83	1.33	-62.94
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)C1CCOCC1	REAL300010844127	0	41	-1.0	-59.79	322.93	3.59	-56.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010844128	0	41	-1.0	-62.89	335.21	4.66	-58.23
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010844129	0	41	-1.0	-62.06	341.24	6.86	-55.20
CCN1N=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C	REAL300010844130	0	41	-1.0	-62.13	332.67	5.15	-56.98
CC(C)N1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844131	0	38	-1.0	-58.25	321.02	4.43	-53.82
CC(C)CN1C=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844132	0	41	-1.0	-67.15	340.97	6.59	-60.56
CC(C)N1C=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844133	0	38	-1.0	-66.07	321.87	5.72	-60.35
CC(C)C1=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1	REAL300010844134	0	38	-1.0	-61.61	318.27	4.13	-57.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010844135	0	44	-1.0	-63.86	330.28	8.48	-55.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010844136	0	45	-1.0	-68.30	374.34	7.80	-60.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010844137	0	40	-1.0	-75.20	340.91	5.07	-70.13
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1Cl	REAL300010844138	0	39	-1.0	-63.98	352.55	5.44	-58.54
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010844139	0	39	-1.0	-60.20	336.12	5.91	-54.29
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1F	REAL300010844140	0	38	-1.0	-64.37	340.19	6.00	-58.37
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010844141	0	36	-1.0	-62.11	326.87	5.28	-56.83
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010844142	0	42	-1.0	-63.36	364.85	7.44	-55.92
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(Br)O1	REAL300010844143	0	35	-1.0	-52.96	329.26	4.51	-48.45
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C(Br)S1	REAL300010844144	0	32	-1.0	-55.49	298.44	5.90	-49.59
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1	REAL300010844145	0	36	-1.0	-66.93	317.86	4.03	-62.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010844146	0	33	-1.0	-40.57	305.98	5.51	-35.06
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C	REAL300010844147	0	40	-1.0	-50.34	312.51	6.94	-43.40
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844148	0	38	-1.0	-63.22	337.68	6.13	-57.09
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844149	0	41	-1.0	-70.26	344.64	3.13	-67.13
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010844150	0	36	-1.0	-44.30	309.14	6.14	-38.16
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010844151	0	33	-1.0	-46.45	302.68	5.41	-41.04
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844152	0	48	-1.0	-54.60	379.21	6.35	-48.25
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010844153	0	43	-1.0	-51.15	357.92	4.68	-46.47
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010844154	0	44	-1.0	-51.73	375.57	2.44	-49.29
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844155	0	40	-1.0	-52.25	343.17	0.76	-51.49
CC(=O)NCCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844156	0	42	-1.0	-70.43	372.45	4.27	-66.16
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])O1	REAL300010844157	0	35	-1.0	-60.61	315.81	4.13	-56.48
COC(=O)C1=C(C)OC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844158	0	38	-1.0	-49.48	332.18	4.34	-45.14
CC1=NC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844159	0	34	-1.0	-61.30	304.08	3.80	-57.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010844160	0	34	-1.0	-52.43	284.44	5.83	-46.60
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010844161	0	35	-1.0	-61.70	332.56	7.23	-54.47
CCOC(=O)C1=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(C)N1	REAL300010844162	0	45	-1.0	-45.49	357.44	4.99	-40.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010844163	0	32	-1.0	-64.92	291.76	6.50	-58.42
CC1=NC(C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])S2)=CS1	REAL300010844164	0	38	-1.0	-60.82	355.71	5.90	-54.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010844165	0	52	-1.0	-48.61	401.12	8.21	-40.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010844166	0	42	-1.0	-60.75	367.08	4.28	-56.47
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010844167	0	32	-1.0	-48.42	297.63	5.78	-42.64
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844168	0	41	-1.0	-64.26	338.66	6.26	-58.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010844169	0	34	-1.0	-73.52	310.41	7.59	-65.93
COC1=CC(F)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OC	REAL300010844170	0	40	-1.0	-62.77	336.64	4.48	-58.29
COC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OC	REAL300010844171	0	43	-1.0	-61.00	342.52	4.81	-56.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010844172	0	34	-1.0	-56.37	319.15	8.03	-48.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010844173	0	35	-1.0	-65.48	315.78	6.23	-59.25
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010844174	0	33	-1.0	-65.93	292.09	5.39	-60.54
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010844175	0	33	-1.0	-65.80	302.41	5.84	-59.96
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Br	REAL300010844176	0	35	-1.0	-45.94	309.32	5.89	-40.05
CC1=C(F)C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844177	0	35	-1.0	-46.89	283.72	5.31	-41.58
COC(=O)CN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844178	0	38	-1.0	-62.31	335.62	4.11	-58.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010844179	0	38	-1.0	-60.61	325.53	7.61	-53.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010844180	0	37	-1.0	-42.42	316.67	6.40	-36.02
CC1=C(Br)SC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844181	0	32	-1.0	-44.19	303.66	5.08	-39.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010844182	0	36	-1.0	-51.32	308.80	5.77	-45.55
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300010844183	0	38	-1.0	-54.01	340.08	6.40	-47.61
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010844184	0	50	-1.0	-48.18	354.22	6.35	-41.83
CC1=NC2=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300010844185	0	40	-1.0	-73.76	331.83	7.08	-66.68
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010844186	0	43	-1.0	-59.16	353.41	3.88	-55.28
CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1Br	REAL300010844187	0	35	-1.0	-63.08	303.81	6.12	-56.96
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844188	0	38	-1.0	-52.41	319.87	5.38	-47.03
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010844189	0	40	-1.0	-58.07	335.13	3.12	-54.95
COC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010844190	0	38	-1.0	-45.51	325.41	5.45	-40.06
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844191	0	38	-1.0	-59.04	322.62	6.62	-52.42
COCCN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844192	0	39	-1.0	-57.81	336.02	2.95	-54.86
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010844193	0	45	-1.0	-64.40	361.34	7.47	-56.93
CCOC1=CC=C(C)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844194	0	42	-1.0	-66.77	342.92	6.71	-60.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010844195	0	37	-1.0	-67.10	322.76	5.83	-61.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010844196	0	39	-1.0	-54.93	331.72	5.75	-49.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010844197	0	34	-1.0	-51.48	310.86	5.73	-45.75
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010844198	0	33	-1.0	-72.70	293.37	5.28	-67.42
CCOCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844199	0	46	-1.0	-51.27	373.37	5.06	-46.21
CCCCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844200	0	48	-1.0	-48.28	382.39	7.18	-41.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010844201	0	34	-1.0	-47.41	286.78	6.18	-41.23
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010844202	0	38	-1.0	-50.10	329.14	5.38	-44.72
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010844203	0	38	-1.0	-55.95	350.11	6.51	-49.44
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844204	0	42	-1.0	-67.21	354.72	5.82	-61.39
COC(=O)C1=CSC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844205	0	35	-1.0	-58.75	324.30	5.00	-53.75
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844206	0	44	-1.0	-63.73	350.44	6.50	-57.23
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010844207	0	41	-1.0	-52.16	340.72	5.89	-46.27
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844208	0	38	-1.0	-65.28	332.65	5.94	-59.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010844209	0	42	-1.0	-53.43	318.52	7.02	-46.41
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010844210	0	38	-1.0	-55.14	319.05	6.60	-48.54
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010844211	0	31	-1.0	-44.50	286.28	3.47	-41.03
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010844212	0	36	-1.0	-42.50	322.92	6.06	-36.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010844213	0	32	-1.0	-46.60	296.84	5.35	-41.25
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010844214	0	39	-1.0	-58.12	334.66	2.58	-55.54
CC1=C(Br)C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844215	0	35	-1.0	-47.36	296.51	5.79	-41.57
COC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010844216	0	36	-1.0	-46.68	319.79	4.67	-42.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010844217	0	43	-1.0	-59.90	351.94	6.90	-53.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010844218	0	40	-1.0	-50.30	348.76	1.48	-48.82
CCC(=O)NCC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010844219	0	49	-1.0	-56.55	397.47	3.75	-52.80
COC1=CC=C(Br)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844220	0	36	-1.0	-61.80	315.04	4.86	-56.94
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844221	0	41	-1.0	-54.32	352.03	3.10	-51.22
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010844222	0	34	-1.0	-56.36	324.54	5.25	-51.11
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844223	0	37	-1.0	-68.55	324.15	5.88	-62.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010844224	0	33	-1.0	-55.80	318.40	6.34	-49.46
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Br	REAL300010844225	0	39	-1.0	-51.34	341.57	5.59	-45.75
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010844226	0	37	-1.0	-43.53	320.70	0.09	-43.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010844227	0	46	-1.0	-51.24	382.87	6.64	-44.60
COC(=O)CC1(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844228	0	41	-1.0	-61.77	341.21	5.99	-55.78
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844229	0	37	-1.0	-68.74	334.29	5.59	-63.15
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010844230	0	37	-1.0	-61.44	312.24	4.63	-56.81
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010844231	0	40	-1.0	-62.70	334.32	6.06	-56.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010844232	0	38	-1.0	-72.20	314.64	1.84	-70.36
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010844233	0	42	-1.0	-52.71	349.65	5.63	-47.08
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010844234	0	37	-1.0	-60.92	324.54	5.51	-55.41
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010844235	0	42	-1.0	-60.21	335.37	5.85	-54.36
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844236	0	40	-1.0	-49.07	339.87	0.67	-48.40
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844237	0	41	-1.0	-54.84	332.95	5.92	-48.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010844238	0	36	-1.0	-61.61	309.92	5.40	-56.21
CSC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844239	0	36	-1.0	-48.83	306.74	5.62	-43.21
CCCOC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844240	0	44	-1.0	-48.08	364.65	6.97	-41.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010844241	0	38	-1.0	-50.66	333.16	6.51	-44.15
CCN(CC1=CC=CC=C1)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844242	0	43	-1.0	-43.90	330.60	6.73	-37.17
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010844243	0	31	-1.0	-57.93	295.08	4.04	-53.89
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010844244	0	38	-1.0	-65.13	314.11	5.17	-59.96
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010844245	0	37	-1.0	-61.75	304.50	5.71	-56.04
CC1=CC=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844246	0	35	-1.0	-59.08	305.23	6.24	-52.84
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010844247	0	40	-1.0	-61.63	334.29	4.84	-56.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010844248	0	48	-1.0	-57.53	381.67	5.53	-52.00
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OCC	REAL300010844249	0	46	-1.0	-51.26	368.88	5.65	-45.61
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010844250	0	38	-1.0	-72.53	321.11	4.07	-68.46
CC1=NN(C)C(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844251	0	38	-1.0	-45.47	295.88	3.32	-42.15
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010844252	0	37	-1.0	-52.01	320.79	-0.45	-52.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010844253	0	43	-1.0	-51.76	344.34	5.71	-46.05
CC(=O)N1CCCC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C21	REAL300010844254	0	46	-1.0	-65.62	359.11	6.19	-59.43
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C	REAL300010844255	0	40	-1.0	-58.72	330.03	6.86	-51.86
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844256	0	38	-1.0	-48.73	321.29	5.26	-43.47
CC(=O)N1CCC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C21	REAL300010844257	0	43	-1.0	-71.42	356.86	6.45	-64.97
CNC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844258	0	39	-1.0	-54.51	322.96	2.87	-51.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010844259	0	36	-1.0	-54.09	301.03	1.37	-52.72
CC(=O)N1C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2CC1C	REAL300010844260	0	46	-1.0	-62.90	370.89	6.91	-55.99
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=CS1	REAL300010844261	0	35	-1.0	-75.59	317.50	5.44	-70.15
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844262	0	35	-1.0	-57.38	322.37	5.44	-51.94
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010844263	0	36	-1.0	-47.58	326.47	5.89	-41.69
CCOC(=O)C1=CNN=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844264	0	38	-1.0	-72.62	329.14	3.83	-68.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010844265	0	38	-1.0	-61.60	332.82	2.33	-59.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010844266	0	38	-1.0	-59.77	327.00	2.55	-57.22
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010844267	0	38	-1.0	-60.39	333.71	2.71	-57.68
CC1=CC2=CC=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=C2N=C1	REAL300010844268	0	40	-1.0	-73.15	333.15	6.94	-66.21
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010844269	0	38	-1.0	-77.35	323.14	6.38	-70.97
COC1=CC(Cl)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844270	0	36	-1.0	-61.23	316.79	5.66	-55.57
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010844271	0	36	-1.0	-64.57	317.72	5.52	-59.05
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010844272	0	37	-1.0	-53.11	324.06	-0.35	-53.46
COC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844273	0	38	-1.0	-60.23	324.61	5.36	-54.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010844274	0	44	-1.0	-50.42	378.84	2.54	-47.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010844275	0	37	-1.0	-64.09	326.35	7.04	-57.05
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010844276	0	35	-1.0	-46.35	300.80	5.58	-40.77
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300010844277	0	35	-1.0	-62.99	304.39	6.14	-56.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010844278	0	38	-1.0	-59.93	329.95	2.04	-57.89
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010844279	0	38	-1.0	-56.00	327.25	2.12	-53.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010844280	0	39	-1.0	-56.45	342.13	4.60	-51.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010844281	0	40	-1.0	-62.01	343.81	6.86	-55.15
CC1=CC(F)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844282	0	35	-1.0	-48.42	284.88	5.35	-43.07
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010844283	0	41	-1.0	-48.02	325.43	6.19	-41.83
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010844284	0	40	-1.0	-62.48	326.35	6.13	-56.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010844285	0	38	-1.0	-56.76	323.97	4.66	-52.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010844286	0	37	-1.0	-58.63	323.95	6.84	-51.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844287	0	40	-1.0	-76.37	333.14	8.20	-68.17
CCOC(=O)C1CCCN(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C1	REAL300010844288	0	46	-1.0	-47.46	362.33	5.47	-41.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010844289	0	36	-1.0	-49.95	315.83	4.49	-45.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010844290	0	43	-1.0	-61.32	365.44	2.69	-58.63
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010844291	0	32	-1.0	-58.16	289.37	5.54	-52.62
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010844292	0	34	-1.0	-73.75	312.38	7.37	-66.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010844293	0	44	-1.0	-63.55	362.20	4.68	-58.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010844294	0	42	-1.0	-54.64	330.72	8.25	-46.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CC(C)CC(C)C1	REAL300010844295	0	43	-1.0	-59.66	335.44	5.90	-53.76
CCOC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844296	0	41	-1.0	-60.35	346.54	6.29	-54.06
CCOC(=O)N1CCC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844297	0	46	-1.0	-69.71	367.84	5.29	-64.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010844298	0	32	-1.0	-44.21	283.29	5.11	-39.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010844299	0	32	-1.0	-44.23	287.85	5.22	-39.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010844300	0	34	-1.0	-42.67	294.78	5.27	-37.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010844301	0	38	-1.0	-61.94	320.24	7.93	-54.01
CC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844302	0	39	-1.0	-58.11	322.91	3.47	-54.64
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844303	0	37	-1.0	-59.88	312.16	6.28	-53.60
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010844304	0	34	-1.0	-57.59	279.44	6.08	-51.51
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844305	0	39	-1.0	-63.33	342.74	6.67	-56.66
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844306	0	39	-1.0	-48.88	317.89	4.82	-44.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010844307	0	32	-1.0	-60.65	284.33	5.35	-55.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010844308	0	32	-1.0	-44.90	282.78	4.84	-40.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010844309	0	38	-1.0	-53.18	310.94	3.76	-49.42
CC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010844310	0	41	-1.0	-58.99	319.27	7.63	-51.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844311	0	47	-1.0	-61.89	360.14	7.93	-53.96
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010844312	0	32	-1.0	-46.69	301.76	5.66	-41.03
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010844313	0	32	-1.0	-48.59	282.54	4.81	-43.78
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010844314	0	32	-1.0	-59.26	299.71	6.00	-53.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010844315	0	35	-1.0	-50.87	308.59	5.68	-45.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010844316	0	35	-1.0	-50.01	288.48	5.74	-44.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010844317	0	35	-1.0	-45.93	318.36	6.02	-39.91
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010844318	0	32	-1.0	-49.87	286.58	5.20	-44.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010844319	0	35	-1.0	-58.74	322.01	6.49	-52.25
CC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844320	0	37	-1.0	-53.71	309.28	5.08	-48.63
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010844321	0	32	-1.0	-46.80	292.43	5.25	-41.55
CC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844322	0	37	-1.0	-64.29	310.31	5.09	-59.20
CC1=NC(C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300010844323	0	41	-1.0	-56.35	342.88	3.65	-52.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010844324	0	31	-1.0	-52.11	301.54	4.74	-47.37
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010844325	0	35	-1.0	-52.18	302.38	5.22	-46.96
COC1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844326	0	36	-1.0	-62.81	312.45	4.77	-58.04
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010844327	0	41	-1.0	-66.98	359.33	8.14	-58.84
COC(=O)CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844328	0	41	-1.0	-52.44	343.51	6.04	-46.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010844329	0	39	-1.0	-63.26	318.06	7.46	-55.80
CC1=CC=C(N2C=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300010844330	0	42	-1.0	-50.24	353.20	6.42	-43.82
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C21	REAL300010844331	0	43	-1.0	-60.11	348.68	5.73	-54.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010844332	0	33	-1.0	-71.06	302.87	5.65	-65.41
CC1=CC=C(C#N)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844333	0	36	-1.0	-60.94	304.70	6.00	-54.94
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010844334	0	46	-1.0	-57.39	370.10	4.11	-53.28
CC1CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300010844335	0	40	-1.0	-57.61	349.92	6.45	-51.16
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010844336	0	37	-1.0	-42.42	313.35	5.91	-36.51
COC(=O)C1=COC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844337	0	35	-1.0	-59.84	314.44	4.40	-55.44
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844338	0	43	-1.0	-59.64	358.90	5.38	-54.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010844339	0	34	-1.0	-59.90	308.26	4.83	-55.07
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844340	0	42	-1.0	-61.33	344.79	5.25	-56.08
COC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])SC=C1	REAL300010844341	0	33	-1.0	-69.40	297.39	3.86	-65.54
CC(=O)NC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010844342	0	42	-1.0	-58.51	343.99	4.43	-54.08
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010844343	0	44	-1.0	-53.23	340.68	5.16	-48.07
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010844344	0	34	-1.0	-53.84	305.11	4.89	-48.95
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010844345	0	38	-1.0	-61.23	325.86	4.73	-56.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010844346	0	41	-1.0	-61.70	349.27	6.98	-54.72
CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C#N	REAL300010844347	0	36	-1.0	-51.62	299.49	5.11	-46.51
COC1=CC(OC)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844348	0	40	-1.0	-63.20	335.32	3.93	-59.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010844349	0	38	-1.0	-54.35	317.99	6.04	-48.31
CCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1CC	REAL300010844350	0	44	-1.0	-49.65	343.51	7.17	-42.48
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844351	0	40	-1.0	-52.16	325.80	7.72	-44.44
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(C)O1	REAL300010844352	0	38	-1.0	-56.10	328.62	4.74	-51.36
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010844353	0	33	-1.0	-53.48	293.17	3.06	-50.42
COC(=O)C1=NSC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844354	0	34	-1.0	-51.74	296.21	3.28	-48.46
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300010844355	0	38	-1.0	-57.38	323.37	6.66	-50.72
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010844356	0	40	-1.0	-68.10	329.49	3.16	-64.94
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1C	REAL300010844357	0	39	-1.0	-69.15	337.43	5.45	-63.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010844358	0	32	-1.0	-55.80	299.42	5.92	-49.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010844359	0	31	-1.0	-44.67	281.71	3.36	-41.31
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844360	0	43	-1.0	-52.55	348.98	6.42	-46.13
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010844361	0	35	-1.0	-64.14	321.59	6.77	-57.37
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010844362	0	37	-1.0	-62.22	318.27	1.51	-60.71
CC1=CC(Cl)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844363	0	35	-1.0	-48.61	295.21	5.79	-42.82
CCOC(=O)C1CCCN1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844364	0	43	-1.0	-49.33	341.03	5.45	-43.88
CNC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1C	REAL300010844365	0	40	-1.0	-62.47	340.21	3.00	-59.47
COC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010844366	0	42	-1.0	-48.39	315.20	5.20	-43.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010844367	0	40	-1.0	-64.29	342.65	4.65	-59.64
COC(=O)C1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844368	0	41	-1.0	-66.39	352.94	7.04	-59.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010844369	0	43	-1.0	-47.27	342.02	4.74	-42.53
COC(=O)C1=CC=CC(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844370	0	41	-1.0	-58.16	349.24	6.16	-52.00
CCOC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])O1	REAL300010844371	0	38	-1.0	-60.54	337.67	5.05	-55.49
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010844372	0	43	-1.0	-61.91	360.49	9.46	-52.45
COC(=O)COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844373	0	42	-1.0	-54.30	352.40	5.52	-48.78
COC(=O)CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844374	0	45	-1.0	-49.63	373.35	5.67	-43.96
COC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844375	0	42	-1.0	-60.26	331.61	6.07	-54.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010844376	0	36	-1.0	-72.34	314.62	5.71	-66.63
CCOC(=O)CCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844377	0	40	-1.0	-68.57	336.24	5.92	-62.65
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010844378	0	35	-1.0	-66.18	306.40	6.79	-59.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010844379	0	34	-1.0	-73.12	314.97	7.70	-65.42
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844380	0	37	-1.0	-78.51	295.40	7.41	-71.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010844381	0	34	-1.0	-54.93	313.79	6.23	-48.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Br)C=CS1	REAL300010844382	0	29	-1.0	-47.12	273.45	4.13	-42.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010844383	0	36	-1.0	-57.39	308.39	5.66	-51.73
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010844384	0	40	-1.0	-51.52	308.00	5.59	-45.93
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010844385	0	34	-1.0	-47.54	306.14	4.16	-43.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010844386	0	40	-1.0	-65.40	337.67	4.47	-60.93
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010844387	0	37	-1.0	-67.38	306.40	5.40	-61.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010844388	0	31	-1.0	-56.20	299.51	4.22	-51.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010844389	0	34	-1.0	-58.33	306.15	5.95	-52.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010844390	0	34	-1.0	-45.13	314.22	5.82	-39.31
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844391	0	41	-1.0	-68.61	355.70	3.84	-64.77
CCN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010844392	0	37	-1.0	-52.71	313.57	5.09	-47.62
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010844393	0	34	-1.0	-72.70	301.97	6.58	-66.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010844394	0	34	-1.0	-52.93	310.90	6.07	-46.86
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010844395	0	39	-1.0	-49.02	337.46	5.28	-43.74
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010844396	0	34	-1.0	-73.40	316.95	7.48	-65.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010844397	0	46	-1.0	-49.86	377.80	7.87	-41.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010844398	0	47	-1.0	-55.22	350.03	7.32	-47.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010844399	0	40	-1.0	-67.06	355.14	1.92	-65.14
CCC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844400	0	40	-1.0	-64.74	332.96	5.97	-58.77
CCOC(=O)N1CCN(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844401	0	45	-1.0	-59.77	363.83	4.36	-55.41
COC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010844402	0	41	-1.0	-49.17	342.89	5.93	-43.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010844403	0	42	-1.0	-58.67	362.24	6.91	-51.76
CC(C)CCN(CCC(C)C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844404	0	54	-1.0	-61.74	412.97	8.31	-53.43
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010844405	0	40	-1.0	-56.49	343.79	1.22	-55.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010844406	0	35	-1.0	-50.79	300.84	5.59	-45.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010844407	0	38	-1.0	-60.68	331.55	2.15	-58.53
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(F)C=C1F	REAL300010844408	0	35	-1.0	-60.24	305.55	5.85	-54.39
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844409	0	39	-1.0	-62.85	339.55	6.33	-56.52
CC(C)N1N=CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C21	REAL300010844410	0	44	-1.0	-51.64	360.43	6.23	-45.41
CC1=CN(C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2F)N=C1	REAL300010844411	0	42	-1.0	-47.48	354.49	6.74	-40.74
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844412	0	39	-1.0	-64.98	354.20	4.53	-60.45
CCS(=O)(=O)NCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844413	0	39	-1.0	-55.06	334.50	-0.45	-55.51
CC1=CC(F)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844414	0	35	-1.0	-61.06	304.67	6.00	-55.06
CC1=CC(Cl)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844415	0	37	-1.0	-58.27	327.26	6.65	-51.62
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010844416	0	38	-1.0	-59.49	331.26	6.54	-52.95
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010844417	0	29	-1.0	-54.97	297.04	5.37	-49.60
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010844418	0	44	-1.0	-63.73	368.98	7.50	-56.23
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010844419	0	32	-1.0	-66.38	285.14	5.21	-61.17
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010844420	0	32	-1.0	-61.25	299.22	5.90	-55.35
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010844421	0	38	-1.0	-49.83	320.89	6.13	-43.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010844422	0	38	-1.0	-58.94	349.51	6.05	-52.89
CC1=NN(C)C2=NC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C12	REAL300010844423	0	40	-1.0	-47.91	336.31	4.38	-43.53
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844424	0	39	-1.0	-52.45	339.30	5.40	-47.05
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010844425	0	35	-1.0	-51.45	321.04	6.18	-45.27
CC1=NOC2=NC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C12	REAL300010844426	0	36	-1.0	-52.83	309.69	1.60	-51.23
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010844427	0	41	-1.0	-49.01	348.10	7.44	-41.57
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010844428	0	34	-1.0	-47.54	306.14	4.16	-43.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010844429	0	34	-1.0	-57.32	313.89	6.24	-51.08
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844430	0	38	-1.0	-72.67	329.00	6.96	-65.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010844431	0	35	-1.0	-49.67	307.91	5.98	-43.69
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010844432	0	44	-1.0	-70.08	364.02	3.19	-66.89
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010844433	0	39	-1.0	-62.74	344.13	6.16	-56.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010844434	0	32	-1.0	-59.11	304.28	6.10	-53.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010844435	0	40	-1.0	-54.99	345.61	2.81	-52.18
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010844436	0	41	-1.0	-50.69	351.00	6.31	-44.38
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010844437	0	40	-1.0	-74.46	340.10	6.02	-68.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010844438	0	35	-1.0	-48.22	325.90	6.68	-41.54
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010844439	0	38	-1.0	-56.76	337.88	8.42	-48.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010844440	0	35	-1.0	-63.53	323.37	6.96	-56.57
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010844441	0	38	-1.0	-64.36	322.19	8.52	-55.84
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010844442	0	38	-1.0	-69.50	327.96	7.69	-61.81
CCOC(=O)C1CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010844443	0	46	-1.0	-63.65	389.76	7.57	-56.08
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010844444	0	38	-1.0	-52.15	334.93	2.25	-49.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010844445	0	45	-1.0	-53.96	373.96	6.16	-47.80
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010844446	0	43	-1.0	-65.21	373.57	2.77	-62.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010844447	0	33	-1.0	-44.16	292.11	5.22	-38.94
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300010844448	0	43	-1.0	-51.18	344.42	5.36	-45.82
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(Cl)N1C	REAL300010844449	0	32	-1.0	-57.04	295.30	3.99	-53.05
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844450	0	37	-1.0	-55.37	322.76	7.06	-48.31
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300010844451	0	32	-1.0	-63.89	296.61	4.16	-59.73
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010844452	0	35	-1.0	-43.72	308.72	5.28	-38.44
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844453	0	38	-1.0	-72.87	339.34	7.40	-65.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844454	0	44	-1.0	-55.99	334.83	4.51	-51.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010844455	0	37	-1.0	-60.48	312.19	5.19	-55.29
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010844456	0	38	-1.0	-54.07	330.57	2.20	-51.87
CCOC(=O)C1CCN(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844457	0	46	-1.0	-62.86	369.02	6.41	-56.45
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844458	0	40	-1.0	-72.37	333.11	6.95	-65.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010844459	0	35	-1.0	-80.94	302.81	4.49	-76.45
CCC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844460	0	42	-1.0	-58.02	343.20	4.30	-53.72
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010844461	0	35	-1.0	-64.81	321.13	6.75	-58.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010844462	0	33	-1.0	-79.27	293.62	6.17	-73.10
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844463	0	41	-1.0	-55.41	338.07	6.54	-48.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010844464	0	32	-1.0	-59.36	289.38	5.54	-53.82
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844465	0	51	-1.0	-59.01	395.45	7.35	-51.66
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010844466	0	35	-1.0	-51.47	321.40	6.42	-45.05
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844467	0	39	-1.0	-65.57	348.01	4.81	-60.76
CC1CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010844468	0	40	-1.0	-60.25	333.30	5.94	-54.31
COC1=CC(Cl)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844469	0	36	-1.0	-58.37	328.48	5.32	-53.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844470	0	44	-1.0	-57.47	350.45	3.38	-54.09
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CS1	REAL300010844471	0	35	-1.0	-65.95	323.55	5.02	-60.93
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844472	0	41	-1.0	-71.64	361.31	7.84	-63.80
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010844473	0	43	-1.0	-59.80	381.63	9.10	-50.70
COC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C	REAL300010844474	0	41	-1.0	-49.73	326.27	5.69	-44.04
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010844475	0	34	-1.0	-52.61	325.80	6.62	-45.99
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844476	0	36	-1.0	-54.01	325.86	6.44	-47.57
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844477	0	44	-1.0	-58.22	354.82	5.92	-52.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010844478	0	34	-1.0	-57.18	298.12	5.36	-51.82
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300010844479	0	46	-1.0	-49.48	378.38	8.18	-41.30
COC1=CC=C(C)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844480	0	39	-1.0	-66.12	320.74	6.04	-60.08
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010844481	0	36	-1.0	-64.32	318.99	6.77	-57.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010844482	0	35	-1.0	-54.17	301.54	2.20	-51.97
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010844483	0	40	-1.0	-48.34	332.74	5.13	-43.21
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010844484	0	32	-1.0	-44.18	294.34	5.70	-38.48
COC(=O)C1CCN(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844485	0	43	-1.0	-48.58	340.41	4.55	-44.03
COC1=C(C)C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844486	0	42	-1.0	-59.89	349.92	6.20	-53.69
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300010844487	0	41	-1.0	-68.92	372.53	6.53	-62.39
COCC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844488	0	39	-1.0	-52.40	324.98	4.41	-47.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010844489	0	32	-1.0	-62.42	308.34	5.43	-56.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010844490	0	41	-1.0	-65.18	354.02	7.35	-57.83
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010844491	0	38	-1.0	-49.48	338.38	5.57	-43.91
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010844492	0	38	-1.0	-58.59	359.83	6.50	-52.09
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCOCC(F)(F)F	REAL300010844493	0	35	-1.0	-59.16	312.52	3.90	-55.26
CC1=NC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2O1	REAL300010844494	0	37	-1.0	-50.93	313.45	2.37	-48.56
CCC1=CC=CC(CC)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844495	0	44	-1.0	-45.11	304.83	7.09	-38.02
CC1=CC(Br)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844497	0	32	-1.0	-59.17	305.92	5.87	-53.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010844498	0	37	-1.0	-64.61	335.50	6.09	-58.52
CC1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844499	0	41	-1.0	-64.90	337.41	7.42	-57.48
CC1=C(Br)SC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=N1	REAL300010844500	0	31	-1.0	-59.52	304.42	3.67	-55.85
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844501	0	37	-1.0	-55.36	314.81	6.71	-48.65
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010844502	0	36	-1.0	-50.74	322.42	3.56	-47.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010844503	0	37	-1.0	-66.70	317.17	7.26	-59.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010844504	0	40	-1.0	-63.16	335.44	6.68	-56.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010844505	0	40	-1.0	-62.83	347.04	7.88	-54.95
CC1=NN2C=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010844506	0	37	-1.0	-54.59	335.34	5.58	-49.01
CCCN1C=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844507	0	38	-1.0	-66.71	323.75	6.09	-60.62
CCCCCCN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300010844508	0	50	-1.0	-71.39	411.35	5.96	-65.43
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010844509	0	32	-1.0	-40.33	290.09	5.00	-35.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010844510	0	35	-1.0	-55.81	305.02	5.57	-50.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010844511	0	43	-1.0	-62.48	355.67	6.83	-55.65
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010844512	0	36	-1.0	-50.03	320.50	5.93	-44.10
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010844513	0	37	-1.0	-52.64	329.33	6.65	-45.99
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844514	0	38	-1.0	-72.83	329.01	6.96	-65.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010844515	0	46	-1.0	-45.66	375.64	5.90	-39.76
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010844516	0	35	-1.0	-74.55	305.66	4.74	-69.81
CC1=CC=C(Br)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844517	0	35	-1.0	-62.33	306.97	6.24	-56.09
CC1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844518	0	35	-1.0	-63.14	304.35	6.14	-57.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010844519	0	35	-1.0	-51.45	306.16	5.62	-45.83
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844520	0	43	-1.0	-49.40	370.22	2.37	-47.03
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010844521	0	31	-1.0	-57.29	292.08	5.02	-52.27
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010844522	0	43	-1.0	-59.49	356.64	5.87	-53.62
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010844523	0	35	-1.0	-46.88	327.77	6.60	-40.28
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010844524	0	40	-1.0	-81.67	353.48	3.54	-78.13
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010844525	0	31	-1.0	-54.34	295.23	4.09	-50.25
CCN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])N=C1C	REAL300010844526	0	38	-1.0	-56.35	315.78	5.23	-51.12
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844527	0	37	-1.0	-57.73	327.00	4.17	-53.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010844528	0	35	-1.0	-62.04	338.22	2.23	-59.81
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010844529	0	40	-1.0	-48.63	320.15	5.23	-43.40
CC(C)OC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844530	0	42	-1.0	-47.27	335.81	5.44	-41.83
CC1=C(C)SC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844531	0	35	-1.0	-61.94	309.91	5.75	-56.19
COCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844532	0	39	-1.0	-48.78	321.63	4.33	-44.45
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010844533	0	41	-1.0	-57.02	351.60	4.19	-52.83
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010844534	0	43	-1.0	-51.69	323.42	10.70	-40.99
CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1Cl	REAL300010844535	0	35	-1.0	-63.93	301.74	6.04	-57.89
CC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010844536	0	37	-1.0	-43.78	328.87	5.82	-37.96
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010844537	0	43	-1.0	-62.77	381.01	4.29	-58.48
COC(=O)C1(C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300010844538	0	45	-1.0	-62.15	374.61	7.96	-54.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010844539	0	36	-1.0	-61.68	333.33	7.12	-54.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010844540	0	41	-1.0	-72.12	340.69	9.42	-62.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCOC(C)(C)C1	REAL300010844541	0	41	-1.0	-48.10	313.93	2.93	-45.17
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010844542	0	35	-1.0	-46.43	295.92	3.36	-43.07
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010844543	0	40	-1.0	-53.64	313.54	6.45	-47.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010844544	0	38	-1.0	-57.38	310.04	6.53	-50.85
CC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010844545	0	45	-1.0	-70.37	363.07	6.23	-64.14
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1CCOCC1	REAL300010844546	0	44	-1.0	-47.11	344.32	1.77	-45.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010844547	0	38	-1.0	-55.47	343.06	3.75	-51.72
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844548	0	41	-1.0	-57.54	359.33	6.99	-50.55
COCC1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844549	0	39	-1.0	-60.58	316.63	5.25	-55.33
CCC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010844550	0	41	-1.0	-59.13	356.12	5.54	-53.59
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010844551	0	49	-1.0	-67.00	386.46	7.46	-59.54
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844552	0	45	-1.0	-59.73	381.11	7.40	-52.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010844553	0	33	-1.0	-59.51	303.66	5.86	-53.65
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844554	0	36	-1.0	-58.21	327.04	5.82	-52.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010844555	0	39	-1.0	-57.12	315.99	5.46	-51.66
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010844556	0	37	-1.0	-64.99	322.41	5.55	-59.44
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010844557	0	52	-1.0	-61.14	394.36	7.33	-53.81
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010844558	0	46	-1.0	-49.68	358.98	4.86	-44.82
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010844559	0	43	-1.0	-49.97	364.70	5.40	-44.57
CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1F	REAL300010844560	0	35	-1.0	-66.80	299.28	5.78	-61.02
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844561	0	38	-1.0	-55.80	323.49	3.29	-52.51
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010844562	0	34	-1.0	-53.57	310.99	4.57	-49.00
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])SC=N1	REAL300010844563	0	34	-1.0	-68.05	302.99	3.49	-64.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844564	0	38	-1.0	-58.06	337.46	6.06	-52.00
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300010844566	0	39	-1.0	-58.13	318.86	5.34	-52.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010844567	0	39	-1.0	-53.92	330.90	5.14	-48.78
COC(=O)C1CCCCC1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844568	0	44	-1.0	-67.38	342.03	7.30	-60.08
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844569	0	47	-1.0	-45.04	356.94	5.80	-39.24
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844570	0	40	-1.0	-69.73	350.80	7.55	-62.18
CC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844571	0	39	-1.0	-58.11	322.91	3.47	-54.64
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844572	0	40	-1.0	-51.28	321.62	6.52	-44.76
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010844573	0	37	-1.0	-63.86	330.79	5.88	-57.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010844574	0	32	-1.0	-44.18	294.34	5.70	-38.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010844575	0	34	-1.0	-57.59	279.44	6.08	-51.51
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)O1	REAL300010844576	0	29	-1.0	-59.70	280.64	4.06	-55.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CCCCC1	REAL300010844577	0	42	-1.0	-44.62	325.55	5.69	-38.93
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C)CCCCC1	REAL300010844578	0	44	-1.0	-62.94	325.17	6.99	-55.95
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010844579	0	34	-1.0	-57.18	298.12	5.36	-51.82
COC1=CC(Br)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844580	0	36	-1.0	-59.18	327.06	5.25	-53.93
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1C	REAL300010844581	0	42	-1.0	-68.83	359.29	6.37	-62.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010844582	0	45	-1.0	-56.08	382.23	5.89	-50.19
CCC1=NOC2=NC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C12	REAL300010844583	0	39	-1.0	-51.85	331.17	2.33	-49.52
CCC1=NC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844584	0	34	-1.0	-58.06	306.29	3.92	-54.14
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010844585	0	44	-1.0	-51.32	353.78	6.14	-45.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010844586	0	32	-1.0	-65.14	289.17	6.39	-58.75
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(Cl)=N1	REAL300010844587	0	34	-1.0	-62.48	299.76	4.22	-58.26
COC1=CC(C#N)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844588	0	37	-1.0	-61.88	320.78	5.55	-56.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010844589	0	39	-1.0	-61.82	336.94	6.87	-54.95
CSC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844590	0	36	-1.0	-45.20	325.02	6.15	-39.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844591	0	34	-1.0	-55.25	314.47	5.70	-49.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010844592	0	42	-1.0	-51.49	353.05	1.40	-50.09
COC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010844593	0	35	-1.0	-48.55	310.80	2.59	-45.96
CC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844594	0	37	-1.0	-53.71	309.28	5.08	-48.63
CCN1C(=O)OC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C21	REAL300010844595	0	41	-1.0	-44.37	345.77	5.67	-38.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010844596	0	47	-1.0	-45.12	383.56	5.14	-39.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010844597	0	31	-1.0	-53.12	295.65	5.43	-47.69
CCC1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844599	0	41	-1.0	-50.02	337.29	6.95	-43.07
CC1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844600	0	38	-1.0	-62.89	325.73	6.93	-55.96
CC1=CC(Br)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844601	0	35	-1.0	-48.58	299.72	5.90	-42.68
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010844602	0	36	-1.0	-74.37	308.38	5.06	-69.31
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010844603	0	32	-1.0	-60.62	299.22	5.90	-54.72
COC1=CC=CC(OC)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844604	0	40	-1.0	-52.28	316.22	5.59	-46.69
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1C	REAL300010844605	0	59	-1.0	-52.24	446.73	8.87	-43.37
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010844606	0	41	-1.0	-63.05	334.65	6.88	-56.17
CC1=CC=CC(F)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844607	0	35	-1.0	-67.98	290.64	6.13	-61.85
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844608	0	46	-1.0	-69.42	394.35	6.31	-63.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010844609	0	33	-1.0	-60.76	303.72	5.86	-54.90
CC1=NC(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CS1	REAL300010844610	0	34	-1.0	-54.75	300.84	3.19	-51.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010844611	0	35	-1.0	-58.74	320.22	4.42	-54.32
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010844612	0	38	-1.0	-59.22	343.47	8.22	-51.00
COC(=O)CCCCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844613	0	43	-1.0	-49.48	354.45	5.65	-43.83
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010844614	0	37	-1.0	-60.13	320.62	4.47	-55.66
COC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844615	0	40	-1.0	-54.19	333.73	2.81	-51.38
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=NC=CN3)CC2)C1	REAL300010847001	1	40	-1.0	-53.86	333.77	2.35	-51.51
CC1=NSC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847003	0	42	-1.0	-47.74	361.95	4.09	-43.65
N#CC1=CC(F)=CC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847005	0	44	-1.0	-47.21	380.72	6.27	-40.94
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CNC4=CC=CC=C43)CC2)C1	REAL300010847006	0	47	-1.0	-50.25	382.62	5.60	-44.65
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CNC(=O)S3)CC2)C1	REAL300010847007	0	40	-1.0	-53.81	349.81	1.72	-52.09
CC1=NOC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847008	0	42	-1.0	-51.05	347.92	3.73	-47.32
CC(C)(CCl)CS(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847009	0	48	-1.0	-44.47	381.53	6.15	-38.32
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC=C(F)N=C3F)CC2)C1	REAL300010847010	0	42	-1.0	-53.33	354.51	3.72	-49.61
CS(C)(=O)=NS(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847011	0	43	-1.0	-63.77	357.51	1.69	-62.08
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N=S3(=O)CCCC3)CC2)C1	REAL300010847012	0	47	-1.0	-59.08	383.94	2.98	-56.10
CC(F)(F)CCS(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847013	0	45	-1.0	-48.24	371.52	5.20	-43.04
CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847014	0	50	-1.0	-57.88	389.90	5.51	-52.37
CN1C=NN=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847015	0	42	-1.0	-55.37	346.65	5.00	-50.37
CCS(=O)(CC)=NS(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847016	0	49	-1.0	-65.96	396.56	3.34	-62.62
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3CC(=O)N(C4CC4)C3)CC2)C1	REAL300010847017	0	51	-1.0	-57.45	404.80	5.14	-52.31
CCN1CC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)CC1=O	REAL300010847018	0	50	-1.0	-52.25	397.37	4.41	-47.84
CN(C)C1(CS(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)CC1	REAL300010847019	0	51	-1.0	-55.09	397.61	4.32	-50.77
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CCC(C)(C)CCS(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847021	0	54	-1.0	-44.93	408.36	6.48	-38.45
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CC1=COC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847120	0	43	-1.0	-51.71	357.56	4.50	-47.21
CC1=CC=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)O1	REAL300010847121	0	43	-1.0	-51.97	357.58	4.65	-47.32
CCC1=NNC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847122	0	46	-1.0	-49.79	366.54	3.20	-46.59
CC1=CC=CC(CNS(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847123	0	51	-1.0	-51.75	413.47	5.73	-46.02
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N3C[C@@H]4CCCC[C@@H]4C3)CC2)C1	REAL300010847124	0	55	-1.0	-56.40	414.21	6.33	-50.07
CN1N=CC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1Cl	REAL300010847125	0	43	-1.0	-47.29	366.02	3.59	-43.70
CC(=O)OC1CCN(C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C1	REAL300010847126	0	50	-1.0	-60.50	384.98	7.28	-53.22
N#CC1=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)OC=C1	REAL300010847127	0	41	-1.0	-56.37	355.65	4.30	-52.07
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=C(Cl)OC=C3)CC2)C1	REAL300010847128	0	40	-1.0	-50.68	348.27	4.18	-46.50
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC(Cl)=CS3)CC2)C1	REAL300010847129	0	40	-1.0	-49.35	361.79	5.35	-44.00
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC=CC=C3C3CC3)CC2)C1	REAL300010847130	0	50	-1.0	-51.98	387.44	7.49	-44.49
CC1(C)CCN(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)CC1	REAL300010847131	0	54	-1.0	-44.28	401.58	5.72	-38.56
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N3CCC(CO)CC3)CC2)C1	REAL300010847132	0	52	-1.0	-45.09	398.53	2.13	-42.96
COC1=NC=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C=C1C	REAL300010847133	0	49	-1.0	-48.37	400.79	3.23	-45.14
CC(C)CN1C=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C=N1	REAL300010847134	0	52	-1.0	-52.38	415.92	6.00	-46.38
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847135	0	52	-1.0	-52.40	411.25	5.18	-47.22
N#CC1=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C=CO1	REAL300010847136	0	41	-1.0	-53.30	353.68	4.10	-49.20
N#CC1=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)SC=C1	REAL300010847137	0	41	-1.0	-54.76	362.51	5.21	-49.55
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=NNN=C3)CC2)C1	REAL300010847138	0	39	-1.0	-50.37	328.96	0.75	-49.62
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=NC=CC=C3Cl)CC2)C1	REAL300010847139	0	42	-1.0	-54.03	361.84	4.51	-49.52
COC1=CC=NC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847140	0	46	-1.0	-53.47	370.46	3.76	-49.71
CC1=CC=NC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847141	0	45	-1.0	-52.06	354.97	4.40	-47.66
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847142	0	49	-1.0	-52.26	395.89	5.06	-47.20
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC=NN3CC3CC3)CC2)C1	REAL300010847143	0	50	-1.0	-52.27	406.66	5.92	-46.35
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N3CCC4=CC=CN=C43)CC2)C1	REAL300010847144	0	48	-1.0	-55.64	388.06	6.21	-49.43
CC1=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C=NN1C(C)C	REAL300010847145	0	52	-1.0	-53.64	410.47	5.25	-48.39
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300010847146	0	43	-1.0	-50.28	368.88	6.28	-44.00
CC1(C)COCCN1C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847147	0	51	-1.0	-50.50	370.10	6.20	-44.30
C[C@@H]1CN(C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C[C@H](C)O1	REAL300010847148	0	51	-1.0	-50.71	379.48	6.40	-44.31
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC=CC(O)=C3)CC2)C1	REAL300010847149	0	44	-1.0	-49.15	364.51	2.96	-46.19
CC1=CN=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C(C)=C1	REAL300010847150	0	48	-1.0	-52.59	380.39	5.14	-47.45
CC1=CN=CC=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847151	0	45	-1.0	-51.03	355.11	4.41	-46.62
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CSN=C3)CC2)C1	REAL300010847152	0	39	-1.0	-50.75	337.80	3.37	-47.38
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CC4CC3C4)CC2)C1	REAL300010847153	0	45	-1.0	-50.82	338.65	7.10	-43.72
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N3CC4CCC(C3)O4)CC2)C1	REAL300010847154	0	50	-1.0	-45.83	384.74	3.89	-41.94
N#CC1CCN(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)CC1	REAL300010847155	0	49	-1.0	-51.75	387.45	5.11	-46.64
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C=CC3=CC=C(F)C=C3)CC2)C1	REAL300010847156	0	47	-1.0	-51.59	391.29	7.08	-44.51
COC1=CC=NC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847157	0	46	-1.0	-53.36	379.33	3.20	-50.16
C=CCN(CC=C)S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847158	0	49	-1.0	-48.52	393.31	5.65	-42.87
COC1=CC=C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)N=C1	REAL300010847159	0	46	-1.0	-53.24	378.40	3.20	-50.04
CC1=CC=CN=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847160	0	45	-1.0	-52.64	365.32	4.69	-47.95
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847161	0	49	-1.0	-57.18	398.84	4.95	-52.23
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCC4=CC=CC=C4C3)CC2)C1	REAL300010847162	0	51	-1.0	-53.88	385.56	9.53	-44.35
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CC4CCC3C4)CC2)C1	REAL300010847163	0	48	-1.0	-49.53	353.76	7.64	-41.89
CC(C)CN(C)C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847164	0	49	-1.0	-46.74	360.03	7.54	-39.20
CC1=CC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC=N1	REAL300010847165	0	45	-1.0	-52.69	368.94	4.61	-48.08
CC1=CC(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC(C)=N1	REAL300010847166	0	48	-1.0	-53.10	390.55	5.23	-47.87
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)N3CCC(F)(F)C3)CC2)C1	REAL300010847167	0	45	-1.0	-56.56	370.51	4.35	-52.21
CN(C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1)C1=CC=CC=C1	REAL300010847168	0	47	-1.0	-49.24	352.86	8.40	-40.84
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCCCC3)CC2)C1	REAL300010847169	0	47	-1.0	-58.94	347.72	7.42	-51.52
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CC4=CC=CC=C4C3)CC2)C1	REAL300010847170	0	48	-1.0	-58.21	369.94	8.46	-49.75
CN(CCC1=CC=CC=C1)C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847171	0	53	-1.0	-47.62	405.39	10.00	-37.62
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCC(C(F)(F)F)CC3)CC2)C1	REAL300010847172	0	50	-1.0	-58.08	389.10	8.38	-49.70
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)CC2)C1	REAL300010847173	0	54	-1.0	-58.56	391.73	8.75	-49.81
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)C1	REAL300010847174	0	57	-1.0	-56.81	398.80	9.52	-47.29
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCC(F)(F)C3)CC2)C1	REAL300010847175	0	44	-1.0	-48.83	343.22	6.58	-42.25
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CN=CS3)CC2)C1	REAL300010847176	0	39	-1.0	-51.06	339.56	2.95	-48.11
CC1CCCCN1C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010847177	0	50	-1.0	-48.33	361.14	7.91	-40.42
CN(C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1)C1CC1	REAL300010847178	0	44	-1.0	-49.22	328.28	6.51	-42.71
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC(N3CC(C(=O)[O-])CC3=O)CC1)C2	REAL300010847179	0	60	-1.0	-53.17	415.33	9.97	-43.20
CO[C@H]1CCN(C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C1	REAL300010847180	0	48	-1.0	-49.59	363.24	5.18	-44.41
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCCCCC3)CC2)C1	REAL300010847181	0	50	-1.0	-48.85	357.29	8.15	-40.70
CC1(C)CCN(C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)CC1	REAL300010847182	0	53	-1.0	-52.64	382.05	8.30	-44.34
CCN(C(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1)C1=CC=CC=C1	REAL300010847183	0	50	-1.0	-52.61	370.11	8.97	-43.64
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCCC4=CC=CC=C43)CC2)C1	REAL300010847184	0	51	-1.0	-53.83	379.38	9.73	-44.10
O=C([O-])C1CC(=O)N(C2CCN(C(=O)N3CCOC(C4CC4)C3)CC2)C1	REAL300010847185	0	52	-1.0	-58.13	391.17	7.23	-50.90
CC1=CC=C(O)C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847186	0	47	-1.0	-47.80	373.84	4.64	-43.16
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010847187	0	38	-1.0	-55.32	334.53	8.28	-47.04
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CN=C1Cl	REAL300010847188	0	31	-1.0	-55.51	288.30	4.45	-51.06
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010847189	0	32	-1.0	-51.54	307.67	6.62	-44.92
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300010847190	0	32	-1.0	-45.87	289.33	6.04	-39.83
CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1C	REAL300010847191	0	44	-1.0	-54.19	332.60	8.05	-46.14
COC(=O)CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	REAL300010847192	0	41	-1.0	-58.03	350.78	6.45	-51.58
COC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847193	0	38	-1.0	-69.24	328.47	7.38	-61.86
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847194	0	41	-1.0	-42.66	362.69	7.59	-35.07
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010847195	0	32	-1.0	-54.92	308.23	6.75	-48.17
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847196	0	38	-1.0	-41.72	341.62	6.74	-34.98
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847197	0	44	-1.0	-54.26	358.40	8.01	-46.25
CC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847198	0	41	-1.0	-54.46	342.43	7.62	-46.84
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847199	0	44	-1.0	-53.37	365.19	8.59	-44.78
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847200	0	43	-1.0	-55.29	382.12	4.00	-51.29
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010847201	0	36	-1.0	-45.65	322.03	2.82	-42.83
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847202	0	42	-1.0	-57.11	368.70	5.02	-52.09
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010847203	0	34	-1.0	-41.75	315.10	6.64	-35.11
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010847204	0	32	-1.0	-44.35	305.69	7.17	-37.18
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300010847205	0	29	-1.0	-39.23	295.21	5.62	-33.61
CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847206	0	41	-1.0	-53.68	350.91	8.22	-45.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010847207	0	32	-1.0	-42.59	308.17	6.59	-36.00
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Br	REAL300010847208	0	36	-1.0	-46.08	336.02	5.96	-40.12
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847209	0	43	-1.0	-59.50	366.24	4.79	-54.71
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010847210	0	32	-1.0	-49.32	294.74	5.81	-43.51
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010847211	0	32	-1.0	-39.79	319.54	7.01	-32.78
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1Cl	REAL300010847212	0	32	-1.0	-56.83	293.49	6.31	-50.52
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847213	0	44	-1.0	-48.31	395.57	7.29	-41.02
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847214	0	44	-1.0	-67.09	383.80	8.22	-58.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010847215	0	32	-1.0	-47.84	294.37	6.26	-41.58
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010847216	0	31	-1.0	-43.46	297.96	4.62	-38.84
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010847217	0	32	-1.0	-45.25	299.72	6.38	-38.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010847218	0	35	-1.0	-39.23	322.97	7.49	-31.74
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1Br	REAL300010847219	0	35	-1.0	-50.87	325.85	7.19	-43.68
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1NC(C)=O	REAL300010847220	0	43	-1.0	-56.56	371.02	4.31	-52.25
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010847221	0	36	-1.0	-49.90	332.50	5.79	-44.11
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1C	REAL300010847222	0	47	-1.0	-54.94	348.90	8.59	-46.35
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010847223	0	41	-1.0	-52.67	349.33	5.94	-46.73
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847224	0	37	-1.0	-40.84	333.01	7.30	-33.54
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)S1	REAL300010847225	0	29	-1.0	-39.36	299.84	5.72	-33.64
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1Cl	REAL300010847226	0	38	-1.0	-51.37	337.29	8.11	-43.26
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847227	0	36	-1.0	-55.99	331.19	6.53	-49.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847228	0	50	-1.0	-44.82	381.06	9.56	-35.26
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010847229	0	48	-1.0	-53.36	388.23	9.81	-43.55
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010847230	0	35	-1.0	-51.19	320.93	6.69	-44.50
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010847231	0	42	-1.0	-46.90	348.81	8.48	-38.42
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847232	0	40	-1.0	-50.40	338.65	5.17	-45.23
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1OC	REAL300010847233	0	40	-1.0	-47.56	344.84	5.19	-42.37
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010847234	0	42	-1.0	-42.95	383.30	5.57	-37.38
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010847235	0	39	-1.0	-46.12	331.62	7.88	-38.24
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847236	0	39	-1.0	-48.07	361.13	4.17	-43.90
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010847237	0	40	-1.0	-54.61	335.15	8.17	-46.44
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010847238	0	32	-1.0	-53.98	288.50	5.75	-48.23
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847239	0	42	-1.0	-56.86	355.53	5.55	-51.31
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010847240	0	29	-1.0	-49.21	303.86	5.98	-43.23
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847241	0	47	-1.0	-53.67	389.97	9.51	-44.16
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010847242	0	38	-1.0	-47.49	314.13	7.81	-39.68
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010847243	0	42	-1.0	-54.54	360.55	9.42	-45.12
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010847244	0	35	-1.0	-50.47	331.83	7.28	-43.19
CC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847245	0	35	-1.0	-54.09	305.70	6.74	-47.35
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010847246	0	32	-1.0	-49.99	323.79	7.72	-42.27
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847247	0	47	-1.0	-54.20	372.63	8.48	-45.72
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847248	0	35	-1.0	-41.74	321.58	7.11	-34.63
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010847249	0	32	-1.0	-46.10	305.32	6.18	-39.92
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847250	0	35	-1.0	-57.57	309.09	6.61	-50.96
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010847251	0	32	-1.0	-49.36	314.66	6.60	-42.76
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010847252	0	35	-1.0	-53.65	321.15	6.69	-46.96
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010847253	0	32	-1.0	-39.02	313.94	6.56	-32.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010847254	0	32	-1.0	-39.09	299.63	6.02	-33.07
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010847255	0	33	-1.0	-53.17	293.75	4.73	-48.44
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847256	0	35	-1.0	-50.71	313.07	6.70	-44.01
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010847257	0	35	-1.0	-42.51	330.43	7.05	-35.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010847258	0	37	-1.0	-66.05	316.42	6.76	-59.29
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010847259	0	35	-1.0	-38.86	312.64	7.04	-31.82
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010847260	0	43	-1.0	-54.39	391.88	9.39	-45.00
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010847261	0	32	-1.0	-57.12	303.86	6.44	-50.68
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010847262	0	32	-1.0	-41.89	295.62	6.12	-35.77
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847263	0	38	-1.0	-40.63	333.06	7.04	-33.59
CC1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847264	0	35	-1.0	-55.79	303.50	6.34	-49.45
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847265	0	36	-1.0	-47.57	321.82	5.37	-42.20
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847266	0	35	-1.0	-41.57	312.83	6.70	-34.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010847267	0	32	-1.0	-52.73	301.37	6.35	-46.38
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010847268	0	32	-1.0	-50.31	313.36	6.67	-43.64
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2)C=C1	REAL300010847269	0	47	-1.0	-52.74	404.69	8.14	-44.60
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847270	0	39	-1.0	-55.18	356.22	5.52	-49.66
CN(C1CCCCC1)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847271	0	43	-1.0	-42.26	344.10	6.43	-35.83
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=CC=C12	REAL300010847272	0	48	-1.0	-45.91	378.23	8.48	-37.43
N#CC1=CC=CC(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847273	0	36	-1.0	-42.79	329.16	7.07	-35.72
CC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1Cl	REAL300010847274	0	35	-1.0	-55.96	317.85	7.37	-48.59
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010847275	0	35	-1.0	-56.87	343.04	7.74	-49.13
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=CC=C12	REAL300010847276	0	42	-1.0	-46.22	338.46	6.93	-39.29
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(N)=O	REAL300010847277	0	39	-1.0	-44.28	336.70	3.45	-40.83
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(N)=O	REAL300010847278	0	40	-1.0	-47.09	347.91	3.37	-43.72
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847279	0	37	-1.0	-50.97	318.12	6.79	-44.18
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847280	0	39	-1.0	-62.50	339.03	4.73	-57.77
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847281	0	37	-1.0	-53.14	318.90	7.02	-46.12
CN1C=NC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1Cl	REAL300010847282	0	32	-1.0	-58.14	303.87	5.69	-52.45
CC1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847283	0	35	-1.0	-45.54	313.89	6.73	-38.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847284	0	38	-1.0	-46.50	357.58	7.15	-39.35
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010847285	0	31	-1.0	-54.07	303.47	4.73	-49.34
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847286	0	41	-1.0	-66.88	371.54	4.20	-62.68
CC(=O)NC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847287	0	39	-1.0	-62.10	348.07	5.01	-57.09
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C21	REAL300010847288	0	46	-1.0	-62.25	377.72	7.55	-54.70
CS(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847289	0	37	-1.0	-50.07	333.54	2.00	-48.07
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1C	REAL300010847290	0	42	-1.0	-53.35	339.42	6.35	-47.00
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010847291	0	32	-1.0	-41.05	295.40	6.12	-34.93
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C21	REAL300010847292	0	43	-1.0	-44.05	369.39	5.49	-38.56
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010847293	0	35	-1.0	-41.24	329.60	7.32	-33.92
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010847294	0	32	-1.0	-50.11	322.49	7.08	-43.03
CC(=O)NCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847295	0	45	-1.0	-62.73	390.20	5.79	-56.94
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847296	0	46	-1.0	-48.10	391.09	4.89	-43.21
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847297	0	40	-1.0	-54.91	344.18	8.23	-46.68
CC(C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847298	0	44	-1.0	-44.44	367.27	8.68	-35.76
COCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847299	0	42	-1.0	-53.86	363.08	6.51	-47.35
COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847300	0	44	-1.0	-41.36	361.93	3.51	-37.85
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847301	0	35	-1.0	-53.75	316.02	7.18	-46.57
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847302	0	48	-1.0	-52.87	398.42	8.33	-44.54
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010847303	0	46	-1.0	-45.36	380.17	8.19	-37.17
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847304	0	45	-1.0	-53.05	379.46	7.72	-45.33
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847305	0	42	-1.0	-53.02	359.35	7.02	-46.00
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847306	0	36	-1.0	-46.17	331.63	5.84	-40.33
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010847307	0	36	-1.0	-45.24	341.39	6.11	-39.13
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C	REAL300010847308	0	39	-1.0	-53.56	335.91	6.04	-47.52
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1OC(C)C	REAL300010847309	0	45	-1.0	-46.01	375.48	7.59	-38.42
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1	REAL300010847310	0	39	-1.0	-53.12	323.85	5.73	-47.39
COCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847311	0	43	-1.0	-55.78	371.48	5.49	-50.29
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC=C1F	REAL300010847312	0	35	-1.0	-58.78	311.32	6.44	-52.34
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847313	0	43	-1.0	-59.43	377.11	5.67	-53.76
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010847314	0	47	-1.0	-55.54	388.31	5.19	-50.35
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(Br)=C1	REAL300010847315	0	35	-1.0	-53.14	314.56	6.84	-46.30
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847316	0	38	-1.0	-49.94	347.90	3.50	-46.44
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847317	0	38	-1.0	-63.56	345.92	8.05	-55.51
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010847318	0	37	-1.0	-54.12	327.18	6.38	-47.74
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847319	0	36	-1.0	-56.84	314.12	6.35	-50.49
CC1=CC(C#N)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847320	0	36	-1.0	-51.49	315.12	6.82	-44.67
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847321	0	33	-1.0	-45.13	303.74	6.26	-38.87
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847322	0	36	-1.0	-56.79	341.41	7.38	-49.41
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1OC	REAL300010847323	0	42	-1.0	-49.56	368.18	6.70	-42.86
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C	REAL300010847324	0	41	-1.0	-44.73	356.93	7.20	-37.53
COC(=O)CCN(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847325	0	39	-1.0	-53.72	337.14	4.75	-48.97
CS(=O)(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	REAL300010847326	0	42	-1.0	-60.04	355.57	1.37	-58.67
CN(C1CCOCC1)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847327	0	41	-1.0	-41.96	331.96	4.00	-37.96
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010847328	0	41	-1.0	-60.61	350.87	5.76	-54.85
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=NN1C1=CC=CC=N1	REAL300010847329	0	41	-1.0	-57.20	347.02	6.89	-50.31
CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1C	REAL300010847330	0	41	-1.0	-44.35	341.06	5.77	-38.58
CC(C)N1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847331	0	38	-1.0	-44.22	331.10	5.08	-39.14
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847332	0	41	-1.0	-57.35	350.05	7.14	-50.21
CC(C)N1C=NC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847333	0	38	-1.0	-50.88	329.43	6.69	-44.19
CC(C)C1=NC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1	REAL300010847334	0	38	-1.0	-46.70	330.10	4.42	-42.28
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847335	0	44	-1.0	-44.54	333.01	8.39	-36.15
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010847336	0	45	-1.0	-50.49	373.32	8.18	-42.31
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847337	0	40	-1.0	-40.21	352.12	5.38	-34.83
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1Cl	REAL300010847338	0	39	-1.0	-57.73	359.74	5.46	-52.27
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010847339	0	39	-1.0	-58.35	352.35	7.31	-51.04
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1F	REAL300010847340	0	38	-1.0	-46.04	349.20	6.63	-39.41
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(Cl)=C1Cl	REAL300010847341	0	36	-1.0	-54.72	337.03	6.10	-48.62
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010847342	0	42	-1.0	-54.68	367.62	7.59	-47.09
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(Br)O1	REAL300010847343	0	35	-1.0	-39.09	335.97	4.97	-34.12
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C(Br)S1	REAL300010847344	0	32	-1.0	-50.12	311.04	6.25	-43.87
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1	REAL300010847345	0	36	-1.0	-55.10	330.36	4.37	-50.73
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847346	0	33	-1.0	-41.60	322.32	6.80	-34.80
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1C	REAL300010847347	0	40	-1.0	-60.41	320.68	8.31	-52.10
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847348	0	38	-1.0	-44.56	341.99	6.64	-37.92
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847349	0	41	-1.0	-61.07	356.91	4.04	-57.03
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C(F)(F)F)=C1	REAL300010847350	0	36	-1.0	-38.74	326.94	7.36	-31.38
N#CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1Cl	REAL300010847351	0	33	-1.0	-42.84	322.33	6.79	-36.05
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847352	0	48	-1.0	-43.50	397.28	7.71	-35.79
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010847353	0	43	-1.0	-48.10	374.13	5.96	-42.14
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010847354	0	44	-1.0	-55.46	395.52	3.85	-51.61
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847355	0	40	-1.0	-55.99	363.13	2.17	-53.82
CC(=O)NCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847356	0	42	-1.0	-63.37	378.32	4.62	-58.75
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)O1	REAL300010847357	0	35	-1.0	-52.27	326.92	4.83	-47.44
COC(=O)C1=C(C)OC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847358	0	38	-1.0	-51.49	346.88	5.56	-45.93
CC1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847359	0	34	-1.0	-51.99	307.75	4.45	-47.54
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010847360	0	34	-1.0	-53.32	305.19	7.27	-46.05
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010847361	0	35	-1.0	-40.03	341.77	7.70	-32.33
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(C)N1	REAL300010847362	0	45	-1.0	-57.70	374.21	6.26	-51.44
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010847363	0	32	-1.0	-57.36	297.61	6.65	-50.71
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)S2)=CS1	REAL300010847364	0	38	-1.0	-46.32	365.91	6.56	-39.76
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010847365	0	52	-1.0	-53.29	416.78	9.30	-43.99
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010847366	0	42	-1.0	-57.71	383.63	5.58	-52.13
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(I)=C1	REAL300010847367	0	32	-1.0	-51.40	314.15	7.09	-44.31
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847368	0	41	-1.0	-58.31	354.02	7.33	-50.98
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010847369	0	34	-1.0	-62.66	321.18	8.16	-54.50
COC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1OC	REAL300010847370	0	40	-1.0	-54.08	340.85	4.90	-49.18
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1OC	REAL300010847371	0	43	-1.0	-55.92	357.96	5.87	-50.05
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010847372	0	34	-1.0	-46.04	326.31	8.17	-37.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010847373	0	35	-1.0	-54.81	325.90	6.89	-47.92
N#CC1=CC(F)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847374	0	33	-1.0	-45.84	295.40	5.84	-40.00
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847375	0	33	-1.0	-45.85	305.73	6.29	-39.56
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Br	REAL300010847376	0	35	-1.0	-41.83	325.61	7.19	-34.64
CC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847377	0	35	-1.0	-41.65	300.53	6.51	-35.14
COC(=O)CN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847378	0	38	-1.0	-58.36	345.80	4.76	-53.60
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010847379	0	38	-1.0	-41.76	324.55	8.00	-33.76
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010847380	0	37	-1.0	-53.21	337.33	7.68	-45.53
CC1=C(Br)SC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847381	0	32	-1.0	-51.76	315.43	6.02	-45.74
N#CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847382	0	36	-1.0	-47.68	328.32	7.17	-40.51
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC(F)=C1F	REAL300010847383	0	38	-1.0	-41.11	351.67	6.73	-34.38
O=C([O-])CN(CC1CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010847384	0	50	-1.0	-53.26	373.15	7.64	-45.62
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=CC=C2C=C1	REAL300010847385	0	40	-1.0	-53.87	341.21	7.60	-46.27
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010847386	0	43	-1.0	-44.02	363.47	4.52	-39.50
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1Br	REAL300010847387	0	35	-1.0	-43.93	312.88	6.94	-36.99
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847388	0	38	-1.0	-64.32	344.29	6.91	-57.41
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010847389	0	40	-1.0	-54.76	340.25	3.45	-51.31
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1[N+](=O)[O-]	REAL300010847390	0	38	-1.0	-50.03	341.87	6.75	-43.28
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847391	0	38	-1.0	-53.75	338.04	7.68	-46.07
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847392	0	39	-1.0	-46.92	346.21	3.62	-43.30
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=CC=C12	REAL300010847393	0	45	-1.0	-59.03	376.27	8.64	-50.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847394	0	42	-1.0	-59.45	354.17	7.47	-51.98
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010847395	0	37	-1.0	-47.98	334.40	6.17	-41.81
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010847396	0	39	-1.0	-46.77	346.88	7.10	-39.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010847397	0	34	-1.0	-37.62	330.51	7.13	-30.49
N#CC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847398	0	33	-1.0	-52.81	295.01	5.82	-46.99
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847399	0	46	-1.0	-55.74	393.34	6.46	-49.28
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847400	0	48	-1.0	-52.91	402.35	8.58	-44.33
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010847401	0	34	-1.0	-52.54	309.53	7.67	-44.87
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847402	0	38	-1.0	-52.94	345.67	6.69	-46.25
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(Cl)C=C1Cl	REAL300010847403	0	38	-1.0	-40.37	358.75	7.29	-33.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847404	0	42	-1.0	-60.75	364.55	6.57	-54.18
COC(=O)C1=CSC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847405	0	35	-1.0	-48.73	334.69	5.68	-43.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847406	0	44	-1.0	-57.73	372.85	7.95	-49.78
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C	REAL300010847407	0	41	-1.0	-42.92	356.95	7.18	-35.74
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847408	0	38	-1.0	-59.23	336.82	6.33	-52.90
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010847409	0	42	-1.0	-57.51	341.55	8.58	-48.93
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010847410	0	38	-1.0	-60.22	330.64	7.49	-52.73
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010847411	0	31	-1.0	-48.96	302.73	4.81	-44.15
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010847412	0	36	-1.0	-50.02	342.89	7.46	-42.56
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010847413	0	32	-1.0	-50.33	313.36	6.67	-43.66
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010847414	0	39	-1.0	-56.12	350.70	3.87	-52.25
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847415	0	35	-1.0	-41.62	312.78	7.00	-34.62
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1Br	REAL300010847416	0	36	-1.0	-42.74	336.02	5.96	-36.78
CC1(C)CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C2O1	REAL300010847417	0	43	-1.0	-53.62	363.83	7.26	-46.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847418	0	40	-1.0	-55.64	365.30	2.78	-52.86
CCC(=O)NCC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1OC	REAL300010847419	0	49	-1.0	-52.20	417.02	5.16	-47.04
COC1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847420	0	36	-1.0	-44.81	318.48	5.35	-39.46
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847421	0	41	-1.0	-61.74	368.52	4.42	-57.32
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010847422	0	34	-1.0	-41.91	334.32	5.90	-36.01
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847423	0	37	-1.0	-48.64	328.48	6.40	-42.24
N#CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847424	0	33	-1.0	-40.40	328.19	6.98	-33.42
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Br	REAL300010847425	0	39	-1.0	-45.93	357.87	6.88	-39.05
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010847426	0	37	-1.0	-51.85	337.07	1.46	-50.39
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2S1	REAL300010847427	0	46	-1.0	-52.35	399.56	7.96	-44.39
COC(=O)CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	REAL300010847428	0	41	-1.0	-58.03	350.78	6.45	-51.58
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847429	0	37	-1.0	-42.78	337.47	5.90	-36.88
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010847430	0	37	-1.0	-43.48	322.05	5.29	-38.19
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010847431	0	40	-1.0	-52.34	348.19	7.23	-45.11
O=C([O-])CN(CC1CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010847432	0	38	-1.0	-62.06	323.17	2.16	-59.90
CN1C(=O)N(C)C2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C21	REAL300010847433	0	42	-1.0	-47.99	365.86	6.92	-41.07
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010847434	0	37	-1.0	-48.97	334.34	6.16	-42.81
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CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847490	0	43	-1.0	-46.58	381.64	3.99	-42.59
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CC1CC(C)CN(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C1	REAL300010847495	0	43	-1.0	-52.84	333.69	5.85	-46.99
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O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010847501	0	38	-1.0	-55.99	328.15	7.97	-48.02
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847502	0	39	-1.0	-50.50	342.40	4.87	-45.63
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847503	0	37	-1.0	-54.99	327.53	7.33	-47.66
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010847504	0	34	-1.0	-70.65	304.52	7.64	-63.01
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847505	0	39	-1.0	-56.63	354.05	7.43	-49.20
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847506	0	39	-1.0	-43.98	337.42	6.22	-37.76
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010847507	0	32	-1.0	-45.26	289.39	5.93	-39.33
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CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1	REAL300010847510	0	41	-1.0	-44.57	326.26	7.90	-36.67
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847511	0	47	-1.0	-56.04	375.53	9.02	-47.02
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010847512	0	32	-1.0	-50.29	318.27	6.98	-43.31
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010847513	0	32	-1.0	-50.77	299.06	6.12	-44.65
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010847514	0	32	-1.0	-41.80	303.92	6.50	-35.30
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O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010847516	0	35	-1.0	-60.38	309.11	7.01	-53.37
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CC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847522	0	37	-1.0	-47.68	326.62	6.38	-41.30
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2)=CO1	REAL300010847523	0	41	-1.0	-57.12	358.59	4.75	-52.37
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010847524	0	31	-1.0	-39.76	313.19	5.07	-34.69
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COC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847526	0	36	-1.0	-45.45	316.69	5.28	-40.17
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CC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C21	REAL300010847531	0	43	-1.0	-65.21	365.16	7.04	-58.17
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CC1=CC=C(C#N)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847533	0	36	-1.0	-55.62	320.06	7.05	-48.57
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(=O)N(C)C	REAL300010847534	0	46	-1.0	-58.25	390.70	5.50	-52.75
CC1CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC(Cl)=C2O1	REAL300010847535	0	40	-1.0	-51.00	360.17	7.11	-43.89
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1[N+](=O)[O-]	REAL300010847536	0	37	-1.0	-40.19	330.33	7.18	-33.01
COC(=O)C1=COC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847537	0	35	-1.0	-53.35	327.27	4.78	-48.57
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847538	0	43	-1.0	-58.01	375.12	6.79	-51.22
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CC(=O)N(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847540	0	42	-1.0	-59.37	354.13	6.24	-53.13
COC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)SC=C1	REAL300010847541	0	33	-1.0	-46.60	302.18	4.56	-42.04
CC(=O)NC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C	REAL300010847542	0	42	-1.0	-65.10	359.38	5.71	-59.39
CN1CCCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C21	REAL300010847543	0	44	-1.0	-47.81	360.35	6.55	-41.26
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN=C1Cl	REAL300010847544	0	34	-1.0	-44.29	316.73	5.21	-39.08
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010847545	0	38	-1.0	-55.58	337.74	5.05	-50.53
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847546	0	41	-1.0	-54.83	355.20	7.34	-47.49
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1C#N	REAL300010847547	0	36	-1.0	-64.10	316.29	6.59	-57.51
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC(OC)=C1	REAL300010847548	0	40	-1.0	-56.34	341.20	4.29	-52.05
CN1C=NC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C21	REAL300010847549	0	38	-1.0	-56.82	334.29	7.33	-49.49
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1CC	REAL300010847550	0	44	-1.0	-45.55	363.17	8.56	-36.99
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847551	0	40	-1.0	-40.05	332.70	7.84	-32.21
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(C)O1	REAL300010847552	0	38	-1.0	-51.21	341.01	5.39	-45.82
NC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847553	0	33	-1.0	-38.23	294.71	3.73	-34.50
COC(=O)C1=NSC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847554	0	34	-1.0	-62.93	321.65	4.71	-58.22
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC(C)=C1F	REAL300010847555	0	38	-1.0	-50.74	333.38	7.34	-43.40
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010847556	0	40	-1.0	-66.76	345.94	4.47	-62.29
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1C	REAL300010847557	0	39	-1.0	-55.87	348.55	6.14	-49.73
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010847558	0	32	-1.0	-39.46	309.21	6.57	-32.89
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010847559	0	31	-1.0	-49.02	298.16	4.70	-44.32
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847560	0	43	-1.0	-55.42	368.95	7.84	-47.58
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010847561	0	35	-1.0	-57.32	333.72	7.33	-49.99
CN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(N)=O	REAL300010847562	0	37	-1.0	-55.58	329.63	2.20	-53.38
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847563	0	35	-1.0	-50.15	311.11	6.95	-43.20
CCOC(=O)C1CCCN1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847564	0	43	-1.0	-46.42	361.87	6.72	-39.70
CNC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1C	REAL300010847565	0	40	-1.0	-55.59	351.57	3.69	-51.90
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1	REAL300010847566	0	42	-1.0	-45.12	334.66	6.58	-38.54
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010847567	0	40	-1.0	-45.83	347.02	5.16	-40.67
COC(=O)C1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847568	0	41	-1.0	-43.08	363.11	7.35	-35.73
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010847569	0	43	-1.0	-55.45	361.87	6.14	-49.31
COC(=O)C1=CC=CC(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847570	0	41	-1.0	-50.69	363.12	7.35	-43.34
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)O1	REAL300010847571	0	38	-1.0	-52.23	348.79	5.76	-46.47
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010847572	0	43	-1.0	-54.74	370.59	10.12	-44.62
COC(=O)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847573	0	42	-1.0	-59.07	372.36	6.92	-52.15
COC(=O)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847574	0	45	-1.0	-55.84	393.32	7.07	-48.77
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C	REAL300010847575	0	42	-1.0	-55.49	348.81	6.71	-48.78
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010847576	0	36	-1.0	-62.91	324.86	6.38	-56.53
CCOC(=O)CCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847577	0	40	-1.0	-43.25	347.23	6.18	-37.07
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010847578	0	35	-1.0	-59.02	312.21	7.46	-51.56
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010847579	0	34	-1.0	-62.32	325.75	8.26	-54.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847580	0	37	-1.0	-60.66	303.92	7.79	-52.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010847581	0	34	-1.0	-41.04	317.43	6.72	-34.32
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Br)C=CS1	REAL300010847582	0	29	-1.0	-54.88	295.00	5.47	-49.41
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010847583	0	36	-1.0	-52.47	318.69	6.19	-46.28
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=CN=C2C=C1	REAL300010847584	0	40	-1.0	-47.48	326.08	6.95	-40.53
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010847585	0	34	-1.0	-58.91	320.96	5.34	-53.57
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010847586	0	40	-1.0	-55.33	341.93	4.87	-50.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010847587	0	37	-1.0	-49.02	309.05	6.03	-42.99
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010847588	0	31	-1.0	-42.68	304.35	4.75	-37.93
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010847589	0	34	-1.0	-44.45	311.21	6.53	-37.92
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010847590	0	34	-1.0	-47.13	330.76	7.12	-40.01
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847591	0	41	-1.0	-53.73	364.81	4.61	-49.12
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C([N+](=O)[O-])=N1	REAL300010847592	0	37	-1.0	-59.52	326.19	6.40	-53.12
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010847593	0	34	-1.0	-57.29	304.66	6.89	-50.40
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010847594	0	34	-1.0	-37.63	320.69	6.73	-30.90
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010847595	0	39	-1.0	-55.13	357.43	6.69	-48.44
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010847596	0	34	-1.0	-63.19	323.82	8.19	-55.00
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010847597	0	46	-1.0	-45.07	397.32	9.28	-35.79
CC1(C)C2CCC1(CS(=O)(=O)N(CC(=O)[O-])CC1CC1)C(=O)C2	REAL300010847598	0	47	-1.0	-49.83	361.44	8.40	-41.43
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847599	0	40	-1.0	-49.27	359.84	2.49	-46.78
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847600	0	40	-1.0	-59.65	349.42	7.27	-52.38
CCOC(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	REAL300010847601	0	45	-1.0	-55.40	370.47	4.54	-50.86
COC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300010847602	0	41	-1.0	-57.63	359.06	7.06	-50.57
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010847603	0	42	-1.0	-44.11	372.31	7.56	-36.55
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847604	0	54	-1.0	-42.32	424.25	8.96	-33.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847605	0	40	-1.0	-49.01	359.61	2.69	-46.32
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010847606	0	35	-1.0	-44.55	314.71	6.76	-37.79
CS(=O)(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847607	0	38	-1.0	-48.77	351.19	3.54	-45.23
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(F)C=C1F	REAL300010847608	0	35	-1.0	-52.57	314.38	6.64	-45.93
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847609	0	39	-1.0	-41.88	344.02	7.53	-34.35
CC(C)N1N=CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C21	REAL300010847610	0	44	-1.0	-54.33	377.07	7.54	-46.79
CC1=CN(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2F)N=C1	REAL300010847611	0	42	-1.0	-45.11	370.72	8.04	-37.07
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847612	0	39	-1.0	-56.41	361.23	5.05	-51.36
CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847613	0	39	-1.0	-49.89	348.41	0.72	-49.17
CC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847614	0	35	-1.0	-53.34	308.87	6.40	-46.94
CC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847615	0	37	-1.0	-52.43	339.91	7.58	-44.85
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)OC2=CC=C(F)C=C12	REAL300010847616	0	38	-1.0	-51.60	340.19	7.14	-44.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010847617	0	29	-1.0	-49.12	308.49	6.08	-43.04
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010847618	0	44	-1.0	-56.42	374.39	7.75	-48.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010847619	0	32	-1.0	-58.27	293.97	5.99	-52.28
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010847620	0	32	-1.0	-53.27	303.39	6.30	-46.97
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(F)(F)F	REAL300010847621	0	38	-1.0	-40.90	340.54	7.52	-33.38
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010847622	0	38	-1.0	-53.78	360.62	6.75	-47.03
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C12	REAL300010847623	0	40	-1.0	-52.89	352.74	5.73	-47.16
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847624	0	39	-1.0	-58.56	356.02	6.65	-51.91
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010847625	0	35	-1.0	-59.20	332.63	7.06	-52.14
CC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C12	REAL300010847626	0	36	-1.0	-52.59	326.16	2.98	-49.61
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010847627	0	41	-1.0	-56.08	368.06	8.84	-47.24
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010847628	0	34	-1.0	-58.91	320.96	5.34	-53.57
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010847629	0	34	-1.0	-38.99	317.21	6.73	-32.26
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847630	0	38	-1.0	-63.69	335.59	7.60	-56.09
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010847631	0	35	-1.0	-57.19	319.57	6.85	-50.34
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010847632	0	44	-1.0	-62.65	382.71	4.51	-58.14
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010847633	0	39	-1.0	-41.50	354.30	6.49	-35.01
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010847634	0	32	-1.0	-41.68	308.48	6.60	-35.08
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CN=C21	REAL300010847635	0	40	-1.0	-49.60	356.07	3.42	-46.18
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847636	0	41	-1.0	-52.82	367.53	7.61	-45.21
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010847637	0	40	-1.0	-48.45	342.38	6.44	-42.01
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010847638	0	35	-1.0	-51.95	342.90	7.98	-43.97
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC(Cl)=CC=C2S1	REAL300010847639	0	38	-1.0	-52.22	349.04	8.71	-43.51
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010847640	0	35	-1.0	-44.39	327.23	7.46	-36.93
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010847641	0	38	-1.0	-49.14	333.47	8.86	-40.28
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010847642	0	38	-1.0	-46.08	322.70	7.97	-38.11
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C2O1	REAL300010847643	0	46	-1.0	-56.09	399.85	8.24	-47.85
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847644	0	38	-1.0	-56.61	351.45	3.54	-53.07
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COC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847680	0	39	-1.0	-45.14	325.74	6.99	-38.15
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CN1C(=O)CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C21	REAL300010847683	0	40	-1.0	-55.33	349.19	6.43	-48.90
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CC1=C(Br)SC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=N1	REAL300010847700	0	31	-1.0	-52.18	306.17	3.85	-48.33
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847701	0	37	-1.0	-51.57	332.02	7.36	-44.21
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CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N(CC(=O)[O-])CC4CC4)C=CC1=C23	REAL300010847711	0	43	-1.0	-45.50	355.35	7.30	-38.20
N#CC1=CC=C(F)C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847712	0	36	-1.0	-60.79	332.18	6.82	-53.97
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC([N+](=O)[O-])=C1F	REAL300010847713	0	37	-1.0	-37.95	339.12	7.32	-30.63
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847714	0	38	-1.0	-64.13	335.84	7.60	-56.53
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010847715	0	46	-1.0	-46.88	392.00	7.20	-39.68
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CC1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847717	0	35	-1.0	-45.61	310.41	6.72	-38.89
CC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847718	0	35	-1.0	-46.31	308.59	6.64	-39.67
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CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847720	0	43	-1.0	-54.53	386.77	3.67	-50.86
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COC(=O)C1=NC=CC2=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=CC=C21	REAL300010847722	0	43	-1.0	-45.04	359.57	6.50	-38.54
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010847723	0	35	-1.0	-56.56	339.47	7.48	-49.08
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847724	0	40	-1.0	-74.56	363.43	4.24	-70.32
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CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)N=C1C	REAL300010847726	0	38	-1.0	-59.30	333.12	5.84	-53.46
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847727	0	37	-1.0	-44.67	336.85	4.81	-39.86
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CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847730	0	42	-1.0	-45.15	355.33	6.83	-38.32
CC1=C(C)SC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847731	0	35	-1.0	-54.40	320.34	6.43	-47.97
COCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847732	0	39	-1.0	-54.57	341.58	5.73	-48.84
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847733	0	41	-1.0	-59.23	372.57	5.08	-54.15
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CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1Cl	REAL300010847735	0	35	-1.0	-44.07	310.45	6.85	-37.22
CC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1Br	REAL300010847736	0	37	-1.0	-40.99	343.65	7.03	-33.96
CN1C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(=O)NCC(F)(F)F	REAL300010847737	0	43	-1.0	-54.52	392.38	4.99	-49.53
COC(=O)C1(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2)CC1	REAL300010847738	0	45	-1.0	-55.27	384.73	8.63	-46.64
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CC1(C)CN(S(=O)(=O)N(CC(=O)[O-])CC2CC2)CCO1	REAL300010847741	0	41	-1.0	-52.26	331.87	4.18	-48.08
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CC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=NC=CC=C2C=C1	REAL300010847743	0	40	-1.0	-62.45	334.61	7.51	-54.94
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010847744	0	38	-1.0	-64.64	334.66	8.05	-56.59
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C2=CC=CC=C12	REAL300010847745	0	45	-1.0	-49.71	362.49	6.61	-43.10
O=C([O-])CN(CC1CC1)S(=O)(=O)CCCN1CCOCC1	REAL300010847746	0	44	-1.0	-42.23	358.23	2.95	-39.28
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CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847748	0	41	-1.0	-45.98	369.11	7.63	-38.35
COCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847749	0	39	-1.0	-45.11	326.32	5.88	-39.23
CCC1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C(C(=O)OC)O1	REAL300010847750	0	41	-1.0	-48.94	358.15	6.14	-42.80
O=C([O-])CN(CC1CC1)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010847751	0	49	-1.0	-60.05	390.87	7.36	-52.69
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847752	0	45	-1.0	-51.82	393.35	7.68	-44.14
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(Cl)=C1	REAL300010847753	0	33	-1.0	-43.00	307.62	6.36	-36.64
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847754	0	36	-1.0	-38.13	331.51	7.01	-31.12
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010847755	0	39	-1.0	-59.57	333.33	6.08	-53.49
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010847756	0	37	-1.0	-59.72	332.60	6.04	-53.68
O=C([O-])CN(CC1CC1)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010847757	0	52	-1.0	-56.12	401.94	7.34	-48.78
O=C([O-])CN(CC1CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010847758	0	46	-1.0	-44.27	377.75	6.22	-38.05
O=C([O-])CN(CC1CC1)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010847759	0	43	-1.0	-45.28	382.97	6.72	-38.56
CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1F	REAL300010847760	0	35	-1.0	-45.91	307.29	6.54	-39.37
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847761	0	38	-1.0	-42.24	335.15	3.61	-38.63
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010847762	0	34	-1.0	-43.20	320.83	5.22	-37.98
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)SC=N1	REAL300010847763	0	34	-1.0	-45.72	316.14	4.15	-41.57
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847764	0	38	-1.0	-46.10	347.25	6.71	-39.39
CC(CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010849001	0	31	-1.0	-51.66	311.67	-0.43	-52.09
CC(CNS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010849002	0	47	-1.0	-54.70	408.28	3.86	-50.84
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849003	0	38	-1.0	-46.36	323.91	3.74	-42.62
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849004	0	42	-1.0	-54.64	388.76	0.51	-54.13
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010849005	0	37	-1.0	-56.83	342.34	2.80	-54.03
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300010849006	0	38	-1.0	-50.76	343.89	3.46	-47.30
CC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300010849007	0	33	-1.0	-46.25	311.02	3.92	-42.33
CC(CNS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010849008	0	39	-1.0	-49.43	358.96	1.85	-47.58
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300010849009	0	41	-1.0	-49.97	352.08	5.50	-44.47
CC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010849010	0	32	-1.0	-47.21	312.53	4.32	-42.89
CC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010849011	0	37	-1.0	-54.16	321.37	6.65	-47.51
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010849012	0	36	-1.0	-53.74	302.66	4.43	-49.31
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010849013	0	34	-1.0	-46.83	278.69	3.84	-42.99
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010849014	0	41	-1.0	-59.27	346.43	4.28	-54.99
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010849015	0	34	-1.0	-45.77	322.35	0.95	-44.82
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849016	0	37	-1.0	-45.87	336.81	4.52	-41.35
CCC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010849017	0	37	-1.0	-50.87	333.45	3.23	-47.64
CC(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010849018	0	45	-1.0	-55.25	369.08	4.77	-50.48
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849019	0	41	-1.0	-47.78	364.78	4.48	-43.30
CC(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010849020	0	29	-1.0	-46.91	276.17	3.32	-43.59
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849021	0	32	-1.0	-44.20	301.79	3.41	-40.79
CC(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010849022	0	48	-1.0	-54.63	378.73	4.62	-50.01
CC(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010849023	0	45	-1.0	-54.79	383.07	5.15	-49.64
CC(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010849024	0	42	-1.0	-52.44	347.65	3.17	-49.27
CC(CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010849025	0	39	-1.0	-50.53	353.63	3.66	-46.87
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010849026	0	30	-1.0	-46.95	288.46	2.11	-44.84
COC(=O)C1=C(S(=O)(=O)NCC(C)C(=O)[O-])SC=N1	REAL300010849027	1	30	-1.0	-50.36	286.72	1.10	-49.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849028	0	34	-1.0	-49.08	315.82	3.61	-45.47
CC(C)C(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010850001	0	36	-1.0	-50.98	319.83	3.55	-47.43
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850002	0	44	-1.0	-57.91	359.79	4.29	-53.62
COC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)SC=C1	REAL300010850003	0	35	-1.0	-61.48	311.02	2.19	-59.29
CC(=O)NC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C	REAL300010850004	0	44	-1.0	-55.60	358.49	3.80	-51.80
CC(C)C(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010850005	0	46	-1.0	-50.01	359.93	4.59	-45.42
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010850006	0	36	-1.0	-48.31	318.50	3.28	-45.03
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010850007	0	40	-1.0	-48.60	337.31	3.10	-45.50
CC(C)C(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010850008	0	43	-1.0	-51.91	360.84	5.70	-46.21
CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C#N	REAL300010850009	0	38	-1.0	-63.02	317.70	4.33	-58.69
COC1=CC(OC)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850010	0	42	-1.0	-49.36	344.90	2.66	-46.70
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010850011	0	40	-1.0	-58.33	336.12	5.40	-52.93
CCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1CC	REAL300010850012	0	46	-1.0	-49.20	369.47	6.63	-42.57
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850013	0	42	-1.0	-45.98	338.77	6.07	-39.91
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C)O1	REAL300010850014	0	40	-1.0	-42.96	344.27	3.53	-39.43
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010850015	0	35	-1.0	-44.58	314.62	1.95	-42.63
COC(=O)C1=NSC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850016	0	36	-1.0	-55.98	320.25	2.91	-53.07
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300010850017	0	40	-1.0	-44.77	332.94	5.39	-39.38
CC(C)C(CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010850018	0	42	-1.0	-60.23	351.99	2.53	-57.70
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1C	REAL300010850019	0	41	-1.0	-54.81	347.10	4.15	-50.66
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010850020	0	34	-1.0	-47.69	310.99	4.64	-43.05
CC(C)C(CNS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010850021	0	33	-1.0	-47.86	299.59	2.75	-45.11
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850022	0	45	-1.0	-50.99	374.86	5.90	-45.09
CC(C)C(CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010850023	0	37	-1.0	-47.08	338.76	5.35	-41.73
CC(C)C(CNS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010850024	0	39	-1.0	-49.62	326.31	0.16	-49.46
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850025	0	37	-1.0	-49.50	319.28	5.47	-44.03
CCOC(=O)C1CCCN1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850026	0	45	-1.0	-53.45	356.16	4.63	-48.82
CNC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1C	REAL300010850027	0	42	-1.0	-52.06	356.30	1.72	-50.34
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010850028	0	44	-1.0	-53.59	348.57	4.86	-48.73
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010850029	0	42	-1.0	-59.01	354.46	3.31	-55.70
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850030	0	43	-1.0	-58.52	366.41	5.44	-53.08
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010850031	0	45	-1.0	-54.09	363.36	4.19	-49.90
COC(=O)C1=CC=CC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850032	0	43	-1.0	-62.10	366.43	5.43	-56.67
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)O1	REAL300010850033	0	40	-1.0	-44.74	347.33	3.76	-40.98
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010850034	0	45	-1.0	-52.84	372.06	8.18	-44.66
COC(=O)COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850035	0	44	-1.0	-50.29	371.51	4.96	-45.33
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850036	0	47	-1.0	-50.16	392.47	5.11	-45.05
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850037	0	44	-1.0	-54.65	358.11	4.91	-49.74
CC(C)C(CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010850038	0	38	-1.0	-61.31	331.37	4.44	-56.87
CCOC(=O)CCCS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850039	0	42	-1.0	-49.63	348.59	4.26	-45.37
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850040	0	37	-1.0	-58.60	330.72	6.21	-52.39
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850041	0	36	-1.0	-55.96	331.21	6.19	-49.77
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850042	0	39	-1.0	-61.04	326.06	6.41	-54.63
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010850043	0	36	-1.0	-42.63	329.04	5.43	-37.20
CC(C)C(CNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010850044	0	31	-1.0	-44.05	294.07	3.46	-40.59
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010850045	0	38	-1.0	-49.75	330.21	4.44	-45.31
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300010850046	0	42	-1.0	-52.07	333.79	5.24	-46.83
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010850047	0	36	-1.0	-57.34	323.32	3.41	-53.93
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010850048	0	42	-1.0	-50.43	350.46	3.02	-47.41
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010850049	0	39	-1.0	-54.92	328.70	4.63	-50.29
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010850050	0	33	-1.0	-45.02	310.61	2.85	-42.17
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010850051	0	36	-1.0	-43.16	312.40	4.49	-38.67
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010850052	0	36	-1.0	-44.71	330.32	5.18	-39.53
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850053	0	43	-1.0	-61.16	371.69	2.54	-58.62
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010850054	0	39	-1.0	-59.29	343.02	4.96	-54.33
CC(C)C(CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850055	0	36	-1.0	-58.86	321.03	5.43	-53.43
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850056	0	36	-1.0	-47.54	322.47	4.80	-42.74
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010850057	0	41	-1.0	-49.77	363.32	4.76	-45.01
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850058	0	36	-1.0	-55.82	326.66	6.16	-49.66
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010850059	0	48	-1.0	-49.79	403.66	7.35	-42.44
CC(C)C(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010850060	0	49	-1.0	-66.44	372.21	6.42	-60.02
CC(C)C(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010850061	0	42	-1.0	-53.45	355.95	0.48	-52.97
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850062	0	42	-1.0	-57.94	355.49	5.34	-52.60
CCOC(=O)N1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850063	0	47	-1.0	-52.83	373.44	2.80	-50.03
COC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300010850064	0	43	-1.0	-57.27	372.07	5.30	-51.97
CC(C)C(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010850065	0	44	-1.0	-53.22	373.82	5.61	-47.61
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850066	0	56	-1.0	-54.03	421.21	6.88	-47.15
CC(C)C(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010850067	0	42	-1.0	-54.31	362.88	0.67	-53.64
CC(C)C(CNS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010850068	0	37	-1.0	-57.25	318.02	4.84	-52.41
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010850069	0	40	-1.0	-49.01	351.03	1.58	-47.43
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(F)C=C1F	REAL300010850070	0	37	-1.0	-52.94	317.98	4.53	-48.41
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850071	0	41	-1.0	-55.26	347.82	5.07	-50.19
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010850072	0	46	-1.0	-55.56	383.73	5.60	-49.96
CC1=CN(C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2F)N=C1	REAL300010850073	0	44	-1.0	-51.25	377.02	6.11	-45.14
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850074	0	41	-1.0	-46.68	359.44	2.98	-43.70
CCS(=O)(=O)NCCS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850075	0	41	-1.0	-55.73	356.25	-1.19	-56.92
CC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850076	0	37	-1.0	-52.02	312.82	4.51	-47.51
CC1=CC(Cl)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850077	0	39	-1.0	-54.05	338.95	5.31	-48.74
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300010850078	0	40	-1.0	-47.70	346.17	5.34	-42.36
CC(C)C(CNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010850079	0	31	-1.0	-47.53	304.97	3.88	-43.65
CC(C)C(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010850080	0	46	-1.0	-56.77	386.73	6.06	-50.71
CC(C)C(CNS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010850081	0	34	-1.0	-54.76	292.41	3.87	-50.89
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010850082	0	34	-1.0	-54.75	312.57	4.46	-50.29
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010850083	0	40	-1.0	-44.31	340.35	5.57	-38.74
CC(C)C(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010850084	0	40	-1.0	-56.28	365.83	4.81	-51.47
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C12	REAL300010850085	0	42	-1.0	-50.78	354.16	3.78	-47.00
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850086	0	41	-1.0	-50.39	361.06	4.67	-45.72
CC(C)C(CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010850087	0	37	-1.0	-45.11	336.01	5.41	-39.70
CC1=NOC2=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C12	REAL300010850088	0	38	-1.0	-50.26	327.60	1.04	-49.22
CC(C)C(CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010850089	0	43	-1.0	-49.64	373.95	6.92	-42.72
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010850090	0	36	-1.0	-57.34	323.32	3.41	-53.93
CC(C)C(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010850091	0	36	-1.0	-51.94	332.56	5.47	-46.47
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850092	0	40	-1.0	-60.60	343.61	5.64	-54.96
CC(C)C(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010850093	0	37	-1.0	-48.94	322.98	5.18	-43.76
CC(C)C(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010850094	0	46	-1.0	-58.03	382.24	2.54	-55.49
CC(C)C(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010850095	0	41	-1.0	-58.86	362.77	4.57	-54.29
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010850096	0	34	-1.0	-50.86	310.80	4.73	-46.13
CC(C)C(CNS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010850097	0	42	-1.0	-52.71	362.36	1.56	-51.15
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010850098	0	43	-1.0	-45.60	367.13	5.65	-39.95
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010850099	0	42	-1.0	-56.76	349.67	4.70	-52.06
CC(C)C(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010850100	0	37	-1.0	-52.91	348.64	6.00	-46.91
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300010850101	0	40	-1.0	-54.08	356.85	6.81	-47.27
CC(C)C(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010850102	0	37	-1.0	-46.32	328.66	5.44	-40.88
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010850103	0	40	-1.0	-56.01	334.50	6.88	-49.13
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010850104	0	40	-1.0	-55.37	350.14	6.94	-48.43
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C2O1	REAL300010850105	0	48	-1.0	-54.30	401.33	6.30	-48.00
CC(C)C(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010850106	0	40	-1.0	-51.39	357.51	1.63	-49.76
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010850107	0	47	-1.0	-54.86	399.83	5.64	-49.22
CC(C)C(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010850108	0	45	-1.0	-54.08	392.42	1.13	-52.95
CC(C)C(CNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010850109	1	35	-1.0	-47.40	321.69	4.75	-42.65
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1N(C)C	REAL300010850110	0	45	-1.0	-49.20	367.01	4.73	-44.47
CC(C)C(CNS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010850111	0	34	-1.0	-47.50	307.38	3.02	-44.48
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850112	0	39	-1.0	-51.48	343.25	6.00	-45.48
CC(C)C(CNS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010850113	0	34	-1.0	-59.13	313.18	2.90	-56.23
CC(C)C(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010850114	0	37	-1.0	-65.31	323.17	4.21	-61.10
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850115	0	40	-1.0	-50.48	345.87	6.03	-44.45
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850116	0	46	-1.0	-51.97	361.67	4.53	-47.44
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010850117	0	39	-1.0	-47.07	321.84	3.90	-43.17
CC(C)C(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010850118	0	40	-1.0	-59.78	353.10	1.60	-58.18
CCOC(=O)C1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850119	0	48	-1.0	-49.07	387.01	4.84	-44.23
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850120	0	42	-1.0	-63.99	346.58	5.85	-58.14
CC(C)C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010850121	0	37	-1.0	-67.35	316.04	3.26	-64.09
CCC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850122	0	44	-1.0	-55.33	369.04	3.78	-51.55
CC(C)C(CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010850123	0	37	-1.0	-49.51	338.21	5.32	-44.19
CC(C)C(CNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850124	0	35	-1.0	-62.02	307.93	4.76	-57.26
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850125	0	43	-1.0	-55.53	352.28	5.83	-49.70
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010850126	0	34	-1.0	-53.86	301.07	4.19	-49.67
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850127	0	53	-1.0	-65.77	423.23	7.21	-58.56
CC(C)C(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010850128	0	37	-1.0	-58.10	343.67	5.67	-52.43
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850129	0	41	-1.0	-54.91	355.95	3.33	-51.58
CC(C)C(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010850130	0	42	-1.0	-51.63	344.90	4.66	-46.97
COC1=CC(Cl)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850131	0	38	-1.0	-50.57	335.00	3.95	-46.62
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850132	0	46	-1.0	-49.51	380.33	3.08	-46.43
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CS1	REAL300010850133	0	37	-1.0	-51.15	333.21	3.71	-47.44
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850134	0	43	-1.0	-60.44	375.75	6.58	-53.86
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010850135	0	45	-1.0	-47.57	390.25	7.40	-40.17
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C	REAL300010850136	0	43	-1.0	-54.02	352.37	5.37	-48.65
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850137	0	36	-1.0	-47.26	337.36	5.35	-41.91
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850138	0	38	-1.0	-45.21	340.36	4.62	-40.59
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850139	0	46	-1.0	-51.77	367.02	4.66	-47.11
CC(C)C(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850140	0	36	-1.0	-52.41	320.63	4.74	-47.67
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2)=C1	REAL300010850141	0	48	-1.0	-49.28	402.52	7.58	-41.70
COC1=CC=C(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850142	0	41	-1.0	-57.18	329.78	4.55	-52.63
CC(C)C(CNS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010850143	0	38	-1.0	-60.61	337.61	5.19	-55.42
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010850144	0	37	-1.0	-53.87	319.60	1.56	-52.31
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010850145	0	42	-1.0	-50.10	355.69	4.54	-45.56
CC(C)C(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010850146	0	34	-1.0	-45.81	320.17	5.18	-40.63
COC(=O)C1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850147	0	45	-1.0	-54.83	363.25	3.79	-51.04
COC1=C(C)C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850148	0	44	-1.0	-49.04	365.98	4.97	-44.07
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300010850149	0	43	-1.0	-57.85	383.19	5.28	-52.57
COCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850150	0	41	-1.0	-50.02	347.47	3.79	-46.23
CC(C)C(CNS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010850151	0	34	-1.0	-50.13	324.46	4.17	-45.96
CC(C)C(CNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010850152	0	43	-1.0	-52.15	371.13	5.92	-46.23
CC(C)C(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010850153	0	40	-1.0	-56.87	359.43	4.74	-52.13
CC(C)C(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010850154	0	40	-1.0	-53.30	370.99	5.25	-48.05
CC(C)C(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010850155	0	37	-1.0	-56.92	331.95	2.25	-54.67
CC1=NC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2O1	REAL300010850156	0	39	-1.0	-52.26	331.49	1.72	-50.54
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850157	0	46	-1.0	-45.16	342.26	7.16	-38.00
CC1=CC(Br)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850159	0	34	-1.0	-44.40	315.89	4.25	-40.15
CC(C)C(CNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010850160	0	39	-1.0	-56.43	348.91	4.65	-51.78
CC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850161	0	43	-1.0	-49.61	354.58	5.98	-43.63
CC1=C(Br)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300010850162	1	33	-1.0	-45.97	314.28	2.27	-43.70
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850163	0	39	-1.0	-51.70	335.30	5.65	-46.05
CC(C)C(CNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010850164	0	38	-1.0	-47.36	338.69	2.92	-44.44
CC(C)C(CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850165	0	39	-1.0	-51.93	325.68	5.80	-46.13
CC(C)C(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850166	0	42	-1.0	-65.59	357.94	5.96	-59.63
CC(C)C(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010850167	0	42	-1.0	-51.18	365.88	6.24	-44.94
CC1=NN2C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300010850168	0	39	-1.0	-46.93	345.38	3.92	-43.01
CCCN1C=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850169	0	40	-1.0	-58.61	335.17	4.80	-53.81
CCCCCCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010850170	0	52	-1.0	-60.88	424.00	4.68	-56.20
CC(C)C(CNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010850172	0	37	-1.0	-61.25	327.40	4.86	-56.39
CC(C)C(CNS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010850173	0	45	-1.0	-52.33	378.24	5.99	-46.34
CC(C)C(CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010850174	0	38	-1.0	-49.61	335.55	5.17	-44.44
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300010850175	0	39	-1.0	-48.25	338.98	5.35	-42.90
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850176	0	40	-1.0	-53.71	342.81	5.66	-48.05
CC(C)C(CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010850177	0	48	-1.0	-47.35	389.75	5.23	-42.12
CC(C)C(CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010850178	0	37	-1.0	-68.53	325.08	3.91	-64.62
CC1=CC=C(Br)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850179	0	37	-1.0	-52.96	325.75	5.47	-47.49
CC1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850180	0	37	-1.0	-53.76	310.93	4.77	-48.99
CC(C)C(CNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010850181	0	37	-1.0	-47.27	327.89	4.88	-42.39
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850182	0	45	-1.0	-48.98	392.83	1.74	-47.24
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010850183	0	33	-1.0	-51.66	305.53	3.43	-48.23
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010850184	0	45	-1.0	-50.17	379.05	5.10	-45.07
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010850185	0	37	-1.0	-46.12	349.61	5.85	-40.27
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010850186	0	42	-1.0	-71.15	360.01	2.18	-68.97
CC(C)C(CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850187	0	33	-1.0	-44.02	306.37	2.76	-41.26
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)N=C1C	REAL300010850188	0	40	-1.0	-58.43	333.39	3.84	-54.59
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850189	0	39	-1.0	-49.71	338.59	2.88	-46.83
CC(C)C(CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010850190	0	37	-1.0	-58.33	351.23	0.74	-57.59
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010850191	0	42	-1.0	-54.95	346.71	4.70	-50.25
CC(C)OC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850192	0	44	-1.0	-48.73	361.69	4.92	-43.81
CC1=C(C)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850193	0	37	-1.0	-54.84	325.97	4.45	-50.39
COCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850194	0	41	-1.0	-47.29	340.72	3.77	-43.52
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010850195	0	43	-1.0	-61.77	382.35	4.02	-57.75
CC(C)C(CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010850196	0	45	-1.0	-52.15	367.70	10.81	-41.34
CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300010850197	0	37	-1.0	-57.00	313.41	4.71	-52.29
CC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010850198	0	39	-1.0	-47.72	349.98	5.12	-42.60
CC(C)C(CNS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010850199	0	45	-1.0	-51.28	397.10	3.04	-48.24
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300010850200	0	47	-1.0	-54.01	386.18	6.69	-47.32
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010850201	0	38	-1.0	-52.06	344.42	5.49	-46.57
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010850202	0	43	-1.0	-65.54	359.82	7.85	-57.69
CC(C)C(CNS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010850203	0	43	-1.0	-53.41	339.21	2.27	-51.14
CC(C)C(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010850204	0	37	-1.0	-50.37	318.46	2.73	-47.64
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010850205	0	42	-1.0	-58.50	333.42	5.51	-52.99
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010850206	0	40	-1.0	-63.46	310.74	4.91	-58.55
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010850207	0	47	-1.0	-57.41	385.39	5.46	-51.95
CC(C)C(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010850208	0	46	-1.0	-48.57	366.09	1.04	-47.53
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010850209	0	40	-1.0	-51.84	361.60	2.15	-49.69
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850210	0	43	-1.0	-50.75	370.91	5.71	-45.04
COCC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850211	0	41	-1.0	-45.90	330.11	4.07	-41.83
CCC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300010850212	0	43	-1.0	-42.45	364.05	4.33	-38.12
CC(C)C(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010850213	0	51	-1.0	-65.96	408.21	5.97	-59.99
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850214	0	47	-1.0	-46.72	395.61	5.60	-41.12
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010850215	0	35	-1.0	-46.29	314.82	4.51	-41.78
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850216	0	38	-1.0	-54.04	340.55	4.57	-49.47
CC(C)C(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010850217	0	41	-1.0	-59.59	333.63	4.09	-55.50
CC(C)C(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010850218	0	39	-1.0	-59.80	334.96	4.12	-55.68
CC(C)C(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010850219	0	54	-1.0	-62.88	411.96	5.80	-57.08
CC(C)C(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010850220	0	48	-1.0	-45.41	379.31	4.30	-41.11
CC(C)C(CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010850221	0	45	-1.0	-51.46	390.70	4.79	-46.67
CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1F	REAL300010850222	0	37	-1.0	-58.37	311.59	4.48	-53.89
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850223	0	40	-1.0	-52.08	342.03	1.68	-50.40
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010850224	0	36	-1.0	-50.95	327.72	3.30	-47.65
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)SC=N1	REAL300010850225	1	36	-1.0	-61.45	320.81	2.26	-59.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850226	0	40	-1.0	-54.28	354.19	4.79	-49.49
CC1=CSC(C)=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853001	0	41	-1.0	-53.20	348.57	6.89	-46.31
CC1CC2=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C2O1	REAL300010853002	0	46	-1.0	-61.26	370.85	6.84	-54.42
CC(C)(C)C1=NC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300010853003	0	46	-1.0	-52.42	390.67	5.91	-46.51
CC(CNS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853004	0	46	-1.0	-52.22	388.66	8.46	-43.76
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853005	0	42	-1.0	-58.53	364.61	6.85	-51.68
CCC1=CN=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853006	0	43	-1.0	-52.75	359.93	5.87	-46.88
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300010853007	0	43	-1.0	-56.62	376.60	5.03	-51.59
CC(CNS(=O)(=O)C1=CSC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010853008	0	35	-1.0	-54.09	313.38	5.15	-48.94
CC(CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853009	0	40	-1.0	-49.67	356.13	5.44	-44.23
CC1=NC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300010853010	0	37	-1.0	-52.01	329.97	3.83	-48.18
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853011	0	43	-1.0	-64.72	362.68	5.86	-58.86
CC1=CSC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010853012	0	37	-1.0	-56.20	326.08	3.65	-52.55
CC(CNS(=O)(=O)C1=CC(C#N)=CC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853013	0	38	-1.0	-57.68	343.19	4.62	-53.06
CCN1N=NC=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853014	0	40	-1.0	-49.13	337.56	3.46	-45.67
CC(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853015	0	47	-1.0	-54.54	369.88	6.16	-48.38
CN1N=NN=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853016	0	36	-1.0	-50.63	312.86	2.31	-48.32
CC(CNS(=O)(=O)C1=CC2=NON=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853017	0	39	-1.0	-49.28	336.88	5.03	-44.25
CC(CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300010853018	0	41	-1.0	-65.50	370.56	5.89	-59.61
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853019	0	41	-1.0	-54.85	360.84	7.67	-47.18
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853020	0	45	-1.0	-49.81	372.92	6.02	-43.79
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1F	REAL300010853021	0	47	-1.0	-53.10	374.61	8.24	-44.86
COC1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300010853022	0	46	-1.0	-57.05	379.54	6.04	-51.01
CC(CNS(=O)(=O)C1=CC=C(C#N)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853023	0	38	-1.0	-54.60	338.69	4.74	-49.86
CC(CNS(=O)(=O)C1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300010853024	0	41	-1.0	-56.35	343.14	6.16	-50.19
COC1=CC=C(F)C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300010853025	0	46	-1.0	-59.58	385.09	6.51	-53.07
CN1C=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CCCC2)=N1	REAL300010853026	0	51	-1.0	-52.28	413.15	6.98	-45.30
CN1C=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CC2)=N1	REAL300010853027	0	45	-1.0	-50.71	377.91	5.97	-44.74
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853028	0	46	-1.0	-49.60	350.55	9.02	-40.58
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853030	0	42	-1.0	-51.14	365.33	5.78	-45.36
CC(CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853031	0	41	-1.0	-53.82	355.51	5.43	-48.39
CN1N=NC2=C(S(=O)(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=CC=C21	REAL300010853032	0	43	-1.0	-66.58	359.95	4.68	-61.90
CC(CNS(=O)(=O)C1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300010853033	0	41	-1.0	-56.35	343.14	6.16	-50.19
CC(CNS(=O)(=O)N1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853034	0	49	-1.0	-46.53	376.21	6.65	-39.88
CC(CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853035	0	41	-1.0	-54.92	342.13	6.04	-48.88
CN1C=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CCC2)=N1	REAL300010853036	0	48	-1.0	-56.50	397.49	6.57	-49.93
CC(CNS(=O)(=O)NCCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853037	0	46	-1.0	-47.39	382.34	6.27	-41.12
CC(CNS(=O)(=O)C1=C(Cl)SC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853038	0	35	-1.0	-54.89	317.68	5.21	-49.68
CC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853039	0	48	-1.0	-54.94	395.98	6.89	-48.05
CC(CNS(=O)(=O)C1=C(C2CC2)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853040	0	42	-1.0	-57.46	362.41	7.39	-50.07
CC(CNS(=O)(=O)C=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853041	0	42	-1.0	-54.79	353.90	7.43	-47.36
CC(OC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(F)(F)F	REAL300010853042	0	37	-1.0	-43.06	317.22	6.90	-36.16
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853043	0	43	-1.0	-50.52	334.39	8.43	-42.09
CC(CNC(=O)N1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853044	0	48	-1.0	-50.13	360.08	9.58	-40.55
CCCC1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853045	0	47	-1.0	-56.37	390.05	8.40	-47.97
COC(=O)C1=NN(C)C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853046	0	44	-1.0	-52.83	381.95	4.53	-48.30
CC(CNS(=O)(=O)C1=CC(F)=CC=C1C#N)(C(=O)[O-])C1=CC=CC=C1	REAL300010853047	0	39	-1.0	-59.86	337.03	6.14	-53.72
CN1N=C2CCCC2=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853048	0	45	-1.0	-52.65	366.69	5.79	-46.86
CC(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853049	0	44	-1.0	-54.12	350.29	5.64	-48.48
CC1=CC=CC(C)=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853050	0	44	-1.0	-49.64	352.78	7.72	-41.92
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853051	0	47	-1.0	-55.81	369.39	5.77	-50.04
CC(C)(C)N1C=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300010853052	0	47	-1.0	-53.32	390.56	5.91	-47.41
CC(CNS(=O)(=O)C1=CNN=C1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853053	0	45	-1.0	-49.30	369.32	5.12	-44.18
CC(CNS(=O)(=O)C1=CC=C(CF)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853054	0	41	-1.0	-48.78	348.42	7.07	-41.71
CC(CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853055	0	38	-1.0	-54.15	343.03	6.72	-47.43
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853056	0	38	-1.0	-52.74	357.42	6.29	-46.45
CC1=NN(C)C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853057	0	41	-1.0	-52.64	347.85	4.41	-48.23
CC(CNS(=O)(=O)N1CCC(F)(F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853058	0	43	-1.0	-51.61	348.13	5.48	-46.13
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300010853059	0	48	-1.0	-51.15	402.33	5.27	-45.88
CC(CNS(=O)(=O)C1=CC=C(Br)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853060	0	35	-1.0	-52.92	330.04	4.92	-48.00
CC1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300010853061	0	44	-1.0	-56.28	358.22	7.53	-48.75
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853062	0	41	-1.0	-61.90	342.16	7.67	-54.23
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853063	0	49	-1.0	-58.02	406.30	8.28	-49.74
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853064	0	49	-1.0	-47.51	389.11	9.32	-38.19
CC(CNS(=O)(=O)N1CC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853065	0	44	-1.0	-47.84	364.17	6.70	-41.14
CN(C1CCC1)S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853066	0	43	-1.0	-45.97	338.60	5.29	-40.68
CC(CNS(=O)(=O)CC1=NOC2=C1COCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853067	0	45	-1.0	-50.03	373.50	4.60	-45.43
CC(CNS(=O)(=O)C1=CC=NC(C#N)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853068	0	38	-1.0	-53.84	341.82	4.71	-49.13
CC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853069	0	38	-1.0	-54.99	341.41	6.64	-48.35
CC(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853070	0	45	-1.0	-54.68	371.19	8.34	-46.34
COC1=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=CS1	REAL300010853071	0	39	-1.0	-59.31	340.55	4.69	-54.62
COC(=O)C1=C(C)SC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853072	0	44	-1.0	-54.06	391.83	6.54	-47.52
CC(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853073	0	45	-1.0	-55.73	369.39	8.11	-47.62
CC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853074	0	48	-1.0	-50.97	386.81	6.85	-44.12
CCC(C)N1N=CC=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853075	0	47	-1.0	-54.91	380.72	5.79	-49.12
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300010853076	0	47	-1.0	-55.56	391.63	3.77	-51.79
CN(C(C)(C)C)S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853077	0	45	-1.0	-46.46	347.90	5.75	-40.71
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300010853078	0	47	-1.0	-55.56	391.63	3.77	-51.79
CC(CNS(=O)(=O)C=CC1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853079	0	39	-1.0	-54.38	345.86	6.58	-47.80
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853080	0	41	-1.0	-59.13	350.33	7.76	-51.37
CCC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010853081	0	41	-1.0	-55.81	351.74	5.79	-50.02
CN(C1CCCCCC1)S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853082	0	52	-1.0	-47.02	391.08	7.26	-39.76
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853083	0	38	-1.0	-50.90	345.84	5.46	-45.44
CC(CNS(=O)(=O)C=CC1=CC=CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853084	0	39	-1.0	-55.30	337.78	5.65	-49.65
CC(CNS(=O)(=O)C1=CC=CC(C#N)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853085	0	38	-1.0	-59.33	338.80	4.64	-54.69
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853086	0	42	-1.0	-55.95	354.49	6.05	-49.90
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853087	0	44	-1.0	-52.92	379.28	7.73	-45.19
CC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853088	0	42	-1.0	-54.93	361.25	5.83	-49.10
COC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300010853089	0	39	-1.0	-54.92	349.45	4.64	-50.28
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C2=NC=CC=C12	REAL300010853090	0	49	-1.0	-66.05	397.09	8.55	-57.50
CC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853091	0	46	-1.0	-48.15	374.05	6.25	-41.90
CC(CNS(=O)(=O)C1=CN(CCF)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853092	0	41	-1.0	-54.41	354.67	4.94	-49.47
CCOCC1=CC=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853093	0	48	-1.0	-57.74	402.59	6.88	-50.86
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853094	0	48	-1.0	-51.57	401.68	7.43	-44.14
CC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853095	0	51	-1.0	-54.98	412.05	7.14	-47.84
CC(CNS(=O)(=O)C1=CC=CC=C1CF)(C(=O)[O-])C1=CC=CC=C1	REAL300010853096	0	41	-1.0	-57.57	342.69	7.25	-50.32
CC1=CN=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853097	0	40	-1.0	-54.72	342.09	5.04	-49.68
CC(CNC(=O)N1CCC=C(Cl)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853098	0	40	-1.0	-46.21	328.39	8.73	-37.48
CC(CNS(=O)(=O)CC1=C(Cl)SC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853099	0	37	-1.0	-51.71	350.09	4.46	-47.25
CC(CNS(=O)(=O)C1=CC=CC(C#N)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853100	0	39	-1.0	-58.00	340.42	6.36	-51.64
CC(CNS(=O)(=O)CC1=CC2=NON=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853101	0	42	-1.0	-59.67	360.95	5.72	-53.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010855001	0	33	-1.0	-47.11	306.76	7.14	-39.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010855002	0	45	-1.0	-45.61	381.15	8.10	-37.51
CCC(C(=O)[O-])N(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010855003	0	46	-1.0	-62.09	341.37	7.01	-55.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010855004	0	39	-1.0	-46.36	344.53	1.50	-44.86
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855005	0	39	-1.0	-49.56	331.10	5.99	-43.57
CCOC(=O)N1CCN(S(=O)(=O)N(C)C(CC)C(=O)[O-])CC1	REAL300010855006	0	44	-1.0	-44.64	356.09	3.67	-40.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300010855007	0	40	-1.0	-52.91	339.70	5.67	-47.24
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010855008	0	41	-1.0	-53.26	348.13	6.01	-47.25
CCC(C(=O)[O-])N(C)S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300010855009	0	53	-1.0	-51.62	393.69	7.58	-44.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br	REAL300010855010	0	37	-1.0	-45.51	333.94	5.90	-39.61
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010855011	0	39	-1.0	-48.65	343.45	1.53	-47.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010855012	0	37	-1.0	-58.64	326.82	2.02	-56.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300010855013	0	34	-1.0	-42.24	297.81	5.41	-36.83
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300010855014	0	38	-1.0	-46.55	332.86	5.82	-40.73
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010855015	0	43	-1.0	-46.22	358.69	6.37	-39.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300010855016	0	41	-1.0	-54.43	346.03	6.52	-47.91
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300010855017	0	38	-1.0	-43.75	347.23	3.93	-39.82
CCC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)CC	REAL300010855018	0	38	-1.0	-61.59	325.86	-0.63	-62.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300010855019	0	34	-1.0	-43.62	297.82	5.43	-38.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300010855020	0	36	-1.0	-42.66	320.17	6.32	-36.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300010855021	0	37	-1.0	-47.90	320.74	6.02	-41.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010855022	0	28	-1.0	-39.40	290.64	4.87	-34.53
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010855023	0	43	-1.0	-48.26	361.99	6.71	-41.55
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010855024	0	31	-1.0	-42.71	292.76	5.41	-37.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300010855025	0	37	-1.0	-50.51	316.35	6.09	-44.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010855026	0	37	-1.0	-44.25	342.21	5.50	-38.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300010855027	0	39	-1.0	-47.00	335.71	4.46	-42.54
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300010855028	0	38	-1.0	-56.71	330.66	5.22	-51.49
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010855029	0	34	-1.0	-41.36	320.30	6.20	-35.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300010855030	0	35	-1.0	-46.97	309.14	1.71	-45.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010855031	0	40	-1.0	-45.16	351.43	7.66	-37.50
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010855032	0	33	-1.0	-42.21	304.89	4.10	-38.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010855033	0	33	-1.0	-40.29	308.13	5.96	-34.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300010855034	0	37	-1.0	-44.89	315.79	6.10	-38.79
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010855035	0	34	-1.0	-45.75	306.76	5.91	-39.84
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010855036	0	43	-1.0	-55.92	365.98	3.24	-52.68
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010855037	0	38	-1.0	-54.92	331.76	5.12	-49.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010855038	0	31	-1.0	-41.06	297.57	5.81	-35.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300010855039	0	39	-1.0	-47.36	342.94	4.64	-42.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010855040	0	39	-1.0	-48.02	331.61	1.90	-46.12
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C1F	REAL300010855041	0	40	-1.0	-49.86	343.05	6.18	-43.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010855042	0	39	-1.0	-48.52	330.25	5.70	-42.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010855043	0	34	-1.0	-48.84	317.76	6.51	-42.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300010855044	0	37	-1.0	-43.66	332.40	7.52	-36.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010855045	0	34	-1.0	-44.29	316.44	6.57	-37.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010855046	0	37	-1.0	-49.30	316.21	7.68	-41.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010855047	0	37	-1.0	-48.07	324.77	7.66	-40.41
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C2O1	REAL300010855048	0	45	-1.0	-53.46	375.16	6.75	-46.71
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010855049	0	37	-1.0	-53.76	326.45	2.02	-51.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010855050	0	44	-1.0	-50.30	376.79	6.31	-43.99
CCC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010855051	0	42	-1.0	-46.22	367.94	1.90	-44.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010855052	0	32	-1.0	-51.76	289.09	5.13	-46.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300010855053	0	42	-1.0	-50.17	336.02	5.14	-45.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300010855054	0	36	-1.0	-41.43	317.67	6.30	-35.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010855055	0	34	-1.0	-50.42	304.94	5.39	-45.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300010855056	0	37	-1.0	-45.03	328.42	6.94	-38.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855057	0	43	-1.0	-48.43	339.74	5.20	-43.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010855058	0	37	-1.0	-57.40	322.62	2.10	-55.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300010855059	0	47	-1.0	-45.86	389.69	2.51	-43.35
CCOC(=O)C1CCN(S(=O)(=O)N(C)C(CC)C(=O)[O-])CC1	REAL300010855060	0	45	-1.0	-54.59	354.89	5.62	-48.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300010855061	0	39	-1.0	-60.29	319.36	6.17	-54.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010855062	0	46	-1.0	-53.90	389.91	3.96	-49.94
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855063	0	41	-1.0	-51.47	346.03	4.44	-47.03
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010855064	0	34	-1.0	-54.88	307.80	5.87	-49.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010855065	0	32	-1.0	-43.43	279.73	5.64	-37.79
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1C(=O)OC	REAL300010855066	0	40	-1.0	-53.49	337.99	6.52	-46.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010855067	0	31	-1.0	-42.06	282.11	5.13	-36.93
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855068	0	50	-1.0	-54.11	396.92	7.89	-46.22
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010855069	0	34	-1.0	-53.82	312.35	6.21	-47.61
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300010855070	0	38	-1.0	-50.55	341.80	4.33	-46.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010855071	0	39	-1.0	-50.77	318.71	5.12	-45.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300010855072	0	35	-1.0	-42.04	321.84	5.02	-37.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300010855073	0	43	-1.0	-53.72	345.95	3.13	-50.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300010855074	0	34	-1.0	-43.56	316.65	4.42	-39.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300010855075	0	40	-1.0	-43.49	347.71	6.90	-36.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010855076	0	42	-1.0	-45.75	375.31	8.16	-37.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300010855077	0	40	-1.0	-46.68	330.06	6.03	-40.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010855078	0	33	-1.0	-38.97	317.52	6.02	-32.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300010855079	0	35	-1.0	-47.11	317.13	5.54	-41.57
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300010855080	0	43	-1.0	-48.72	345.12	5.31	-43.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010855081	0	33	-1.0	-42.20	296.20	5.50	-36.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300010855082	0	45	-1.0	-45.45	379.50	8.24	-37.21
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300010855083	0	38	-1.0	-48.39	314.65	5.30	-43.09
CCC(C(=O)[O-])N(C)S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010855084	0	45	-1.0	-50.63	394.55	3.81	-46.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010855085	0	34	-1.0	-52.95	293.15	1.99	-50.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010855086	0	39	-1.0	-45.20	332.74	5.25	-39.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010855087	0	31	-1.0	-41.06	297.66	5.92	-35.14
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300010855088	0	42	-1.0	-51.57	341.38	4.56	-47.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300010855089	0	41	-1.0	-45.50	339.21	5.63	-39.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300010855090	0	40	-1.0	-46.01	361.40	5.67	-40.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(COC)=C1	REAL300010855091	0	38	-1.0	-45.39	323.08	4.44	-40.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010855092	0	31	-1.0	-50.89	302.11	4.94	-45.95
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010855093	0	40	-1.0	-45.13	348.65	6.68	-38.45
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010855094	0	37	-1.0	-54.38	330.21	5.31	-49.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010855095	0	37	-1.0	-44.13	353.04	6.03	-38.10
CCC(C(=O)[O-])N(C)S(=O)(=O)CCOCC(F)(F)F	REAL300010855096	0	34	-1.0	-53.17	300.95	2.80	-50.37
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300010855097	0	36	-1.0	-51.14	305.37	2.15	-48.99
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855098	0	43	-1.0	-43.09	320.09	7.39	-35.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=C(C)S1	REAL300010855100	0	31	-1.0	-41.57	303.57	5.17	-36.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010855101	0	36	-1.0	-52.16	326.39	5.44	-46.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC(C)=C(Br)S1	REAL300010855102	0	30	-1.0	-46.52	289.16	2.59	-43.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300010855103	0	36	-1.0	-40.90	310.04	6.02	-34.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010855104	0	35	-1.0	-48.43	314.65	3.44	-44.99
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010855105	0	36	-1.0	-50.25	311.24	6.52	-43.73
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010855106	0	39	-1.0	-48.56	334.85	6.71	-41.85
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010855107	0	39	-1.0	-56.69	335.66	6.82	-49.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300010855108	0	36	-1.0	-47.59	323.89	4.49	-43.10
CCCCCCN1C=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(=O)NC1=O	REAL300010855109	0	49	-1.0	-47.73	401.36	5.42	-42.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010855110	0	31	-1.0	-44.33	287.18	4.90	-39.43
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010855111	0	34	-1.0	-57.00	296.58	5.44	-51.56
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010855112	0	42	-1.0	-48.07	347.42	6.52	-41.55
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010855113	0	35	-1.0	-57.74	311.95	5.64	-52.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300010855114	0	36	-1.0	-40.08	321.07	6.04	-34.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300010855115	0	37	-1.0	-44.65	318.09	6.50	-38.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300010855116	0	46	-1.0	-51.34	392.54	2.27	-49.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300010855117	1	46	-1.0	-50.58	384.59	2.29	-48.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1F	REAL300010855118	0	45	-1.0	-53.13	383.68	2.87	-50.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010855119	0	45	-1.0	-55.91	367.62	5.68	-50.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010855120	0	34	-1.0	-63.35	296.30	4.20	-59.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300010855121	0	34	-1.0	-43.70	301.18	5.98	-37.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300010855122	0	34	-1.0	-44.37	297.74	5.81	-38.56
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010855123	0	34	-1.0	-41.38	305.41	5.64	-35.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300010855124	0	42	-1.0	-53.38	362.18	2.08	-51.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010855125	0	30	-1.0	-43.42	283.27	4.00	-39.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12	REAL300010855126	0	42	-1.0	-46.14	351.02	5.55	-40.59
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010855127	0	34	-1.0	-40.44	326.63	6.54	-33.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010855128	0	39	-1.0	-55.83	345.26	3.01	-52.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010855129	0	31	-1.0	-39.92	297.07	6.12	-33.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010855130	0	30	-1.0	-38.98	285.20	3.62	-35.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300010855131	0	36	-1.0	-42.67	320.12	3.56	-39.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010855132	0	34	-1.0	-51.46	331.92	1.78	-49.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010855133	0	50	-1.0	-50.12	422.81	5.81	-44.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010855134	0	39	-1.0	-50.73	315.11	5.11	-45.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300010855135	0	41	-1.0	-44.81	338.64	5.58	-39.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300010855136	0	45	-1.0	-50.47	403.28	2.46	-48.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(COC)C=C1	REAL300010855137	0	38	-1.0	-44.63	324.45	4.46	-40.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010855138	0	40	-1.0	-57.07	355.75	4.56	-52.51
CCC(C(=O)[O-])N(C)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010855139	0	42	-1.0	-52.58	325.97	10.73	-41.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300010855140	0	34	-1.0	-45.21	294.55	5.68	-39.53
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300010855141	0	36	-1.0	-47.37	318.14	5.50	-41.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010855142	0	42	-1.0	-53.08	367.18	3.54	-49.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300010855143	0	44	-1.0	-53.23	360.03	7.04	-46.19
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010855144	0	35	-1.0	-48.24	328.19	6.22	-42.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010855145	0	40	-1.0	-51.95	332.04	8.50	-43.45
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010855146	0	34	-1.0	-44.23	294.02	3.49	-40.74
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CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010855148	0	37	-1.0	-48.83	316.86	6.08	-42.75
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CC1=CC=C(Br)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856411	0	35	-1.0	-56.39	307.37	5.50	-50.89
CC1=CC=C(Cl)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856412	0	35	-1.0	-41.69	296.99	5.16	-36.53
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CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300010856414	0	43	-1.0	-42.30	367.67	1.70	-40.60
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCC1	REAL300010856415	0	31	-1.0	-44.23	285.35	3.51	-40.72
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=CC=C21	REAL300010856416	0	43	-1.0	-53.87	356.35	5.10	-48.77
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)CCC1	REAL300010856417	0	35	-1.0	-58.08	326.24	5.96	-52.12
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856418	0	40	-1.0	-54.65	349.30	2.57	-52.08
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCC1	REAL300010856419	0	31	-1.0	-48.25	288.03	3.14	-45.11
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)N=C1C	REAL300010856420	0	38	-1.0	-52.44	309.97	4.84	-47.60
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300010856421	0	37	-1.0	-44.28	318.50	2.74	-41.54
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C(Cl)S1	REAL300010856422	0	35	-1.0	-53.96	322.13	0.74	-53.22
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCC1	REAL300010856423	0	40	-1.0	-48.07	321.46	4.65	-43.42
CC(C)OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010856424	0	42	-1.0	-46.40	337.58	4.91	-41.49
CC1=C(C)SC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856425	0	35	-1.0	-57.07	300.77	4.54	-52.53
COCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010856426	0	39	-1.0	-44.90	322.83	3.76	-41.14
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856427	0	41	-1.0	-60.49	355.92	3.44	-57.05
CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1Cl	REAL300010856428	0	35	-1.0	-41.79	294.33	5.08	-36.71
CC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1Br	REAL300010856429	0	37	-1.0	-52.77	325.02	5.13	-47.64
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)NCC(F)(F)F	REAL300010856430	0	43	-1.0	-45.21	372.54	2.99	-42.22
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=C2)CC1	REAL300010856431	0	45	-1.0	-46.68	366.09	6.65	-40.03
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856432	0	36	-1.0	-63.57	326.80	5.68	-57.89
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCC1	REAL300010856433	0	41	-1.0	-42.32	331.90	7.50	-34.82
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCC1	REAL300010856434	0	35	-1.0	-48.64	293.80	2.68	-45.96
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C2=NC=CC=C2C=C1	REAL300010856435	0	40	-1.0	-49.74	321.53	5.76	-43.98
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCC1	REAL300010856436	0	38	-1.0	-41.18	311.24	5.68	-35.50
CC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C2=CC=CC=C12	REAL300010856437	0	45	-1.0	-66.77	362.42	5.52	-61.25
O=C([O-])CC1(NS(=O)(=O)CCCN2CCOCC2)CCC1	REAL300010856438	0	44	-1.0	-42.21	340.07	1.08	-41.13
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCC1	REAL300010856439	0	38	-1.0	-43.28	336.37	2.09	-41.19
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856440	0	41	-1.0	-46.01	350.81	5.67	-40.34
COCC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856441	0	39	-1.0	-54.56	315.70	4.18	-50.38
CCC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C(C(=O)OC)O1	REAL300010856442	0	41	-1.0	-47.93	331.75	4.14	-43.79
O=C([O-])CC1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CCC1	REAL300010856443	0	49	-1.0	-62.43	375.87	5.83	-56.60
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856444	0	45	-1.0	-44.62	377.72	5.56	-39.06
N#CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(Cl)=C1	REAL300010856445	0	33	-1.0	-39.87	299.41	4.80	-35.07
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010856446	0	36	-1.0	-42.62	318.42	4.88	-37.74
O=C([O-])CC1(NS(=O)(=O)C2=CN3CCCCC3=N2)CCC1	REAL300010856447	0	39	-1.0	-54.74	312.20	5.13	-49.61
O=C([O-])CC1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCC1	REAL300010856448	0	37	-1.0	-62.31	315.28	4.26	-58.05
O=C([O-])CC1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CCC1	REAL300010856449	0	52	-1.0	-59.18	375.21	5.58	-53.60
O=C([O-])CC1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCC1	REAL300010856450	0	46	-1.0	-40.76	356.85	4.22	-36.54
O=C([O-])CC1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CCC1	REAL300010856451	0	43	-1.0	-49.50	361.83	4.69	-44.81
CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1F	REAL300010856452	0	35	-1.0	-46.08	282.64	4.44	-41.64
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300010856453	0	38	-1.0	-46.11	316.79	1.63	-44.48
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCC1	REAL300010856454	0	34	-1.0	-44.72	303.25	3.33	-41.39
COC(=O)C1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)SC=N1	REAL300010856455	1	34	-1.0	-70.12	298.11	2.22	-67.90
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856456	0	38	-1.0	-46.01	328.94	4.75	-41.26
CN1N=CC=C1C(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010858001	0	38	-1.0	-46.56	343.88	4.33	-42.23
CN1N=CC=C1C(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010858002	0	38	-1.0	-45.17	351.01	4.66	-40.51
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)S2)C1	REAL300010858003	0	43	-1.0	-56.51	380.31	3.17	-53.34
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)SC2=CC=C(C#N)C=C12	REAL300010858004	0	39	-1.0	-50.63	363.12	5.13	-45.50
COC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1	REAL300010858005	0	41	-1.0	-41.15	344.79	1.04	-40.11
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C)C1CCOC1	REAL300010858006	0	43	-1.0	-44.66	358.56	0.72	-43.94
CN1N=CC=C1C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010858007	0	35	-1.0	-51.62	329.46	3.83	-47.79
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858008	0	39	-1.0	-50.91	342.60	0.12	-50.79
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858009	0	47	-1.0	-46.86	404.36	5.19	-41.67
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010858010	0	32	-1.0	-40.25	321.61	3.50	-36.75
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1F	REAL300010858011	0	38	-1.0	-44.14	353.85	3.53	-40.61
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010858012	0	31	-1.0	-45.75	296.02	1.47	-44.28
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)=C2)=N1	REAL300010858013	0	44	-1.0	-56.39	380.99	2.65	-53.74
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C)C1=CC=C(F)C=C1	REAL300010858014	0	42	-1.0	-43.26	374.99	3.90	-39.36
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010858015	0	44	-1.0	-53.44	372.56	4.04	-49.40
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)N(C)N=C1	REAL300010858016	0	38	-1.0	-54.70	332.24	1.56	-53.14
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C	REAL300010858017	0	43	-1.0	-55.09	370.72	1.67	-53.42
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C)C1CC1	REAL300010858018	0	42	-1.0	-43.69	358.30	3.12	-40.57
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)N1C	REAL300010858019	0	35	-1.0	-53.43	313.34	1.73	-51.70
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1F	REAL300010858020	0	38	-1.0	-44.18	349.88	3.38	-40.80
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858021	0	45	-1.0	-50.40	376.04	4.25	-46.15
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C)C1CCCC1	REAL300010858022	0	45	-1.0	-43.00	366.16	3.16	-39.84
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C)C1CCCCC1	REAL300010858023	0	48	-1.0	-43.78	385.63	3.53	-40.25
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010858024	0	35	-1.0	-49.57	328.95	2.17	-47.40
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C(C)C	REAL300010858025	0	51	-1.0	-44.99	426.05	5.90	-39.09
COC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858026	0	36	-1.0	-49.85	321.89	2.47	-47.38
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C)=C1[N+](=O)[O-]	REAL300010858027	0	40	-1.0	-48.75	351.31	4.94	-43.81
CN1N=CC=C1C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010858028	0	39	-1.0	-42.32	331.51	2.47	-39.85
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010858029	0	45	-1.0	-48.54	390.08	4.99	-43.55
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)O1	REAL300010858030	0	38	-1.0	-47.00	351.93	2.21	-44.79
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CN1CC1CC1	REAL300010858031	0	45	-1.0	-55.87	386.79	5.36	-50.51
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)C=C2C1	REAL300010858032	0	43	-1.0	-51.63	378.28	3.35	-48.28
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010858033	0	35	-1.0	-46.65	335.53	1.37	-45.28
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010858034	0	42	-1.0	-57.58	360.39	6.18	-51.40
CN1N=CC=C1C(NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010858035	0	38	-1.0	-46.09	349.05	4.34	-41.75
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(F)=C1F	REAL300010858036	0	35	-1.0	-52.73	326.44	3.54	-49.19
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010858037	0	31	-1.0	-44.09	311.11	1.39	-42.70
CC(C)OC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858038	0	41	-1.0	-49.77	358.10	1.79	-47.98
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010858039	0	38	-1.0	-57.64	350.96	1.14	-56.50
CC(C)C1(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1	REAL300010858040	0	38	-1.0	-51.88	303.83	3.05	-48.83
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)OC=C1	REAL300010858041	1	35	-1.0	-46.96	319.32	2.16	-44.80
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C(C)C=C1OC	REAL300010858042	0	45	-1.0	-53.17	380.24	4.45	-48.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858043	1	34	-1.0	-51.02	312.41	1.52	-49.50
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=CC=CC=C2C=C1	REAL300010858044	0	41	-1.0	-49.02	344.17	5.89	-43.13
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010858045	0	36	-1.0	-57.89	322.58	4.02	-53.87
CC1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)=CC=C2NC1=O	REAL300010858047	0	41	-1.0	-53.73	364.77	2.48	-51.25
CC1=NSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858048	0	31	-1.0	-50.52	302.59	1.06	-49.46
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010858049	0	37	-1.0	-46.73	338.45	1.30	-45.43
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C(C2=CC=CC=C2)S1	REAL300010858050	0	41	-1.0	-59.33	374.24	4.45	-54.88
CN1N=CC=C1C(NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010858051	0	32	-1.0	-49.01	301.29	0.13	-48.88
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C(F)C=C1[N+](=O)[O-]	REAL300010858052	0	37	-1.0	-45.24	339.45	3.92	-41.32
CN1N=CC=C1C(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010858053	0	38	-1.0	-50.96	344.97	3.88	-47.08
CN1N=CC=C1C(NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010858055	1	48	-1.0	-42.17	390.80	-0.50	-42.67
CN1N=CC=C1C(NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010858056	0	32	-1.0	-50.59	317.88	0.90	-49.69
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858057	0	36	-1.0	-48.58	322.25	3.78	-44.80
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=N1	REAL300010858058	0	41	-1.0	-43.81	363.66	1.39	-42.42
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C)=N1	REAL300010858059	0	44	-1.0	-50.91	379.53	3.36	-47.55
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858060	0	42	-1.0	-60.38	367.49	3.58	-56.80
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858061	0	36	-1.0	-52.28	328.63	2.80	-49.48
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C(C)C	REAL300010858062	0	48	-1.0	-45.22	404.56	5.10	-40.12
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010858063	0	44	-1.0	-45.03	372.75	5.10	-39.93
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010858064	0	33	-1.0	-37.89	313.92	3.14	-34.75
CN1N=CC=C1C(NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010858065	0	35	-1.0	-42.33	336.71	4.03	-38.30
CN1N=CC=C1C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010858066	0	51	-1.0	-43.64	418.70	7.32	-36.32
CN1N=CC=C1C(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010858067	0	36	-1.0	-55.39	327.90	2.73	-52.66
CN1N=CC=C1C(NS(=O)(=O)C1=CNC(=O)S1)C(=O)[O-]	REAL300010858068	0	29	-1.0	-53.02	281.35	-1.57	-54.59
CC1=NOC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858069	0	31	-1.0	-41.65	286.86	0.60	-41.05
CN1N=CC=C1C(NS(=O)(=O)CC(C)(C)CCl)C(=O)[O-]	REAL300010858070	0	37	-1.0	-39.54	321.14	3.14	-36.40
CN1N=CC=C1C(NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010858071	0	29	-1.0	-44.88	284.56	0.62	-44.26
CN1N=CC=C1C(NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010858072	0	40	-1.0	-50.13	361.69	3.64	-46.49
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010858073	0	31	-1.0	-39.81	314.24	1.93	-37.88
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010858074	0	31	-1.0	-44.04	306.52	1.30	-42.74
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010858075	0	31	-1.0	-42.89	292.01	0.70	-42.19
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010858076	0	37	-1.0	-55.31	348.58	3.58	-51.73
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010858077	0	34	-1.0	-41.78	334.25	2.71	-39.07
CN1N=CC=C1C(NS(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	REAL300010858078	0	32	-1.0	-62.01	299.87	-1.21	-63.22
CN1N=CC=C1C(NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010858079	0	36	-1.0	-72.24	321.01	-0.03	-72.27
CN1N=CC=C1C(NS(=O)(=O)CCC(C)(F)F)C(=O)[O-]	REAL300010858080	0	34	-1.0	-46.30	311.12	2.18	-44.12
CO[C@@H]1CCC[C@@H]1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858081	0	39	-1.0	-44.37	325.29	2.30	-42.07
CN1N=CC=C1C(NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010858082	0	35	-1.0	-41.63	334.81	3.64	-37.99
CN1N=CC=C1C(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010858083	0	31	-1.0	-54.64	316.43	0.97	-53.67
CN1C=NN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858084	0	31	-1.0	-57.41	282.70	2.22	-55.19
CCS(=O)(CC)=NS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858085	0	38	-1.0	-62.96	338.94	0.45	-62.51
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C([N+](=O)[O-])S1	REAL300010858086	0	34	-1.0	-50.82	319.63	3.87	-46.95
CN1N=CC=C1C(NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010858087	0	40	-1.0	-51.70	338.88	1.91	-49.79
CCN1CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1=O	REAL300010858088	0	39	-1.0	-52.84	336.49	1.32	-51.52
CN(C)C1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1	REAL300010858089	0	40	-1.0	-43.87	336.42	1.28	-42.59
CCOC(=O)C1(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CCC1	REAL300010858090	0	41	-1.0	-47.91	348.26	3.60	-44.31
CN1N=CC=C1C(NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010858091	0	43	-1.0	-47.29	378.11	-0.59	-47.88
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010858092	0	33	-1.0	-45.95	331.75	1.72	-44.23
CN1N=CC=C1C(NS(=O)(=O)CC1CCC1(F)F)C(=O)[O-]	REAL300010858093	0	35	-1.0	-54.65	309.42	2.51	-52.14
COC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858094	0	41	-1.0	-43.99	371.64	4.17	-39.82
CN1N=CC=C1C(NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010858095	0	35	-1.0	-49.84	326.38	1.54	-48.30
CN1N=CC=C1C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010858096	0	42	-1.0	-45.17	346.43	2.71	-42.46
CN1N=CC=C1C(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010858097	0	29	-1.0	-50.63	303.70	2.33	-48.30
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C(C)(C)C)=N1	REAL300010858098	0	44	-1.0	-52.08	360.32	2.95	-49.13
CCC(C)(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858099	0	43	-1.0	-42.27	347.97	3.48	-38.79
CN1N=CC=C1C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010858100	0	42	-1.0	-45.58	361.90	3.18	-42.40
CN1N=CC=C1C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010858101	0	35	-1.0	-43.27	318.59	1.39	-41.88
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(Br)=N1	REAL300010858102	0	32	-1.0	-45.37	314.27	0.93	-44.44
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010858103	0	34	-1.0	-49.18	328.10	1.83	-47.35
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858104	0	39	-1.0	-54.23	344.16	2.74	-51.49
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010858105	1	33	-1.0	-52.46	302.82	0.41	-52.05
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858106	0	42	-1.0	-44.10	371.71	5.62	-38.48
COC(=O)C1=CNN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858107	0	35	-1.0	-51.32	316.42	0.22	-51.10
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858108	0	38	-1.0	-52.54	339.77	1.81	-50.73
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1F	REAL300010858109	0	37	-1.0	-46.80	340.38	3.34	-43.46
CN1N=CC=C1C(NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010858110	0	41	-1.0	-63.31	358.07	0.88	-62.43
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C#N)=C1	REAL300010858111	0	36	-1.0	-55.82	333.78	3.73	-52.09
CC1=CC=CC(C#N)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858112	0	36	-1.0	-62.16	316.92	3.73	-58.43
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010858113	0	35	-1.0	-47.07	322.69	3.48	-43.59
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010858114	0	36	-1.0	-43.56	343.14	4.54	-39.02
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1CC	REAL300010858115	0	48	-1.0	-49.96	402.91	5.14	-44.82
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010858116	0	39	-1.0	-47.58	358.25	4.80	-42.78
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858117	0	38	-1.0	-46.71	328.73	4.62	-42.09
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858118	0	46	-1.0	-64.93	390.27	2.37	-62.56
CN1N=CC=C1C(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010858119	0	42	-1.0	-46.49	375.18	4.72	-41.77
CC1=CN=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858120	0	34	-1.0	-44.28	318.97	2.07	-42.21
CN1N=CC=C1C(NS(=O)(=O)CCCC1CC1)C(=O)[O-]	REAL300010858121	0	38	-1.0	-52.37	326.68	3.43	-48.94
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NS1)C(=O)[O-]	REAL300010858122	0	28	-1.0	-49.45	273.66	0.33	-49.12
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858123	0	42	-1.0	-41.94	367.65	5.11	-36.83
CN1N=CC=C1C(NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010858124	0	44	-1.0	-52.12	352.51	4.05	-48.07
CCOC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)N(C)N=C1	REAL300010858125	0	41	-1.0	-55.70	356.46	2.53	-53.17
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010858126	0	36	-1.0	-45.33	340.64	4.46	-40.87
CN1N=CC=C1C(NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010858127	0	37	-1.0	-42.24	332.63	2.95	-39.29
CN1N=CC=C1C(NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010858128	0	41	-1.0	-42.74	359.92	5.07	-37.67
CN1N=CC=C1C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010858129	0	37	-1.0	-55.73	319.65	-0.32	-56.05
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C(C(N)=O)O1	REAL300010858130	0	36	-1.0	-56.37	334.67	-1.65	-58.02
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858131	0	41	-1.0	-52.85	343.05	5.23	-47.62
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858132	0	45	-1.0	-55.13	395.25	3.58	-51.55
CN1N=CC=C1C(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010858133	0	41	-1.0	-58.15	350.30	3.33	-54.82
CN1N=CC=C1C(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010858134	0	32	-1.0	-53.86	295.69	2.73	-51.13
COC(=O)C1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858135	0	37	-1.0	-50.02	345.52	1.63	-48.39
CN1N=CC=C1C(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010858136	0	38	-1.0	-52.27	339.89	4.18	-48.09
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010858137	0	37	-1.0	-56.66	330.47	3.31	-53.35
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858138	0	39	-1.0	-57.94	350.38	2.84	-55.10
CN1N=CC=C1C(NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010858139	0	30	-1.0	-43.87	279.92	1.41	-42.46
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010858140	0	46	-1.0	-44.20	390.02	2.92	-41.28
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)C=C21	REAL300010858141	0	46	-1.0	-58.68	395.34	4.77	-53.91
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C(N)N=C1)C(=O)[O-]	REAL300010858142	0	32	-1.0	-44.84	299.68	0.19	-44.65
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858143	0	35	-1.0	-44.86	310.99	-0.17	-45.03
CCC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1	REAL300010858144	0	43	-1.0	-42.11	351.41	3.29	-38.82
CN1N=CC=C1C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010858146	0	39	-1.0	-48.07	344.43	2.53	-45.54
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010858147	0	39	-1.0	-48.78	333.58	2.19	-46.59
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010858148	0	42	-1.0	-47.46	357.07	3.23	-44.23
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858149	0	45	-1.0	-60.72	398.99	4.16	-56.56
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858150	0	42	-1.0	-55.02	360.18	3.40	-51.62
CN1N=CC=C1C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010858151	0	43	-1.0	-55.24	357.70	0.79	-54.45
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010858152	0	38	-1.0	-50.28	353.67	3.53	-46.75
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010858153	0	38	-1.0	-45.16	345.22	0.08	-45.08
CN1N=CC=C1C(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010858154	0	29	-1.0	-41.77	287.13	1.75	-40.02
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010858155	0	39	-1.0	-52.33	333.47	2.69	-49.64
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1F	REAL300010858156	0	36	-1.0	-46.60	334.20	2.17	-44.43
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1F	REAL300010858157	0	36	-1.0	-49.09	328.42	2.07	-47.02
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C	REAL300010858158	0	48	-1.0	-53.50	397.83	4.92	-48.58
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858159	0	42	-1.0	-54.46	365.08	4.16	-50.30
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858160	0	35	-1.0	-46.99	308.34	3.23	-43.76
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)=C2O1	REAL300010858161	0	40	-1.0	-56.17	347.34	3.29	-52.88
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010858162	0	40	-1.0	-48.49	355.57	2.28	-46.21
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010858163	0	40	-1.0	-52.84	356.59	4.84	-48.00
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858164	0	36	-1.0	-46.61	332.07	3.45	-43.16
CCC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858165	0	37	-1.0	-45.06	332.42	2.47	-42.59
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CC=N1	REAL300010858166	0	37	-1.0	-47.71	345.47	1.70	-46.01
CN1N=CC=C1C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010858167	0	38	-1.0	-48.75	344.76	3.37	-45.38
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)C=C21	REAL300010858168	0	46	-1.0	-57.84	393.80	4.49	-53.35
CN1N=CC=C1C(NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010858169	0	29	-1.0	-50.58	299.72	2.22	-48.36
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010858170	0	32	-1.0	-47.09	316.45	0.89	-46.20
CN1N=CC=C1C(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858171	0	34	-1.0	-41.16	328.66	2.04	-39.12
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CS1	REAL300010858172	0	31	-1.0	-44.46	297.39	0.30	-44.16
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858173	0	37	-1.0	-60.60	326.60	2.17	-58.43
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858174	0	31	-1.0	-45.38	302.98	0.39	-44.99
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C#N)=CC=N1)C(=O)[O-]	REAL300010858175	0	32	-1.0	-45.29	311.25	1.36	-43.93
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858176	0	34	-1.0	-46.99	299.88	-0.29	-47.28
CN1N=CC=C1C(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010858177	0	41	-1.0	-50.38	332.59	2.55	-47.83
CN1N=CC=C1C(NS(=O)(=O)C1=NN=NN1C)C(=O)[O-]	REAL300010858178	0	30	-1.0	-45.30	282.75	-1.06	-46.36
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010858179	0	33	-1.0	-40.62	309.48	1.63	-38.99
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010858180	0	35	-1.0	-61.55	332.09	2.34	-59.21
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010858181	0	35	-1.0	-45.14	325.53	4.12	-41.02
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010858182	0	39	-1.0	-48.26	341.04	2.36	-45.90
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C)=C1F	REAL300010858183	0	41	-1.0	-43.58	345.36	5.06	-38.52
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1OC	REAL300010858184	0	40	-1.0	-55.19	351.63	2.60	-52.59
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010858185	0	41	-1.0	-54.17	354.32	-0.20	-54.37
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010858186	0	33	-1.0	-39.75	335.11	3.76	-35.99
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C#N)C=N1)C(=O)[O-]	REAL300010858187	0	32	-1.0	-50.79	309.80	1.24	-49.55
CN1N=CC=C1C(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010858188	0	35	-1.0	-44.43	303.79	2.49	-41.94
COC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1OC	REAL300010858189	0	40	-1.0	-50.33	355.05	3.13	-47.20
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2CCCC2)=N1	REAL300010858190	0	45	-1.0	-46.67	375.71	3.54	-43.13
CN1N=CC=C1C(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010858191	0	36	-1.0	-56.58	334.35	4.34	-52.24
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2CC2)=N1	REAL300010858192	0	39	-1.0	-46.21	343.63	2.63	-43.58
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010858194	0	36	-1.0	-53.28	327.52	2.21	-51.07
CN1N=CC=C1C(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010858195	0	35	-1.0	-56.53	316.33	1.81	-54.72
CN1N=CC=C1C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010858196	0	37	-1.0	-52.59	329.63	0.99	-51.60
CN1N=CC=C1C(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010858197	0	35	-1.0	-44.43	303.79	2.49	-41.94
CN1N=CC=C1C(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010858199	0	43	-1.0	-49.51	340.40	2.96	-46.55
CN1N=CC=C1C(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010858200	0	35	-1.0	-50.44	320.93	3.01	-47.43
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2CCC2)=N1	REAL300010858201	0	42	-1.0	-46.06	358.32	3.05	-43.01
CN1N=CC=C1C(NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010858202	0	40	-1.0	-43.12	350.24	2.72	-40.40
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858203	0	50	-1.0	-53.64	400.71	6.56	-47.08
CN1N=CC=C1C(NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010858204	0	29	-1.0	-39.82	294.97	2.26	-37.56
CN1N=CC=C1C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010858205	0	42	-1.0	-47.50	368.48	3.48	-44.02
CN1N=CC=C1C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010858206	0	36	-1.0	-54.83	330.66	3.96	-50.87
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300010858207	0	36	-1.0	-47.00	326.40	4.03	-42.97
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010858208	0	43	-1.0	-53.66	388.88	5.51	-48.15
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010858209	0	45	-1.0	-51.11	384.29	1.23	-49.88
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=NC=CC=C2C=C1	REAL300010858210	0	41	-1.0	-68.68	351.93	4.02	-64.66
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858211	0	41	-1.0	-50.37	350.41	4.79	-45.58
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858212	0	38	-1.0	-51.26	350.24	1.11	-50.15
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010858213	0	33	-1.0	-51.26	314.02	3.04	-48.22
CN1N=CC=C1C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010858214	0	39	-1.0	-47.19	340.22	2.36	-44.83
CN1N=CC=C1C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858215	0	36	-1.0	-44.88	342.46	3.93	-40.95
CN1N=CC=C1C(NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C(=O)[O-]	REAL300010858216	0	38	-1.0	-49.50	312.71	1.95	-47.55
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858217	0	38	-1.0	-43.57	319.66	4.38	-39.19
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010858218	0	41	-1.0	-48.44	332.96	2.57	-45.87
CN1N=CC=C1C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010858219	0	41	-1.0	-50.08	353.62	2.36	-47.72
CN1N=CC=C1C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010858220	0	39	-1.0	-50.45	339.50	1.73	-48.72
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CN=C1C(F)(F)F	REAL300010858221	0	37	-1.0	-44.98	336.96	2.40	-42.58
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858222	0	35	-1.0	-38.65	334.28	3.78	-34.87
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010858223	0	35	-1.0	-43.72	322.49	3.66	-40.06
CN1N=CC=C1C(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010858224	0	32	-1.0	-51.28	315.36	3.27	-48.01
CN1N=CC=C1C(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858225	0	32	-1.0	-50.09	325.79	2.85	-47.24
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858226	0	35	-1.0	-49.55	316.67	0.99	-48.56
CN1N=CC=C1C(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010858227	0	37	-1.0	-47.94	316.53	1.87	-46.07
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858228	0	42	-1.0	-48.03	376.68	1.87	-46.16
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010858229	0	29	-1.0	-44.07	298.87	1.58	-42.49
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010858230	0	35	-1.0	-40.75	346.43	4.25	-36.50
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1C	REAL300010858231	0	38	-1.0	-53.60	326.67	4.24	-49.36
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010858232	0	35	-1.0	-58.13	306.02	3.96	-54.17
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858233	0	43	-1.0	-55.69	372.95	4.66	-51.03
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010858234	0	43	-1.0	-45.66	362.07	5.82	-39.84
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010858235	0	42	-1.0	-52.04	374.73	4.53	-47.51
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010858236	0	38	-1.0	-48.35	349.65	3.66	-44.69
CN1N=CC=C1C(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010858237	0	38	-1.0	-50.18	329.50	3.03	-47.15
CN(C1CCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858238	0	37	-1.0	-48.81	302.10	1.58	-47.23
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010858239	0	37	-1.0	-54.09	353.07	3.23	-50.86
CN1N=CC=C1C(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010858240	0	39	-1.0	-58.11	338.89	0.95	-57.16
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NC(C#N)=C1)C(=O)[O-]	REAL300010858241	0	32	-1.0	-41.09	310.65	1.38	-39.71
CN1N=CC=C1C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010858242	0	32	-1.0	-51.81	313.51	3.17	-48.64
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010858243	0	39	-1.0	-52.78	342.96	4.85	-47.93
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=CS1	REAL300010858244	0	33	-1.0	-41.50	295.42	1.63	-39.87
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858245	0	35	-1.0	-50.21	316.46	4.07	-46.14
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858246	0	38	-1.0	-47.92	352.75	2.97	-44.95
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010858247	0	39	-1.0	-45.04	343.90	4.89	-40.15
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010858248	0	42	-1.0	-48.91	351.28	3.07	-45.84
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858249	0	41	-1.0	-47.14	346.63	2.52	-44.62
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858250	0	41	-1.0	-56.01	359.49	0.14	-55.87
CN(C(C)(C)C)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858251	0	39	-1.0	-40.62	311.20	2.10	-38.52
CN1N=CC=C1C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010858252	0	35	-1.0	-56.95	343.03	-0.85	-57.80
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858253	0	41	-1.0	-56.01	359.49	0.14	-55.87
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010858254	0	33	-1.0	-47.54	318.36	3.17	-44.37
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858255	0	35	-1.0	-51.83	307.92	4.00	-47.83
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)O1	REAL300010858256	0	35	-1.0	-53.81	321.01	2.40	-51.41
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858257	0	46	-1.0	-41.27	358.81	3.63	-37.64
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010858258	0	32	-1.0	-43.97	318.34	2.06	-41.91
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=CO1)C(=O)[O-]	REAL300010858259	0	33	-1.0	-49.27	310.30	2.24	-47.03
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(C#N)=N1)C(=O)[O-]	REAL300010858260	0	32	-1.0	-54.27	303.97	1.87	-52.40
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858261	0	36	-1.0	-50.83	335.19	2.68	-48.15
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2CCOCC2)=N1	REAL300010858262	0	46	-1.0	-51.84	388.44	1.80	-50.04
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010858263	0	38	-1.0	-49.20	339.23	4.11	-45.09
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010858264	0	36	-1.0	-46.23	333.74	2.41	-43.82
CN1N=CC=C1C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010858265	0	47	-1.0	-42.66	390.02	5.51	-37.15
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010858266	0	33	-1.0	-49.68	310.50	1.07	-48.61
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=NC=CC=C12	REAL300010858267	0	43	-1.0	-54.78	365.25	5.19	-49.59
CN1N=CC=C1C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010858268	0	40	-1.0	-40.07	350.04	2.95	-37.12
CN1N=CC=C1C(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010858269	0	35	-1.0	-49.30	321.79	1.34	-47.96
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858270	0	42	-1.0	-51.44	362.94	3.27	-48.17
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010858271	0	42	-1.0	-49.42	367.70	3.88	-45.54
CN1N=CC=C1C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010858272	0	45	-1.0	-47.57	380.89	3.80	-43.77
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010858273	0	43	-1.0	-45.60	383.56	5.69	-39.91
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010858274	0	35	-1.0	-53.37	305.93	3.68	-49.69
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858275	0	44	-1.0	-57.17	377.66	5.41	-51.76
CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858276	0	34	-1.0	-45.55	310.94	1.71	-43.84
CN1N=CC=C1C(NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010858277	0	31	-1.0	-55.01	312.18	0.87	-54.14
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010858278	0	33	-1.0	-54.47	320.05	3.20	-51.27
CN1N=CC=C1C(NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010858279	0	36	-1.0	-52.85	327.12	2.09	-50.76
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010858280	1	33	-1.0	-52.46	302.82	0.41	-52.05
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010858281	0	31	-1.0	-43.92	303.67	1.22	-42.70
CN1N=CC=C1C(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010858282	0	44	-1.0	-45.05	377.17	0.52	-44.53
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1Cl	REAL300010858283	0	35	-1.0	-40.21	326.46	1.53	-38.68
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010858284	0	34	-1.0	-46.32	330.59	1.93	-44.39
CN1N=CC=C1C(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010858285	0	37	-1.0	-57.40	343.65	3.81	-53.59
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)O1)C(=O)[O-]	REAL300010858286	0	29	-1.0	-43.92	294.24	1.45	-42.47
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010858287	0	37	-1.0	-54.57	342.65	3.67	-50.90
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010858288	0	34	-1.0	-46.32	330.59	1.93	-44.39
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=CC=CC=C12	REAL300010858289	0	41	-1.0	-54.96	348.22	5.56	-49.40
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010858290	0	39	-1.0	-51.43	343.84	2.96	-48.47
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010858291	0	46	-1.0	-44.20	399.07	4.35	-39.85
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010858292	0	32	-1.0	-48.43	321.87	3.37	-45.06
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)O1	REAL300010858293	0	38	-1.0	-57.86	352.76	-0.99	-58.85
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2=CC=CC=C2)=N1	REAL300010858294	0	42	-1.0	-54.34	361.01	3.99	-50.35
CN1N=CC=C1C(NS(=O)(=O)N1CC2CC1C2)C(=O)[O-]	REAL300010858295	0	35	-1.0	-51.02	297.51	1.48	-49.54
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010858296	0	36	-1.0	-44.73	332.82	4.10	-40.63
CCOCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858297	0	38	-1.0	-41.66	334.05	1.30	-40.36
CN1N=CC=C1C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010858298	0	37	-1.0	-59.78	332.05	-3.51	-63.29
CN1N=CC=C1C(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010858299	0	35	-1.0	-49.59	312.18	3.08	-46.51
CN1N=CC=C1C(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010858300	0	38	-1.0	-51.47	324.19	3.12	-48.35
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010858301	0	34	-1.0	-50.24	316.92	1.97	-48.27
CN1N=CC=C1C(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010858302	0	40	-1.0	-43.89	347.97	-0.02	-43.91
CN1N=CC=C1C(NS(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300010858303	0	37	-1.0	-56.22	317.02	-0.19	-56.41
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C(C2=CC=CC=C2)O1	REAL300010858304	0	41	-1.0	-53.50	365.10	1.94	-51.56
CN1N=CC=C1C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010858305	0	49	-1.0	-53.71	365.18	5.47	-48.24
CN1N=CC=C1C(NS(=O)(=O)CCN1C=NN=N1)C(=O)[O-]	REAL300010858306	0	33	-1.0	-58.14	303.01	0.48	-57.66
CN1N=CC=C1C(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010858307	0	42	-1.0	-55.67	346.22	1.79	-53.88
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858308	0	37	-1.0	-41.97	312.12	-0.51	-42.48
CN1N=CC=C1C(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010858309	0	35	-1.0	-59.09	316.85	-1.73	-60.82
CN1N=CC=C1C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010858310	0	40	-1.0	-46.82	332.15	3.26	-43.56
CN1N=CC=C1C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010858311	0	40	-1.0	-55.07	363.65	-0.40	-55.47
CN1N=CC=C1C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010858312	0	45	-1.0	-54.76	360.54	2.73	-52.03
CN1N=CC=C1C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010858313	0	42	-1.0	-42.10	363.68	5.09	-37.01
CN1N=CC=C1C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010858314	0	36	-1.0	-60.87	336.16	1.63	-59.24
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)=C2C=C1	REAL300010858315	0	41	-1.0	-51.75	375.92	4.74	-47.01
CN1N=CC=C1C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010858316	0	42	-1.0	-42.77	375.02	5.64	-37.13
CN1N=CC=C1C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010858317	0	41	-1.0	-43.71	345.72	0.24	-43.47
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858318	0	41	-1.0	-41.85	357.40	3.50	-38.35
COCCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)CC1	REAL300010858319	0	39	-1.0	-44.04	329.21	1.60	-42.44
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858320	0	34	-1.0	-47.66	315.21	-0.29	-47.95
CN1N=CC=C1C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010858321	0	45	-1.0	-51.34	353.39	4.59	-46.75
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010858322	0	36	-1.0	-51.34	330.47	3.93	-47.41
COC(=O)C1CCCCN1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858323	0	43	-1.0	-51.45	356.81	3.45	-48.00
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858324	0	35	-1.0	-47.03	331.45	3.39	-43.64
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1	REAL300010858325	0	43	-1.0	-46.23	364.38	3.74	-42.49
CCC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858326	0	35	-1.0	-51.14	316.78	0.52	-50.62
CC1=CC=CC(CNS(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858327	0	40	-1.0	-43.54	350.12	2.61	-40.93
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=NN1	REAL300010858328	0	38	-1.0	-45.04	348.44	0.90	-44.14
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1OC	REAL300010858329	0	37	-1.0	-52.01	341.70	1.29	-50.72
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858330	1	35	-1.0	-41.86	341.24	1.96	-39.90
CN1N=CC=C1C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010858331	0	44	-1.0	-43.64	354.99	3.30	-40.34
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858332	0	43	-1.0	-45.02	371.38	4.51	-40.51
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010858333	0	36	-1.0	-55.13	339.17	3.03	-52.10
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(F)=C1	REAL300010858334	0	36	-1.0	-52.20	322.53	2.13	-50.07
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010858335	0	36	-1.0	-46.79	340.00	2.48	-44.31
CN1N=CC=C1C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010858336	0	38	-1.0	-52.03	337.89	2.67	-49.36
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010858337	0	35	-1.0	-50.54	314.87	4.02	-46.52
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010858338	0	29	-1.0	-46.41	318.98	2.86	-43.55
CN1N=CC=C1C(NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010858339	0	32	-1.0	-50.71	314.16	0.82	-49.89
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858340	0	45	-1.0	-50.35	374.54	4.85	-45.50
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010858341	0	37	-1.0	-52.50	338.58	3.26	-49.24
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858342	0	40	-1.0	-53.43	332.86	1.82	-51.61
CC(=O)OC1CCN(C(=O)NC(C(=O)[O-])C2=CC=NN2C)C1	REAL300010858343	0	39	-1.0	-59.39	333.64	4.92	-54.47
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010858344	0	43	-1.0	-49.53	374.67	5.43	-44.10
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010858345	0	38	-1.0	-58.35	322.23	4.46	-53.89
CN1N=CC=C1C(NS(=O)(=O)C1=C(C#N)C=CO1)C(=O)[O-]	REAL300010858346	0	30	-1.0	-42.60	288.52	1.16	-41.44
COC(=O)C1=CNN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858347	0	35	-1.0	-51.32	316.42	0.22	-51.10
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010858348	0	37	-1.0	-43.39	349.35	1.42	-41.97
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010858349	0	33	-1.0	-44.51	330.68	1.51	-43.00
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858350	0	34	-1.0	-48.43	313.07	2.11	-46.32
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858351	0	43	-1.0	-46.31	378.16	4.46	-41.85
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C2CC2)=N1	REAL300010858352	0	42	-1.0	-46.21	365.17	3.49	-42.72
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=NSN=C2C=C1	REAL300010858353	0	36	-1.0	-60.12	325.19	2.03	-58.09
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010858354	0	38	-1.0	-44.33	357.15	5.63	-38.70
CC(=O)OC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C1	REAL300010858355	0	40	-1.0	-52.15	346.84	1.76	-50.39
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C(Cl)S1	REAL300010858356	0	35	-1.0	-51.75	344.21	3.65	-48.10
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858357	0	45	-1.0	-49.63	380.68	3.97	-45.66
CN1N=CC=C1C(NS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300010858358	0	29	-1.0	-49.29	288.31	1.17	-48.12
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010858359	0	29	-1.0	-46.77	295.51	2.12	-44.65
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858360	0	46	-1.0	-56.17	394.42	2.95	-53.22
CN1N=CC=C1C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010858361	0	38	-1.0	-50.86	346.05	5.49	-45.37
CN1N=CC=C1C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010858362	0	40	-1.0	-48.03	343.39	0.47	-47.56
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010858363	0	39	-1.0	-54.72	337.08	5.00	-49.72
CN1N=CC=C1C(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010858364	0	43	-1.0	-49.58	339.49	2.66	-46.92
CN1N=CC=C1C(NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010858365	0	41	-1.0	-44.63	343.89	-0.67	-45.30
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010858366	0	47	-1.0	-51.85	390.16	3.00	-48.85
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858367	0	35	-1.0	-50.76	336.96	0.43	-50.33
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C	REAL300010858368	0	38	-1.0	-47.57	333.35	-0.00	-47.57
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=N1	REAL300010858369	0	41	-1.0	-46.75	357.47	2.98	-43.77
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858370	0	41	-1.0	-50.24	350.73	2.35	-47.89
CN1N=CC=C1C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010858371	0	31	-1.0	-40.23	314.02	0.66	-39.57
CN1N=CC=C1C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010858372	0	42	-1.0	-39.94	344.94	0.30	-39.64
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=NO1	REAL300010858373	0	38	-1.0	-46.57	347.41	0.67	-45.90
CN1N=CC=C1C(NS(=O)(=O)C1=C(C#N)OC=C1)C(=O)[O-]	REAL300010858374	1	30	-1.0	-42.17	287.71	1.00	-41.17
CN1N=CC=C1C(NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010858375	0	30	-1.0	-54.77	298.38	1.87	-52.90
CN1N=CC=C1C(NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010858376	0	30	-1.0	-52.12	307.27	0.56	-51.56
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010858377	0	36	-1.0	-62.03	337.48	0.69	-61.34
CC1=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C(C)S1	REAL300010858378	0	38	-1.0	-43.01	335.64	4.21	-38.80
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010858379	0	31	-1.0	-46.08	293.36	1.36	-44.72
COC1=CC=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858380	0	35	-1.0	-44.66	312.80	0.64	-44.02
CC1=CC=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858381	0	34	-1.0	-52.39	299.18	1.60	-50.79
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010858382	0	34	-1.0	-44.94	329.39	1.94	-43.00
COC1=NC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1Cl	REAL300010858383	0	35	-1.0	-50.04	334.47	0.07	-49.97
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010858384	0	41	-1.0	-57.04	375.98	1.82	-55.22
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858385	0	39	-1.0	-56.67	351.34	0.49	-56.18
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858386	0	36	-1.0	-48.11	350.05	4.76	-43.35
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010858387	0	31	-1.0	-46.00	315.41	1.69	-44.31
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010858388	0	43	-1.0	-53.24	366.08	3.14	-50.10
CC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858389	0	38	-1.0	-46.46	322.72	1.63	-44.83
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=CC=CN=C12	REAL300010858390	0	40	-1.0	-46.96	346.86	4.02	-42.94
COC(=O)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C	REAL300010858391	0	40	-1.0	-47.69	355.17	2.00	-45.69
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858392	0	35	-1.0	-56.97	332.15	4.65	-52.32
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010858393	0	39	-1.0	-47.57	335.63	2.78	-44.79
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010858394	0	39	-1.0	-48.85	341.90	3.87	-44.98
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010858395	0	34	-1.0	-52.81	321.31	1.67	-51.14
CN1N=CC=C1C(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010858396	0	37	-1.0	-50.41	329.64	3.23	-47.18
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=NN1C(C)C	REAL300010858397	0	41	-1.0	-54.53	352.78	2.49	-52.04
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010858398	0	39	-1.0	-51.71	348.23	4.83	-46.88
CN1N=CC=C1C(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010858399	0	34	-1.0	-45.66	321.83	1.86	-43.80
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010858400	0	32	-1.0	-48.28	305.01	3.15	-45.13
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=C1NCCC2	REAL300010858401	0	44	-1.0	-44.32	361.30	3.71	-40.61
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010858402	0	39	-1.0	-52.14	347.48	4.82	-47.32
CN1N=CC=C1C(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010858403	0	29	-1.0	-50.63	303.70	2.33	-48.30
CN1N=CC=C1C(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010858404	0	36	-1.0	-50.31	337.64	3.07	-47.24
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(O)=C1)C(=O)[O-]	REAL300010858405	0	33	-1.0	-51.31	299.39	-0.23	-51.54
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858406	0	34	-1.0	-48.47	317.69	2.17	-46.30
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010858407	0	37	-1.0	-53.71	324.00	3.94	-49.77
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858408	0	41	-1.0	-57.15	355.79	4.49	-52.66
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010858409	0	43	-1.0	-48.17	378.71	6.95	-41.22
CC1=CN=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C)=C1	REAL300010858410	0	37	-1.0	-58.24	327.39	2.39	-55.85
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010858411	0	35	-1.0	-53.98	331.96	3.69	-50.29
CN1N=CC=C1C(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010858412	0	31	-1.0	-41.66	310.82	1.64	-40.02
CC1=CN=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858413	0	34	-1.0	-49.99	298.79	1.73	-48.26
CN1N=CC=C1C(NS(=O)(=O)C1=CSN=C1)C(=O)[O-]	REAL300010858414	0	28	-1.0	-42.29	280.17	0.43	-41.86
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858415	0	34	-1.0	-44.74	308.24	2.20	-42.54
CN1N=CC=C1C(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010858416	0	35	-1.0	-48.38	319.71	2.32	-46.06
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858417	0	40	-1.0	-55.95	341.41	-1.67	-57.62
CN1N=CC=C1C(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010858418	0	39	-1.0	-42.92	319.53	0.86	-42.06
CN1N=CC=C1C(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010858419	0	38	-1.0	-41.50	332.81	2.33	-39.17
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CC=C1Br	REAL300010858420	0	34	-1.0	-45.39	319.11	2.59	-42.80
CN1N=CC=C1C(NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010858421	0	36	-1.0	-59.35	336.06	2.35	-57.00
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010858422	0	36	-1.0	-44.73	332.82	4.10	-40.63
CN1N=CC=C1C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010858423	0	36	-1.0	-44.50	343.14	4.55	-39.95
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010858424	0	41	-1.0	-57.88	368.48	2.20	-55.68
COC1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858425	0	35	-1.0	-48.88	320.07	0.26	-48.62
CN1N=CC=C1C(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010858426	0	39	-1.0	-53.60	340.11	4.82	-48.78
C=CCN(CC=C)S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858427	0	38	-1.0	-39.63	324.97	2.50	-37.13
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(Cl)=C1Cl	REAL300010858428	0	35	-1.0	-51.04	341.22	4.43	-46.61
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010858429	0	36	-1.0	-46.08	338.71	2.48	-43.60
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C(C(F)F)=C1	REAL300010858430	0	39	-1.0	-51.96	337.23	2.55	-49.41
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C1C(=O)OC	REAL300010858431	0	45	-1.0	-46.92	398.47	4.46	-42.46
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=NN3C)C=C2C1	REAL300010858432	0	45	-1.0	-47.11	393.86	5.35	-41.76
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)N=C1	REAL300010858433	0	35	-1.0	-48.33	312.78	0.87	-47.46
CC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858434	0	34	-1.0	-45.91	292.97	1.46	-44.45
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858435	0	38	-1.0	-41.74	354.00	0.87	-40.87
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858436	0	37	-1.0	-55.92	328.57	2.33	-53.59
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858437	0	38	-1.0	-59.78	339.87	4.19	-55.59
CN1N=CC=C1C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010858438	0	37	-1.0	-51.68	326.15	3.12	-48.56
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858439	0	38	-1.0	-48.58	330.75	1.99	-46.59
CN1N=CC=C1C(NC(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010858440	0	40	-1.0	-52.01	324.90	6.95	-45.06
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C2=NC=CC=C12	REAL300010858441	0	40	-1.0	-58.57	344.96	3.79	-54.78
CN1N=CC=C1C(NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010858442	0	28	-1.0	-45.15	292.26	1.01	-44.14
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CC=N1	REAL300010858443	0	34	-1.0	-43.85	311.28	1.67	-42.18
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=CC(C)=N1	REAL300010858444	0	37	-1.0	-49.24	326.86	2.08	-47.16
CN1N=CC=C1C(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010858445	0	34	-1.0	-50.58	304.01	1.06	-49.52
CN1N=CC=C1C(NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010858446	0	34	-1.0	-44.24	330.89	1.34	-42.90
CN1N=CC=C1C(NC(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010858447	0	37	-1.0	-54.38	316.50	6.14	-48.24
CN(CCC1=CC=CC=C1)C(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858448	0	42	-1.0	-56.91	354.07	7.70	-49.21
CN1N=CC=C1C(NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010858449	0	39	-1.0	-54.04	321.43	5.76	-48.28
CN1N=CC=C1C(NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010858450	0	43	-1.0	-55.65	332.55	6.26	-49.39
CN1N=CC=C1C(NC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(=O)[O-]	REAL300010858451	0	46	-1.0	-55.58	339.43	7.00	-48.58
CC1=CC(Cl)=CN=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=NN1C	REAL300010858452	0	34	-1.0	-53.86	322.69	2.24	-51.62
CN1N=CC=C1C(NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010858453	0	34	-1.0	-44.80	311.84	1.92	-42.88
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)C=C(Cl)S1	REAL300010858454	0	32	-1.0	-49.95	314.48	3.09	-46.86
CN1N=CC=C1C(NS(=O)(=O)C1=CN=CS1)C(=O)[O-]	REAL300010858455	0	28	-1.0	-50.98	280.66	-0.11	-51.09
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010858456	0	34	-1.0	-51.25	324.72	1.88	-49.37
CN1N=CC=C1C(NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010858457	0	49	-1.0	-55.41	360.39	7.53	-47.88
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858458	0	45	-1.0	-55.27	379.67	4.68	-50.59
CCN(C(=O)NC(C(=O)[O-])C1=CC=NN1C)C1=CC=CC=C1	REAL300010858459	0	39	-1.0	-57.03	331.73	7.28	-49.75
CN1N=CC=C1C(NC(=O)N1CCCC2=CC=CC=C21)C(=O)[O-]	REAL300010858460	0	40	-1.0	-56.30	319.14	7.13	-49.17
CN1N=CC=C1C(NC(=O)N1CCOC(C2CC2)C1)C(=O)[O-]	REAL300010858461	0	41	-1.0	-52.63	335.78	4.84	-47.79
CC1=CC=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858462	0	36	-1.0	-52.38	320.39	1.05	-51.33
CN1N=CC=C1C(NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010858463	1	37	-1.0	-43.49	343.63	1.98	-41.51
CC[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010858464	0	34	-1.0	-47.32	315.89	5.97	-41.35
CC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010858465	0	28	-1.0	-41.49	277.59	3.68	-37.81
CC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010858466	0	28	-1.0	-43.78	273.05	3.79	-39.99
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858467	0	34	-1.0	-47.57	294.13	4.42	-43.15
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858468	0	37	-1.0	-42.97	330.68	4.62	-38.35
CC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010858469	0	28	-1.0	-51.52	281.45	3.99	-47.53
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858470	0	34	-1.0	-43.71	309.56	3.77	-39.94
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010858471	0	44	-1.0	-47.90	382.40	0.60	-47.30
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010858472	0	45	-1.0	-49.29	393.05	2.78	-46.51
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010858473	0	39	-1.0	-49.36	351.90	1.06	-48.30
CC[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010858474	0	38	-1.0	-47.46	338.19	2.09	-45.37
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010858475	0	30	-1.0	-47.32	294.54	4.17	-43.15
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010858476	0	28	-1.0	-43.47	276.48	4.28	-39.19
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010858477	0	28	-1.0	-49.44	287.60	4.11	-45.33
CC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010858478	0	28	-1.0	-38.92	297.41	4.92	-34.00
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010858479	0	32	-1.0	-41.95	303.95	3.00	-38.95
CC[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010858480	0	39	-1.0	-50.31	322.74	2.05	-48.26
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010858481	0	28	-1.0	-39.54	289.77	4.09	-35.45
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858482	0	34	-1.0	-38.83	334.10	5.08	-33.75
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858483	0	40	-1.0	-46.44	363.57	4.33	-42.11
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858484	0	40	-1.0	-47.96	348.87	5.07	-42.89
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010858485	0	31	-1.0	-39.17	290.28	4.89	-34.28
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010858486	0	31	-1.0	-40.52	293.53	4.21	-36.31
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010858487	0	39	-1.0	-53.98	340.93	1.38	-52.60
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010858488	0	32	-1.0	-41.05	302.28	2.85	-38.20
CC[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010858489	0	43	-1.0	-46.70	329.72	6.14	-40.56
CC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010858490	0	37	-1.0	-49.56	319.13	3.00	-46.56
CC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858491	0	33	-1.0	-47.38	300.50	4.26	-43.12
CC[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010858492	0	25	-1.0	-39.48	267.64	2.77	-36.71
CC[C@H](NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010858493	0	34	-1.0	-41.81	311.34	5.45	-36.36
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010858494	0	32	-1.0	-40.37	287.71	3.78	-36.59
CC[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010858495	0	46	-1.0	-43.97	357.88	6.93	-37.04
CC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010858496	0	44	-1.0	-43.11	355.91	6.84	-36.27
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010858497	0	31	-1.0	-40.39	295.03	4.06	-36.33
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010858498	0	36	-1.0	-44.51	297.55	2.16	-42.35
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010858499	0	36	-1.0	-47.13	315.04	2.27	-44.86
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010858500	0	38	-1.0	-43.87	351.29	2.62	-41.25
CC[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010858501	0	35	-1.0	-45.98	328.65	1.19	-44.79
CC[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010858502	0	38	-1.0	-55.08	321.37	2.71	-52.37
CC[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010858503	0	25	-1.0	-49.35	276.63	3.09	-46.26
CC[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010858504	0	43	-1.0	-42.45	357.50	6.54	-35.91
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010858505	0	38	-1.0	-45.06	328.23	6.44	-38.62
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010858506	0	31	-1.0	-48.78	305.05	4.49	-44.29
CC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858507	0	28	-1.0	-38.84	292.84	4.81	-34.03
CC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010858508	0	43	-1.0	-44.79	346.74	5.85	-38.94
CC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010858509	1	28	-1.0	-39.34	276.36	3.40	-35.94
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010858510	0	31	-1.0	-41.38	288.30	3.73	-37.65
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010858511	0	28	-1.0	-39.02	276.86	3.45	-35.57
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858512	0	31	-1.0	-39.62	309.53	4.53	-35.09
CC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858513	0	31	-1.0	-39.76	298.36	4.09	-35.67
CC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010858514	0	31	-1.0	-40.25	283.00	4.53	-35.72
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010858515	0	39	-1.0	-48.52	361.80	6.46	-42.06
CC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010858516	0	28	-1.0	-39.35	277.19	3.87	-35.48
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010858517	0	34	-1.0	-39.86	296.31	3.53	-36.33
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858518	0	31	-1.0	-38.44	314.47	4.69	-33.75
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010858519	0	28	-1.0	-41.33	283.30	3.72	-37.61
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010858520	0	43	-1.0	-45.54	372.26	5.17	-40.37
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010858521	0	35	-1.0	-45.03	324.21	2.53	-42.50
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010858522	0	44	-1.0	-48.55	364.95	6.33	-42.22
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010858523	0	31	-1.0	-44.20	295.20	4.86	-39.34
CC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010858524	0	31	-1.0	-40.13	310.55	4.72	-35.41
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010858525	0	38	-1.0	-47.25	324.56	4.80	-42.45
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010858526	0	35	-1.0	-43.33	306.54	0.55	-42.78
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010858527	0	36	-1.0	-47.50	318.13	0.44	-47.06
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300010858528	0	46	-1.0	-45.81	393.43	3.06	-42.75
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010858529	0	33	-1.0	-38.46	293.99	4.48	-33.98
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010858530	0	35	-1.0	-60.18	303.85	1.60	-58.58
CC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010858531	0	33	-1.0	-43.22	291.55	4.42	-38.80
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858532	0	34	-1.0	-43.38	325.63	4.22	-39.16
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010858533	0	27	-1.0	-46.14	266.98	2.37	-43.77
CC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010858534	0	37	-1.0	-53.85	339.08	1.23	-52.62
CC[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010858535	0	35	-1.0	-49.43	318.29	2.06	-47.37
CC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010858536	0	42	-1.0	-59.19	345.67	4.60	-54.59
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010858537	0	38	-1.0	-44.11	313.96	3.82	-40.29
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010858538	0	28	-1.0	-39.40	277.18	3.87	-35.53
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010858539	0	39	-1.0	-41.80	337.42	2.55	-39.25
CC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010858540	0	31	-1.0	-40.61	299.92	4.37	-36.24
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010858541	0	28	-1.0	-40.66	292.42	4.13	-36.53
CC[C@H](NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010858542	0	42	-1.0	-46.93	348.59	2.16	-44.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858543	0	36	-1.0	-40.85	312.52	5.38	-35.47
CC[C@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010858544	0	38	-1.0	-44.07	332.87	3.58	-40.49
CC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010858545	0	44	-1.0	-43.71	368.20	5.39	-38.32
CC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010858546	0	42	-1.0	-43.95	350.95	5.29	-38.66
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010858547	0	41	-1.0	-43.14	348.89	4.81	-38.33
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858548	0	38	-1.0	-43.16	328.79	4.12	-39.04
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010858549	0	32	-1.0	-41.95	299.57	2.89	-39.06
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010858550	0	32	-1.0	-43.76	309.32	3.16	-40.60
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010858551	0	41	-1.0	-45.63	345.65	4.66	-40.97
CC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010858552	0	39	-1.0	-45.40	341.27	2.56	-42.84
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858553	0	39	-1.0	-48.84	344.80	2.70	-46.14
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010858554	0	43	-1.0	-46.01	358.72	2.47	-43.54
CC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010858555	0	31	-1.0	-42.93	292.21	4.46	-38.47
CC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010858556	0	34	-1.0	-62.21	327.29	1.04	-61.17
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858557	0	34	-1.0	-45.31	316.41	5.07	-40.24
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858558	0	34	-1.0	-43.35	330.19	4.33	-39.02
CC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010858559	0	32	-1.0	-43.56	293.16	3.54	-40.02
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010858560	0	32	-1.0	-40.04	307.91	4.15	-35.89
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858561	0	45	-1.0	-43.12	392.05	2.21	-40.91
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858562	0	38	-1.0	-48.48	338.39	3.78	-44.70
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010858563	0	37	-1.0	-44.05	327.10	4.27	-39.78
CC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010858564	0	37	-1.0	-51.13	324.99	3.13	-48.00
CC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010858565	0	37	-1.0	-51.58	328.26	4.38	-47.20
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010858566	0	41	-1.0	-50.06	354.98	5.84	-44.22
CC[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010858567	0	36	-1.0	-52.50	320.52	2.44	-50.06
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010858568	0	35	-1.0	-54.10	321.26	4.35	-49.75
CC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010858569	0	34	-1.0	-47.89	310.12	3.43	-44.46
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010858570	0	32	-1.0	-44.34	312.96	3.44	-40.90
CC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010858571	0	38	-1.0	-44.53	347.18	5.02	-39.51
CC[C@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010858572	0	28	-1.0	-38.00	280.35	3.40	-34.60
CC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010858573	0	29	-1.0	-38.68	292.52	3.88	-34.80
CC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010858574	0	36	-1.0	-48.23	305.13	6.04	-42.19
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010858575	0	34	-1.0	-58.83	321.04	4.15	-54.68
CC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010858576	0	37	-1.0	-53.33	329.71	1.46	-51.87
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010858577	0	29	-1.0	-41.02	292.53	3.87	-37.15
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010858578	0	44	-1.0	-47.42	366.26	4.80	-42.62
CC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010858579	0	39	-1.0	-52.38	342.10	3.00	-49.38
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010858580	0	40	-1.0	-48.80	365.31	0.91	-47.89
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010858581	0	34	-1.0	-44.88	311.93	2.50	-42.38
CC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858582	1	30	-1.0	-49.10	282.83	4.77	-44.33
CC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010858583	0	31	-1.0	-39.40	312.09	4.75	-34.65
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C(C)N1	REAL300010858584	0	41	-1.0	-48.36	348.55	3.64	-44.72
CC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010858585	0	28	-1.0	-43.93	273.32	3.95	-39.98
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010858586	0	34	-1.0	-46.61	335.76	3.62	-42.99
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010858587	0	48	-1.0	-43.93	390.89	6.68	-37.25
CC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010858588	0	38	-1.0	-47.01	353.56	2.64	-44.37
CC[C@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010858589	0	28	-1.0	-40.12	281.82	4.13	-35.99
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010858590	0	37	-1.0	-45.35	322.74	4.55	-40.80
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858591	0	30	-1.0	-45.05	290.48	5.06	-39.99
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010858592	0	36	-1.0	-46.15	307.93	1.93	-44.22
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010858593	0	39	-1.0	-44.89	326.24	3.08	-41.81
CC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858594	1	30	-1.0	-41.90	305.46	5.75	-36.15
CC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010858595	0	31	-1.0	-52.10	292.86	3.90	-48.20
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010858596	0	29	-1.0	-41.72	290.73	3.85	-37.87
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1Br)C(=O)[O-]	REAL300010858597	0	34	-1.0	-44.01	327.76	4.43	-39.58
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010858598	0	31	-1.0	-42.33	295.81	4.27	-38.06
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010858599	0	32	-1.0	-40.25	302.40	0.48	-39.77
CC[C@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010858600	0	34	-1.0	-50.47	313.42	1.82	-48.65
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010858601	0	34	-1.0	-43.51	310.67	5.88	-37.63
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010858602	0	33	-1.0	-38.14	301.79	5.04	-33.10
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858603	0	37	-1.0	-44.68	354.23	5.29	-39.39
CC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010858604	0	28	-1.0	-40.37	287.24	3.37	-37.00
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858605	0	33	-1.0	-38.98	316.19	4.75	-34.23
CC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858606	0	34	-1.0	-40.94	319.73	3.80	-37.14
CC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010858607	0	46	-1.0	-42.76	343.38	4.76	-38.00
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010858608	0	36	-1.0	-50.64	300.27	4.64	-46.00
CC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010858609	0	39	-1.0	-46.45	333.46	1.61	-44.84
CC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010858610	0	31	-1.0	-43.60	289.96	4.37	-39.23
CC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010858611	0	34	-1.0	-46.45	310.13	4.71	-41.74
CC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010858612	0	36	-1.0	-43.91	314.35	0.82	-43.09
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010858613	0	34	-1.0	-42.76	311.84	3.82	-38.94
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010858614	0	34	-1.0	-39.54	303.91	4.82	-34.72
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858615	0	34	-1.0	-43.55	327.35	4.18	-39.37
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C2=CC=CC=C12	REAL300010858616	0	41	-1.0	-48.09	347.11	5.70	-42.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858617	0	38	-1.0	-44.50	309.73	4.38	-40.12
CC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010858618	0	33	-1.0	-51.97	302.37	3.20	-48.77
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010858619	0	35	-1.0	-47.26	314.60	4.15	-43.11
CC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010858620	0	42	-1.0	-49.56	374.51	5.16	-44.40
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858621	0	30	-1.0	-42.14	298.43	4.15	-37.99
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858622	0	42	-1.0	-44.88	362.77	3.55	-41.33
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858623	0	44	-1.0	-42.96	371.79	5.68	-37.28
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858624	0	30	-1.0	-47.32	291.38	5.30	-42.02
CC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858625	0	34	-1.0	-44.64	315.62	3.73	-40.91
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858626	0	34	-1.0	-40.11	336.28	4.68	-35.43
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010858627	0	38	-1.0	-44.32	322.70	3.51	-40.81
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010858628	0	31	-1.0	-43.45	304.35	2.74	-40.71
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010858629	0	40	-1.0	-46.08	340.84	5.10	-40.98
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858630	0	37	-1.0	-42.83	324.88	4.21	-38.62
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010858631	0	34	-1.0	-44.60	302.54	3.35	-41.25
CC[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010858632	0	27	-1.0	-41.39	272.61	1.89	-39.50
CC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010858633	0	32	-1.0	-40.90	312.33	4.56	-36.34
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010858634	0	42	-1.0	-40.19	374.53	1.45	-38.74
CC[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010858635	0	28	-1.0	-39.40	281.04	3.69	-35.71
CC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010858636	0	35	-1.0	-55.50	318.72	0.92	-54.58
CC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010858637	0	31	-1.0	-41.22	286.81	4.44	-36.78
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010858638	0	32	-1.0	-42.63	306.21	3.04	-39.59
CC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010858639	0	39	-1.0	-46.48	333.73	4.32	-42.16
CC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010858640	0	36	-1.0	-42.13	335.26	-0.14	-42.27
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CC=C1OC	REAL300010858641	0	45	-1.0	-50.66	387.22	2.23	-48.43
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010858642	0	32	-1.0	-42.46	296.16	2.96	-39.50
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010858643	0	37	-1.0	-52.72	338.11	1.51	-51.21
CC[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010858644	0	30	-1.0	-41.19	302.32	2.94	-38.25
CC[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010858645	0	33	-1.0	-64.45	309.01	3.99	-60.46
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010858646	0	29	-1.0	-39.63	298.41	4.10	-35.53
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1Br	REAL300010858647	0	35	-1.0	-44.53	328.07	3.96	-40.57
CC[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010858648	0	33	-1.0	-41.23	306.62	-1.44	-42.67
CC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010858649	0	42	-1.0	-46.20	368.94	5.04	-41.16
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010858650	0	33	-1.0	-45.62	306.06	3.01	-42.61
CC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010858651	0	36	-1.0	-53.54	318.51	4.28	-49.26
CC[C@H](NS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1)C(=O)[O-]	REAL300010858652	0	44	-1.0	-54.27	392.39	1.77	-52.50
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010858653	0	38	-1.0	-46.94	336.55	3.98	-42.96
CC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010858654	0	33	-1.0	-44.06	304.56	3.24	-40.82
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(C)=C1	REAL300010858655	0	38	-1.0	-43.30	318.90	4.11	-39.19
CC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010858656	0	37	-1.0	-50.34	323.20	5.18	-45.16
CC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010858657	0	32	-1.0	-43.43	275.05	3.05	-40.38
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858658	0	40	-1.0	-42.76	352.18	5.41	-37.35
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300010858659	0	46	-1.0	-52.86	393.43	3.05	-49.81
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010858660	0	34	-1.0	-45.08	317.51	2.95	-42.13
CC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858661	0	34	-1.0	-42.98	317.36	4.73	-38.25
CC[C@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010858662	0	39	-1.0	-40.18	320.16	4.90	-35.28
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010858663	0	27	-1.0	-41.13	275.81	2.01	-39.12
CC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010858664	0	34	-1.0	-47.63	298.48	2.72	-44.91
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010858665	0	31	-1.0	-40.53	289.38	4.54	-35.99
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010858666	0	36	-1.0	-43.44	316.12	2.26	-41.18
CC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010858667	0	44	-1.0	-46.48	369.19	3.96	-42.52
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300010858668	0	36	-1.0	-43.82	330.52	3.01	-40.81
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1OCC	REAL300010858669	0	42	-1.0	-47.46	358.74	4.11	-43.35
CC[C@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010858670	0	34	-1.0	-50.91	302.88	2.09	-48.82
CC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010858671	0	33	-1.0	-49.04	310.18	-1.95	-50.99
CC[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010858672	0	39	-1.0	-54.32	334.09	4.19	-50.13
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010858673	0	42	-1.0	-55.21	349.04	4.71	-50.50
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010858674	0	36	-1.0	-40.91	310.96	5.04	-35.87
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010858675	0	34	-1.0	-43.13	308.82	3.69	-39.44
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010858676	0	39	-1.0	-52.62	335.20	4.15	-48.47
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010858677	0	35	-1.0	-47.16	310.48	1.31	-45.85
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010858678	0	42	-1.0	-45.07	350.94	4.63	-40.44
CC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010858679	0	31	-1.0	-46.67	295.09	3.43	-43.24
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010858680	0	31	-1.0	-42.39	304.17	2.82	-39.57
CC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858681	0	32	-1.0	-39.59	310.68	4.22	-35.37
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858682	0	34	-1.0	-52.66	309.17	1.65	-51.01
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010858683	0	34	-1.0	-43.56	310.59	0.03	-43.53
CC[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010858684	0	34	-1.0	-45.40	307.04	0.29	-45.11
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010858685	0	34	-1.0	-40.28	314.49	0.73	-39.55
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010858686	0	36	-1.0	-50.78	301.43	4.80	-45.98
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858687	0	34	-1.0	-47.83	297.44	3.74	-44.09
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010858688	0	32	-1.0	-40.74	283.14	3.68	-37.06
CC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010858689	0	32	-1.0	-42.93	280.13	3.53	-39.40
CC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010858690	0	33	-1.0	-49.94	310.48	-1.98	-51.92
CC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858691	0	34	-1.0	-45.05	308.82	3.68	-41.37
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010858692	0	40	-1.0	-49.09	364.96	0.94	-48.15
CC[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010858693	0	33	-1.0	-39.19	305.71	4.42	-34.77
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010858694	0	34	-1.0	-47.75	311.79	-0.54	-48.29
CC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010858695	0	34	-1.0	-53.96	317.00	0.58	-53.38
CC[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010858696	0	35	-1.0	-43.33	319.96	2.32	-41.01
CC[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010858697	0	36	-1.0	-47.74	312.29	4.36	-43.38
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010858698	0	34	-1.0	-46.12	308.17	2.99	-43.13
CC[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010858699	0	33	-1.0	-45.12	303.98	4.58	-40.54
CC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858700	0	36	-1.0	-48.65	307.04	5.65	-43.00
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C1	REAL300010858701	0	42	-1.0	-46.32	350.87	3.79	-42.53
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1OC)C(=O)[O-]	REAL300010858702	0	32	-1.0	-41.42	318.53	4.12	-37.30
CC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010858703	0	32	-1.0	-39.86	300.04	2.82	-37.04
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010858704	0	39	-1.0	-49.94	351.80	1.06	-48.88
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858705	0	30	-1.0	-44.57	290.46	5.07	-39.50
CC[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010858706	0	40	-1.0	-54.71	341.88	2.43	-52.28
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010858707	0	38	-1.0	-46.30	319.57	6.86	-39.44
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858708	0	37	-1.0	-45.88	332.96	4.64	-41.24
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010858709	0	28	-1.0	-40.93	277.60	3.69	-37.24
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010858710	0	35	-1.0	-47.73	310.41	1.92	-45.81
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010858711	0	33	-1.0	-41.70	297.19	4.60	-37.10
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858712	0	35	-1.0	-40.34	307.03	4.57	-35.77
CC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010858713	0	34	-1.0	-46.87	300.78	2.21	-44.66
CC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010858714	0	43	-1.0	-42.64	341.38	6.14	-36.50
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010858715	0	28	-1.0	-40.61	288.21	4.03	-36.58
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010858716	0	28	-1.0	-52.02	282.41	4.04	-47.98
CC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858717	0	31	-1.0	-41.10	295.03	4.06	-37.04
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858718	0	31	-1.0	-42.69	273.56	4.37	-38.32
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858719	0	31	-1.0	-39.65	305.93	4.45	-35.20
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010858720	0	31	-1.0	-52.38	304.73	4.54	-47.84
CC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010858721	0	37	-1.0	-49.12	330.44	2.09	-47.03
CC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010858722	0	27	-1.0	-39.22	283.41	2.15	-37.07
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010858723	0	32	-1.0	-56.03	295.78	2.79	-53.24
CC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010858724	0	37	-1.0	-49.29	333.76	6.00	-43.29
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010858725	0	36	-1.0	-44.34	331.71	2.98	-41.36
CC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010858726	0	37	-1.0	-46.81	332.90	4.54	-42.27
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010858727	0	38	-1.0	-47.09	336.01	4.82	-42.27
CC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010858728	0	39	-1.0	-62.02	335.47	4.14	-57.88
CC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010858729	0	29	-1.0	-47.62	289.79	3.80	-43.82
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010858730	0	42	-1.0	-53.42	358.22	2.86	-50.56
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010858731	0	36	-1.0	-43.41	327.82	4.16	-39.25
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010858732	0	33	-1.0	-39.82	300.92	4.34	-35.48
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010858733	0	42	-1.0	-40.15	369.01	5.67	-34.48
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010858734	0	39	-1.0	-54.18	344.04	3.84	-50.34
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)C=C1F)C(=O)[O-]	REAL300010858735	0	34	-1.0	-41.59	320.33	3.86	-37.73
CC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010858736	0	30	-1.0	-46.41	288.31	2.55	-43.86
CC[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010858737	0	38	-1.0	-55.18	334.19	3.75	-51.43
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010858738	0	38	-1.0	-57.72	331.16	2.86	-54.86
CC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010858739	0	40	-1.0	-48.02	330.51	3.61	-44.41
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010858740	0	34	-1.0	-43.46	305.44	2.09	-41.37
CC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010858741	0	37	-1.0	-44.80	329.29	4.71	-40.09
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010858742	0	36	-1.0	-46.91	313.03	1.64	-45.27
CC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010858743	0	36	-1.0	-39.76	310.86	5.30	-34.46
CC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858744	0	34	-1.0	-42.75	308.75	2.45	-40.30
CC[C@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010858745	0	30	-1.0	-46.22	283.19	1.72	-44.50
CC[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010858746	0	36	-1.0	-51.38	315.89	1.52	-49.86
CC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010858747	0	35	-1.0	-47.48	317.46	3.17	-44.31
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010858748	0	39	-1.0	-42.96	336.66	4.88	-38.08
CC[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010858749	0	31	-1.0	-40.19	301.22	4.30	-35.89
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(Br)=C1	REAL300010858750	0	37	-1.0	-42.63	347.34	5.38	-37.25
CC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010858751	0	36	-1.0	-46.82	320.18	0.73	-46.09
CC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010858752	0	38	-1.0	-44.37	311.92	3.92	-40.45
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010858753	0	34	-1.0	-40.92	322.46	1.04	-39.88
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010858754	0	36	-1.0	-44.75	328.81	2.82	-41.93
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010858755	0	39	-1.0	-44.66	331.44	3.24	-41.42
CC[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858756	0	37	-1.0	-48.61	333.44	4.40	-44.21
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])O1	REAL300010858757	0	34	-1.0	-46.59	317.70	2.79	-43.80
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010858758	0	39	-1.0	-46.78	338.27	7.15	-39.63
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010858759	0	38	-1.0	-47.08	342.15	3.98	-43.10
CC[C@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010858760	0	41	-1.0	-46.77	362.75	4.17	-42.60
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010858761	0	38	-1.0	-43.83	318.50	3.97	-39.86
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858762	0	31	-1.0	-43.26	291.56	5.12	-38.14
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858763	0	30	-1.0	-44.92	295.04	5.16	-39.76
CC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858764	0	33	-1.0	-48.78	294.83	5.52	-43.26
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010858765	0	30	-1.0	-39.68	301.28	4.46	-35.22
CC[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010858766	0	25	-1.0	-40.32	262.23	2.59	-37.73
CC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010858767	0	36	-1.0	-47.73	301.76	4.24	-43.49
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010858768	0	36	-1.0	-47.85	309.03	1.90	-45.95
CC[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010858769	0	27	-1.0	-40.56	285.54	2.36	-38.20
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010858770	0	30	-1.0	-39.08	298.44	4.16	-34.92
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858771	0	37	-1.0	-51.52	336.31	1.60	-49.92
CC[C@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858772	0	33	-1.0	-53.66	306.11	3.97	-49.69
CC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858773	0	30	-1.0	-48.24	284.63	4.86	-43.38
CC[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858774	0	30	-1.0	-40.59	290.91	3.83	-36.76
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010858775	0	35	-1.0	-41.88	324.96	3.72	-38.16
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858776	0	30	-1.0	-44.43	295.03	5.17	-39.26
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010858777	0	42	-1.0	-45.24	367.56	6.36	-38.88
CC[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010858778	0	43	-1.0	-49.28	328.42	5.45	-43.83
CC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010858779	0	36	-1.0	-47.26	325.01	-0.67	-47.93
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC)C(=O)[O-])CC1	REAL300010858780	0	41	-1.0	-44.81	344.32	1.94	-42.87
CC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010858781	0	37	-1.0	-46.18	332.21	4.25	-41.93
CC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010858782	0	38	-1.0	-47.28	341.93	4.66	-42.62
CC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010858783	0	50	-1.0	-41.93	388.36	5.88	-36.05
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010858784	0	34	-1.0	-44.19	327.78	4.43	-39.76
CC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010858785	0	36	-1.0	-44.57	329.85	-0.23	-44.80
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010858786	0	35	-1.0	-41.54	307.54	4.05	-37.49
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010858787	0	40	-1.0	-46.81	347.01	4.60	-42.21
CC[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010858788	0	38	-1.0	-45.67	339.90	4.92	-40.75
CC[C@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010858789	0	35	-1.0	-41.10	321.49	1.78	-39.32
CC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010858790	0	35	-1.0	-46.46	315.39	-2.27	-48.73
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010858791	0	33	-1.0	-55.57	311.18	4.68	-50.89
CC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010858792	0	34	-1.0	-48.19	306.71	4.67	-43.52
CC[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010858793	0	25	-1.0	-48.70	280.62	3.22	-45.48
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010858794	0	40	-1.0	-47.52	349.97	5.04	-42.48
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010858795	0	28	-1.0	-42.33	270.54	3.34	-38.99
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858796	0	34	-1.0	-40.89	308.46	4.55	-36.34
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010858797	0	34	-1.0	-44.93	329.12	3.81	-41.12
CC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010858798	0	36	-1.0	-45.32	320.37	2.76	-42.56
CC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010858799	0	31	-1.0	-40.96	301.92	4.36	-36.60
CC[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010858800	0	37	-1.0	-43.23	335.59	5.87	-37.36
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010858801	0	30	-1.0	-38.27	294.90	4.33	-33.94
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858802	0	34	-1.0	-45.40	306.08	4.62	-40.78
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CN=C2S1	REAL300010858803	0	42	-1.0	-43.25	378.52	4.66	-38.59
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010858804	0	28	-1.0	-51.88	286.97	4.15	-47.73
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010858805	0	36	-1.0	-41.60	316.37	3.15	-38.45
CC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010858806	0	36	-1.0	-41.19	323.72	0.45	-40.74
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858807	0	37	-1.0	-43.93	349.64	5.36	-38.57
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1Br)C(=O)[O-]	REAL300010858808	0	34	-1.0	-39.51	329.59	4.49	-35.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CC=C1F	REAL300010858809	0	37	-1.0	-43.58	335.25	4.63	-38.95
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010858810	0	36	-1.0	-49.09	316.29	3.74	-45.35
CC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010858811	0	31	-1.0	-42.39	309.68	5.00	-37.39
CC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010858812	0	34	-1.0	-43.11	317.24	5.83	-37.28
CC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010858813	0	31	-1.0	-43.56	309.63	4.95	-38.61
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010858814	0	34	-1.0	-47.12	302.09	5.91	-41.21
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010858815	0	34	-1.0	-45.54	308.54	5.74	-39.80
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Br)C(=O)[O-]	REAL300010858816	0	32	-1.0	-39.64	312.22	3.52	-36.12
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CC=C2O1	REAL300010858817	0	42	-1.0	-48.39	367.53	5.27	-43.12
CC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010858818	0	34	-1.0	-52.15	321.40	0.60	-51.55
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010858819	0	41	-1.0	-48.76	362.85	4.60	-44.16
CC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010858820	0	39	-1.0	-45.11	351.54	0.05	-45.06
CC[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010858821	1	29	-1.0	-40.75	285.19	3.74	-37.01
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010858822	0	39	-1.0	-43.23	328.65	3.68	-39.55
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010858823	0	33	-1.0	-39.74	309.66	4.97	-34.77
CC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010858824	0	31	-1.0	-54.05	299.06	3.79	-50.26
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010858825	0	34	-1.0	-43.56	310.96	4.93	-38.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858826	0	40	-1.0	-47.73	330.17	3.51	-44.22
CC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010858827	0	34	-1.0	-54.03	317.00	0.58	-53.45
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010858828	0	44	-1.0	-43.61	373.82	0.67	-42.94
CC[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010858829	0	36	-1.0	-50.33	301.51	4.82	-45.51
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010858830	0	43	-1.0	-53.64	378.24	2.19	-51.45
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300010858831	0	38	-1.0	-47.32	330.72	2.73	-44.59
CC[C@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858832	0	37	-1.0	-51.27	319.83	4.78	-46.49
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300010858833	0	47	-1.0	-53.58	381.88	6.92	-46.66
CC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010858834	0	31	-1.0	-45.76	304.54	4.63	-41.13
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010858835	0	35	-1.0	-54.15	319.47	2.24	-51.91
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010858836	0	32	-1.0	-39.99	309.34	3.36	-36.63
CC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010858837	0	40	-1.0	-42.51	340.51	1.95	-40.56
CC[C@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858838	0	31	-1.0	-46.03	303.22	2.78	-43.25
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858839	0	37	-1.0	-43.37	333.26	5.43	-37.94
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010858840	0	39	-1.0	-44.20	361.36	6.46	-37.74
CC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010858841	0	37	-1.0	-45.98	317.96	4.42	-41.56
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858842	0	30	-1.0	-40.76	305.81	4.38	-36.38
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010858843	0	32	-1.0	-41.87	308.89	3.76	-38.11
CC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010858844	0	40	-1.0	-48.83	334.29	3.70	-45.13
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010858845	0	42	-1.0	-45.54	364.16	6.54	-39.00
CC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010858846	0	31	-1.0	-45.79	288.04	0.57	-45.22
CC[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010858847	0	28	-1.0	-40.77	284.09	4.17	-36.60
CC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010858848	0	39	-1.0	-41.68	329.01	2.90	-38.78
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010858849	0	38	-1.0	-45.35	329.53	3.98	-41.37
CC[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010858850	0	28	-1.0	-50.77	287.66	3.14	-47.63
CC[C@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010858851	0	41	-1.0	-49.35	377.38	5.24	-44.11
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(NC(=O)C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300010858852	0	45	-1.0	-56.22	391.02	2.75	-53.47
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010858853	0	34	-1.0	-47.21	320.46	3.68	-43.53
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010858854	0	34	-1.0	-44.88	339.44	4.26	-40.62
CC[C@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010858855	0	28	-1.0	-37.84	277.72	3.07	-34.77
CC[C@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010858856	1	27	-1.0	-41.51	284.30	1.32	-40.19
CC[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010858857	0	32	-1.0	-44.21	309.08	1.94	-42.27
CC[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858858	0	33	-1.0	-52.12	299.32	4.94	-47.18
CC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858859	0	36	-1.0	-51.14	316.31	4.88	-46.26
CC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010858860	0	36	-1.0	-43.21	328.35	5.20	-38.01
CC[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010858861	0	33	-1.0	-44.62	309.85	2.72	-41.90
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010858862	0	46	-1.0	-52.30	380.70	3.52	-48.78
CC[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010858864	0	39	-1.0	-47.66	342.11	4.98	-42.68
CC[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010858865	0	32	-1.0	-44.38	303.64	4.16	-40.22
CC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858866	0	33	-1.0	-42.43	307.09	4.35	-38.08
CC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010858867	0	34	-1.0	-43.51	300.63	4.49	-39.02
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(OC)=C1	REAL300010858868	0	46	-1.0	-45.80	388.23	1.17	-44.63
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010858869	0	43	-1.0	-45.78	365.07	0.66	-45.12
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010858870	1	43	-1.0	-50.48	375.21	0.14	-50.34
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1F	REAL300010858871	0	42	-1.0	-41.87	378.23	1.52	-40.35
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010858872	0	42	-1.0	-49.07	359.93	4.23	-44.84
CC[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010858873	0	31	-1.0	-58.86	290.03	2.84	-56.02
CC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010858874	0	31	-1.0	-42.84	292.21	4.46	-38.38
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010858875	0	39	-1.0	-45.82	354.45	0.69	-45.13
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010858876	0	27	-1.0	-44.25	271.76	2.40	-41.85
CC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010858877	0	39	-1.0	-46.00	342.97	4.07	-41.93
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010858878	0	38	-1.0	-43.91	351.76	7.11	-36.80
CC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010858879	0	31	-1.0	-39.67	308.66	4.78	-34.89
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010858880	0	36	-1.0	-48.51	319.74	1.08	-47.43
CC[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010858881	0	28	-1.0	-38.34	286.09	4.52	-33.82
CC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858882	0	27	-1.0	-37.53	276.35	2.11	-35.42
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010858883	0	33	-1.0	-42.37	304.78	1.87	-40.50
CC[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010858884	0	31	-1.0	-58.09	322.16	0.10	-57.99
CC[C@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010858885	0	47	-1.0	-47.53	408.87	4.01	-43.52
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010858886	0	38	-1.0	-44.57	325.57	3.91	-40.66
CC[C@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010858887	0	42	-1.0	-48.40	389.35	0.66	-47.74
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010858888	0	37	-1.0	-46.73	341.45	2.92	-43.81
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(NC(C)=O)C=C1C)C(=O)[O-]	REAL300010858889	0	38	-1.0	-49.05	342.15	3.43	-45.62
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010858890	0	33	-1.0	-41.13	313.49	4.15	-36.98
CC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010858891	0	39	-1.0	-44.18	360.64	2.05	-42.13
CC[C@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010858892	0	41	-1.0	-43.52	352.46	5.68	-37.84
CC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010858893	0	32	-1.0	-43.23	310.40	4.46	-38.77
CC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010858894	0	36	-1.0	-50.66	302.50	4.64	-46.02
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010858895	0	34	-1.0	-48.54	299.89	4.89	-43.65
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010858896	0	41	-1.0	-56.89	349.42	4.43	-52.46
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010858897	0	34	-1.0	-41.71	324.91	1.16	-40.55
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858898	0	37	-1.0	-43.13	337.17	4.71	-38.42
CCC1=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010858899	0	37	-1.0	-43.00	332.43	3.33	-39.67
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858900	0	41	-1.0	-45.27	365.98	4.68	-40.59
CC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010858901	0	29	-1.0	-50.60	287.06	3.89	-46.71
CC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010858902	0	32	-1.0	-37.93	293.33	3.82	-34.11
CC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010858903	0	48	-1.0	-43.39	374.22	4.78	-38.61
CC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010858904	0	45	-1.0	-57.79	378.29	5.15	-52.64
CC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010858905	0	42	-1.0	-39.61	341.64	3.07	-36.54
CC[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010858906	0	39	-1.0	-42.59	352.90	3.87	-38.72
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010858907	0	30	-1.0	-42.43	291.80	2.39	-40.04
CC[C@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010858908	1	30	-1.0	-45.93	288.11	1.37	-44.56
CC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858909	0	34	-1.0	-43.19	315.30	3.78	-39.41
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010860001	0	34	-1.0	-53.45	306.66	4.70	-48.75
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300010860002	0	46	-1.0	-50.12	389.86	7.62	-42.50
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860003	0	39	-1.0	-51.29	328.28	4.43	-46.86
N#CC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860004	0	36	-1.0	-53.61	323.04	5.13	-48.48
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300010860005	0	35	-1.0	-55.24	309.92	1.51	-53.73
CN1C(=O)CC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860006	0	40	-1.0	-52.21	341.75	4.49	-47.72
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010860007	0	32	-1.0	-47.31	305.79	5.07	-42.24
COC(=O)C1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860008	0	43	-1.0	-54.55	349.29	3.73	-50.82
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860009	0	42	-1.0	-50.04	349.46	4.81	-45.23
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010860010	0	41	-1.0	-52.57	374.44	5.27	-47.30
COCC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860011	0	39	-1.0	-50.24	333.50	3.75	-46.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)N=C3SC=CN32)C1	REAL300010860012	0	32	-1.0	-51.65	308.19	4.00	-47.65
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300010860013	0	41	-1.0	-57.50	356.82	5.88	-51.62
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010860014	0	38	-1.0	-53.28	345.18	4.72	-48.56
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010860015	0	38	-1.0	-51.79	361.90	5.24	-46.55
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C1	REAL300010860016	0	35	-1.0	-52.57	317.05	2.21	-50.36
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2O1	REAL300010860017	0	37	-1.0	-52.97	321.79	1.67	-51.30
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860018	0	44	-1.0	-47.69	334.29	7.25	-40.44
CC1=CC(Br)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860020	0	32	-1.0	-47.45	305.61	4.35	-43.10
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)C1	REAL300010860021	0	37	-1.0	-53.39	341.83	4.88	-48.51
CC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860022	0	41	-1.0	-51.72	340.14	5.95	-45.77
CC1=C(Br)SC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300010860023	1	31	-1.0	-47.16	307.83	2.28	-44.88
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860024	0	37	-1.0	-49.50	327.01	5.67	-43.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)C1	REAL300010860025	0	36	-1.0	-51.13	330.92	2.88	-48.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010860026	0	37	-1.0	-57.85	319.68	5.76	-52.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010860027	0	40	-1.0	-55.84	342.75	5.93	-49.91
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010860028	0	40	-1.0	-56.04	351.59	6.19	-49.85
CC1=NN2C=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=NC2=C1Cl	REAL300010860029	0	37	-1.0	-51.85	335.56	3.81	-48.04
CCCN1C=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860030	0	38	-1.0	-53.06	326.91	4.82	-48.24
CCCCCCN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010860031	0	50	-1.0	-61.47	415.49	4.75	-56.72
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300010860033	0	35	-1.0	-53.29	312.80	4.80	-48.49
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@H]4CC[C@@H](C(=O)[O-])C4)C=CC1=C23	REAL300010860034	0	43	-1.0	-53.90	365.14	5.99	-47.91
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860035	0	36	-1.0	-55.30	328.02	5.15	-50.15
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010860036	0	37	-1.0	-52.14	331.48	5.36	-46.78
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860037	0	38	-1.0	-51.77	329.59	5.63	-46.14
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010860038	0	46	-1.0	-53.82	384.09	5.21	-48.61
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010860039	0	35	-1.0	-61.86	316.50	3.94	-57.92
CC1=CC=C(Br)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860040	0	35	-1.0	-50.60	317.17	5.47	-45.13
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860041	0	35	-1.0	-50.90	313.81	5.31	-45.59
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010860042	0	35	-1.0	-51.39	313.56	4.83	-46.56
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860043	0	43	-1.0	-53.73	378.58	1.68	-52.05
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010860044	0	31	-1.0	-49.21	293.58	3.34	-45.87
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010860045	0	43	-1.0	-51.53	365.80	5.10	-46.43
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010860046	0	35	-1.0	-49.76	335.28	5.80	-43.96
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860047	0	40	-1.0	-64.40	362.90	2.34	-62.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010860048	0	31	-1.0	-47.01	303.92	3.30	-43.71
CCN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N=C1C	REAL300010860049	0	38	-1.0	-55.88	324.35	3.83	-52.05
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860050	0	37	-1.0	-50.96	329.28	2.84	-48.12
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(Cl)S1	REAL300010860051	0	35	-1.0	-53.88	348.37	1.19	-52.69
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010860052	0	40	-1.0	-50.38	331.93	4.64	-45.74
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860053	0	42	-1.0	-49.01	347.26	4.81	-44.20
CC1=C(C)SC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860054	0	35	-1.0	-48.50	312.42	4.47	-44.03
COCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860055	0	39	-1.0	-49.50	333.08	3.70	-45.80
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860056	0	41	-1.0	-53.06	368.45	4.00	-49.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010860057	0	43	-1.0	-48.11	353.75	10.95	-37.16
CC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010860058	0	35	-1.0	-50.76	310.41	5.26	-45.50
CC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010860059	0	37	-1.0	-50.77	334.96	5.03	-45.74
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010860060	0	43	-1.0	-53.11	383.91	3.00	-50.11
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300010860061	0	45	-1.0	-51.20	376.35	6.60	-44.60
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860062	0	36	-1.0	-54.25	336.77	5.44	-48.81
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010860063	0	41	-1.0	-55.06	346.01	7.87	-47.19
CC1(C)CN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300010860064	0	41	-1.0	-48.03	324.50	2.20	-45.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300010860065	0	35	-1.0	-50.18	304.26	2.67	-47.51
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010860066	0	40	-1.0	-58.88	326.16	5.53	-53.35
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010860067	0	38	-1.0	-58.47	328.07	5.51	-52.96
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010860068	0	45	-1.0	-57.17	372.39	5.44	-51.73
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCN2CCOCC2)C1	REAL300010860069	0	44	-1.0	-51.46	351.50	0.93	-50.53
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010860070	0	38	-1.0	-49.38	347.15	2.11	-47.27
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CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010870183	0	31	-1.0	-52.55	300.75	5.76	-46.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010870184	0	37	-1.0	-39.97	342.91	6.53	-33.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1	REAL300010870185	0	43	-1.0	-60.25	376.80	6.04	-54.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC	REAL300010870186	0	43	-1.0	-68.88	354.60	7.29	-61.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010870187	0	31	-1.0	-39.82	278.04	5.25	-34.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010870188	0	34	-1.0	-52.40	298.82	6.21	-46.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300010870189	0	34	-1.0	-53.23	299.15	6.52	-46.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1	REAL300010870190	0	42	-1.0	-51.83	350.77	2.86	-48.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010870191	0	35	-1.0	-48.20	308.30	4.23	-43.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300010870192	0	46	-1.0	-51.80	331.81	7.39	-44.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010870193	0	40	-1.0	-44.11	327.90	4.46	-39.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300010870194	0	36	-1.0	-54.53	304.02	6.51	-48.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010870195	0	28	-1.0	-53.18	275.18	5.15	-48.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl	REAL300010870196	0	37	-1.0	-49.43	315.69	6.78	-42.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300010870197	0	35	-1.0	-41.30	307.36	4.80	-36.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300010870198	0	49	-1.0	-56.33	362.95	8.64	-47.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010870199	0	47	-1.0	-51.19	364.70	8.29	-42.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010870200	0	34	-1.0	-52.60	299.37	6.35	-46.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010870201	0	41	-1.0	-52.43	325.57	6.97	-45.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300010870202	0	39	-1.0	-44.66	316.99	3.55	-41.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300010870203	0	39	-1.0	-45.76	324.65	3.78	-41.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010870204	0	41	-1.0	-53.30	359.55	4.01	-49.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)S1	REAL300010870205	0	38	-1.0	-59.35	334.76	3.53	-55.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010870206	0	39	-1.0	-52.29	312.73	6.71	-45.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(NC(C)=O)=CC=C1C	REAL300010870207	0	41	-1.0	-61.20	324.61	4.95	-56.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010870208	0	28	-1.0	-38.59	279.20	4.42	-34.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300010870209	0	46	-1.0	-51.53	365.76	7.93	-43.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010870210	0	37	-1.0	-45.95	293.14	6.50	-39.45
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010870211	0	41	-1.0	-46.50	340.11	8.00	-38.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010870212	0	34	-1.0	-45.95	307.51	5.96	-39.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010870213	0	31	-1.0	-47.12	297.88	6.21	-40.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300010870214	0	46	-1.0	-51.30	352.74	7.21	-44.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300010870215	0	34	-1.0	-44.98	301.39	5.68	-39.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010870216	0	31	-1.0	-44.76	282.67	4.79	-39.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010870217	0	31	-1.0	-39.70	290.92	4.92	-34.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010870218	0	34	-1.0	-42.42	304.53	5.32	-37.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010870219	0	31	-1.0	-39.68	290.92	4.92	-34.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010870220	0	31	-1.0	-39.59	278.46	4.45	-35.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010870221	0	34	-1.0	-50.47	304.95	6.41	-44.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010870222	0	36	-1.0	-51.84	299.03	5.40	-46.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010870223	0	34	-1.0	-52.49	288.49	5.76	-46.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010870224	0	42	-1.0	-48.59	370.50	7.92	-40.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010870225	0	31	-1.0	-49.41	282.87	5.03	-44.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010870226	0	31	-1.0	-45.05	277.18	5.16	-39.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300010870227	0	37	-1.0	-42.22	311.92	5.40	-36.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300010870228	0	35	-1.0	-43.15	300.80	3.90	-39.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010870229	0	31	-1.0	-56.53	281.94	5.08	-51.45
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010870230	0	31	-1.0	-39.60	292.10	5.19	-34.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300010870231	0	46	-1.0	-55.13	379.70	7.53	-47.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300010870232	0	38	-1.0	-50.68	336.93	4.09	-46.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300010870233	0	47	-1.0	-47.69	364.61	7.41	-40.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300010870234	0	34	-1.0	-43.88	298.97	6.32	-37.56
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010870235	0	34	-1.0	-59.26	317.72	7.19	-52.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300010870236	0	41	-1.0	-47.49	329.73	6.20	-41.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300010870237	0	38	-1.0	-51.52	313.43	1.94	-49.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1	REAL300010870238	0	39	-1.0	-53.93	324.64	1.87	-52.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300010870239	0	36	-1.0	-48.72	298.76	5.85	-42.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1F	REAL300010870240	0	38	-1.0	-50.90	317.63	3.60	-47.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300010870241	0	36	-1.0	-48.99	292.48	5.43	-43.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300010870242	0	37	-1.0	-43.18	336.61	5.67	-37.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010870243	0	30	-1.0	-50.25	282.96	3.29	-46.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010870244	0	40	-1.0	-64.66	347.33	2.63	-62.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300010870245	0	38	-1.0	-59.60	324.27	3.50	-56.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300010870246	0	45	-1.0	-58.82	356.64	6.09	-52.73
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300010870247	0	36	-1.0	-73.93	311.03	1.53	-72.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300010870248	0	41	-1.0	-41.60	314.57	4.78	-36.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010870249	0	31	-1.0	-40.24	275.89	4.86	-35.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010870250	0	42	-1.0	-52.10	346.19	4.00	-48.10
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010870251	0	34	-1.0	-56.72	309.44	5.88	-50.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010870252	0	31	-1.0	-39.55	302.05	5.66	-33.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1	REAL300010870253	0	44	-1.0	-60.66	366.51	4.28	-56.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC	REAL300010870254	0	45	-1.0	-46.37	369.51	3.26	-43.11
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870255	0	39	-1.0	-60.12	313.67	7.36	-52.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300010870256	0	43	-1.0	-51.78	343.99	7.17	-44.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300010870257	0	41	-1.0	-51.88	338.87	4.93	-46.95
CCN(C(C)C(=O)[O-])S(=O)(=O)N(CCOC)CCOC	REAL300010870258	0	43	-1.0	-56.11	345.31	1.97	-54.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300010870259	0	34	-1.0	-39.58	291.77	5.57	-34.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300010870260	0	47	-1.0	-50.82	374.23	6.76	-44.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010870261	0	45	-1.0	-56.66	362.55	7.19	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300010870262	0	44	-1.0	-50.98	355.26	6.15	-44.83
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870263	0	41	-1.0	-51.07	335.69	5.51	-45.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300010870264	0	35	-1.0	-42.89	310.60	4.38	-38.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010870265	0	35	-1.0	-44.86	320.36	4.65	-40.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300010870266	0	38	-1.0	-57.06	316.52	4.73	-52.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300010870267	0	44	-1.0	-56.62	357.08	6.62	-50.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300010870268	0	38	-1.0	-53.19	300.29	4.48	-48.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300010870269	0	42	-1.0	-52.98	347.28	3.92	-49.06
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870270	0	42	-1.0	-62.51	351.41	5.03	-57.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010870271	0	46	-1.0	-56.25	366.93	4.82	-51.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300010870272	0	34	-1.0	-50.32	294.86	5.75	-44.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010870273	0	37	-1.0	-47.73	328.70	2.27	-45.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300010870274	0	37	-1.0	-66.91	316.68	7.15	-59.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010870275	0	36	-1.0	-56.55	301.52	5.73	-50.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)OC)=C1	REAL300010870276	0	37	-1.0	-43.12	341.18	5.77	-37.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300010870277	0	35	-1.0	-51.79	300.99	5.03	-46.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010870278	0	32	-1.0	-39.26	282.36	5.10	-34.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010870279	0	35	-1.0	-48.65	311.66	5.77	-42.88
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870280	0	48	-1.0	-56.11	403.88	3.52	-52.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1	REAL300010870281	0	41	-1.0	-45.95	347.17	5.22	-40.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1	REAL300010870282	0	40	-1.0	-54.12	331.09	6.54	-47.58
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010870283	0	41	-1.0	-53.05	336.82	0.20	-52.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010870284	0	40	-1.0	-58.50	330.98	4.50	-54.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300010870285	0	40	-1.0	-53.16	326.27	5.96	-47.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300010870286	0	40	-1.0	-48.77	323.10	4.46	-44.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300010870287	0	40	-1.0	-58.94	327.94	5.74	-53.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010870288	0	43	-1.0	-54.76	309.93	7.15	-47.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010870289	0	44	-1.0	-48.85	357.28	7.04	-41.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010870290	0	39	-1.0	-64.13	328.52	3.84	-60.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F	REAL300010870291	0	38	-1.0	-53.71	334.05	4.15	-49.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010870292	0	38	-1.0	-50.00	330.07	5.80	-44.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F	REAL300010870293	0	37	-1.0	-49.74	326.13	4.98	-44.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl	REAL300010870294	0	35	-1.0	-46.19	315.73	4.65	-41.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1	REAL300010870295	0	41	-1.0	-42.00	350.94	6.49	-35.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1	REAL300010870296	0	34	-1.0	-39.15	316.50	3.73	-35.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC(Br)=C1	REAL300010870297	0	31	-1.0	-36.60	284.81	4.77	-31.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(=O)OC)=C1	REAL300010870298	0	35	-1.0	-45.30	309.33	2.93	-42.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010870299	0	32	-1.0	-48.30	299.04	5.30	-43.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300010870300	0	39	-1.0	-41.51	296.63	6.56	-34.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300010870301	0	37	-1.0	-45.19	318.22	5.30	-39.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300010870302	0	40	-1.0	-47.67	335.73	2.57	-45.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010870303	0	35	-1.0	-54.91	304.16	6.15	-48.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010870304	0	32	-1.0	-39.24	302.16	5.38	-33.86
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870305	0	47	-1.0	-52.39	374.26	6.18	-46.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010870306	0	42	-1.0	-58.80	350.88	4.48	-54.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010870307	0	43	-1.0	-53.56	372.68	2.45	-51.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300010870308	0	39	-1.0	-54.09	338.92	0.59	-53.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300010870309	0	41	-1.0	-65.30	355.97	4.30	-61.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300010870310	0	34	-1.0	-43.43	305.46	3.39	-40.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)O1	REAL300010870311	0	37	-1.0	-49.53	320.70	3.92	-45.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010870312	0	33	-1.0	-66.09	292.69	6.63	-59.46
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010870313	0	34	-1.0	-54.68	319.86	6.25	-48.43
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C(C)N1	REAL300010870314	0	44	-1.0	-51.27	355.92	5.05	-46.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010870315	0	31	-1.0	-54.90	279.01	5.40	-49.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300010870316	0	37	-1.0	-56.11	339.59	5.91	-50.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010870317	0	51	-1.0	-50.50	396.88	8.04	-42.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010870318	0	41	-1.0	-60.58	357.92	4.94	-55.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010870319	0	31	-1.0	-53.98	287.39	6.42	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300010870320	0	40	-1.0	-42.54	325.43	5.47	-37.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010870321	0	33	-1.0	-60.67	291.74	6.57	-54.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300010870322	0	39	-1.0	-46.10	324.44	3.53	-42.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300010870323	0	42	-1.0	-43.74	328.47	3.95	-39.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010870324	0	33	-1.0	-51.27	304.44	6.72	-44.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010870325	0	34	-1.0	-52.62	301.41	5.48	-47.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010870326	0	32	-1.0	-55.65	278.25	4.57	-51.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010870327	0	32	-1.0	-55.47	288.59	5.03	-50.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1Br	REAL300010870328	0	37	-1.0	-46.89	325.48	5.76	-41.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300010870329	0	34	-1.0	-44.92	305.42	5.77	-39.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010870330	0	35	-1.0	-50.18	308.85	1.91	-48.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(=O)OC)N=C1	REAL300010870331	0	37	-1.0	-57.27	323.01	3.38	-53.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010870332	0	37	-1.0	-42.69	316.77	7.38	-35.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010870333	0	36	-1.0	-49.99	310.34	6.37	-43.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)S1	REAL300010870334	0	31	-1.0	-46.87	296.88	4.92	-41.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300010870335	0	36	-1.0	-39.89	330.53	6.37	-33.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300010870336	0	37	-1.0	-42.12	331.55	5.33	-36.79
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010870337	0	49	-1.0	-42.64	353.02	6.26	-36.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300010870338	0	39	-1.0	-51.28	316.33	5.86	-45.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010870339	0	42	-1.0	-50.93	340.81	3.15	-47.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300010870340	0	34	-1.0	-46.51	289.75	5.45	-41.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300010870341	0	37	-1.0	-45.72	319.25	5.46	-40.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010870342	0	39	-1.0	-51.31	321.70	2.35	-48.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300010870343	0	37	-1.0	-48.57	318.36	5.23	-43.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300010870344	0	37	-1.0	-39.39	308.51	5.92	-33.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300010870345	0	38	-1.0	-58.36	327.05	2.36	-56.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1	REAL300010870346	0	37	-1.0	-41.99	336.98	5.71	-36.28
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010870347	0	44	-1.0	-44.64	343.32	6.76	-37.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870348	0	41	-1.0	-44.15	323.70	5.61	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010870349	0	36	-1.0	-64.97	307.92	5.51	-59.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010870350	0	38	-1.0	-56.56	327.86	5.87	-50.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010870351	0	45	-1.0	-58.58	380.68	6.54	-52.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010870352	0	33	-1.0	-57.70	312.12	6.16	-51.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010870353	0	32	-1.0	-54.90	277.62	4.59	-50.31
CCOCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870354	0	45	-1.0	-53.48	369.67	4.94	-48.54
CCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870355	0	47	-1.0	-50.87	378.16	7.02	-43.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010870356	0	33	-1.0	-63.18	297.33	7.02	-56.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300010870357	0	37	-1.0	-42.74	325.26	5.26	-37.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300010870358	0	37	-1.0	-39.17	339.06	5.89	-33.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300010870359	0	41	-1.0	-44.57	342.13	4.92	-39.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300010870360	0	34	-1.0	-55.43	308.08	5.02	-50.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300010870361	0	43	-1.0	-55.06	342.71	6.39	-48.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300010870362	0	40	-1.0	-46.70	335.90	5.70	-41.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300010870363	0	37	-1.0	-45.89	320.46	4.97	-40.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010870364	0	41	-1.0	-46.05	318.94	7.17	-38.88
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010870365	0	37	-1.0	-55.78	311.06	6.31	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010870366	0	30	-1.0	-52.35	284.05	3.83	-48.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010870367	0	35	-1.0	-48.40	318.70	5.89	-42.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300010870368	0	45	-1.0	-42.62	376.08	2.43	-40.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010870369	0	31	-1.0	-39.56	292.09	5.19	-34.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010870370	0	38	-1.0	-68.87	324.49	2.32	-66.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300010870371	0	34	-1.0	-43.07	287.99	5.46	-37.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300010870372	0	35	-1.0	-42.64	315.00	4.49	-38.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010870373	0	42	-1.0	-51.00	341.13	5.86	-45.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010870374	0	39	-1.0	-43.60	344.63	1.35	-42.25
CCC(=O)NCC1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1OC	REAL300010870375	0	48	-1.0	-61.75	391.53	4.51	-57.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300010870376	0	35	-1.0	-43.36	298.96	4.09	-39.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300010870377	0	40	-1.0	-52.24	347.25	2.94	-49.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010870378	0	33	-1.0	-48.36	311.55	4.46	-43.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300010870379	0	36	-1.0	-49.55	304.66	5.05	-44.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010870380	0	32	-1.0	-42.27	301.90	5.46	-36.81
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1Br	REAL300010870381	0	38	-1.0	-42.83	336.85	5.42	-37.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010870382	0	36	-1.0	-48.77	313.01	-0.11	-48.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010870383	0	45	-1.0	-50.54	375.89	6.44	-44.10
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300010870384	0	40	-1.0	-47.23	330.32	5.13	-42.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300010870385	0	36	-1.0	-58.55	313.55	4.58	-53.97
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010870386	0	39	-1.0	-65.81	325.19	6.72	-59.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1	REAL300010870387	0	47	-1.0	-60.61	398.77	3.10	-57.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010870388	0	37	-1.0	-44.67	303.05	0.86	-43.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010870389	0	41	-1.0	-58.14	347.54	5.65	-52.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010870390	0	36	-1.0	-49.36	313.40	4.68	-44.68
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(C)=C1	REAL300010870391	0	41	-1.0	-53.76	322.85	5.44	-48.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300010870392	0	39	-1.0	-55.63	339.46	0.65	-54.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300010870393	0	40	-1.0	-49.49	332.45	5.98	-43.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010870394	0	35	-1.0	-47.68	293.95	5.00	-42.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300010870395	0	35	-1.0	-51.20	302.51	5.45	-45.75
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870396	0	43	-1.0	-50.52	360.97	6.86	-43.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010870397	0	37	-1.0	-45.11	316.85	4.01	-41.10
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010870398	0	37	-1.0	-61.41	324.36	7.21	-54.20
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870399	0	42	-1.0	-44.42	326.84	6.26	-38.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010870400	0	30	-1.0	-45.21	281.62	3.53	-41.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010870401	0	37	-1.0	-45.21	296.80	3.89	-41.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010870402	0	36	-1.0	-43.64	289.14	4.54	-39.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300010870403	0	34	-1.0	-39.46	296.31	5.67	-33.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010870404	0	39	-1.0	-58.14	320.43	4.54	-53.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010870405	0	47	-1.0	-55.19	377.67	5.42	-49.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Br	REAL300010870406	0	39	-1.0	-43.31	332.36	4.15	-39.16
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1OCC	REAL300010870407	0	45	-1.0	-52.26	365.27	5.53	-46.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010870408	0	37	-1.0	-68.35	310.46	3.68	-64.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010870409	0	36	-1.0	-55.13	317.07	-0.56	-55.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010870410	0	42	-1.0	-50.46	343.42	5.68	-44.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O	REAL300010870411	0	45	-1.0	-58.52	354.69	6.09	-52.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300010870412	0	39	-1.0	-51.73	316.27	6.41	-45.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1	REAL300010870413	0	37	-1.0	-51.24	317.60	5.14	-46.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300010870414	0	42	-1.0	-56.96	346.52	5.71	-51.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NC)C=C1	REAL300010870415	0	38	-1.0	-55.47	318.75	2.70	-52.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010870416	0	35	-1.0	-53.81	296.81	1.20	-52.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O	REAL300010870417	0	45	-1.0	-66.68	361.69	6.33	-60.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1	REAL300010870418	0	34	-1.0	-63.32	296.95	4.66	-58.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)S1	REAL300010870419	0	34	-1.0	-53.61	307.75	5.11	-48.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010870420	0	35	-1.0	-52.16	324.37	6.21	-45.95
CCOC(=O)C1=CNN=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870421	0	37	-1.0	-62.98	319.05	3.03	-59.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010870422	0	37	-1.0	-46.59	322.88	1.64	-44.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010870423	0	37	-1.0	-43.51	315.81	1.75	-41.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010870424	0	37	-1.0	-43.65	318.81	2.07	-41.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300010870425	0	39	-1.0	-52.42	319.04	5.99	-46.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300010870426	0	37	-1.0	-64.38	303.87	5.36	-59.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300010870427	0	35	-1.0	-44.72	300.75	5.25	-39.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010870428	0	35	-1.0	-43.20	299.86	5.16	-38.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010870429	0	36	-1.0	-55.84	317.07	-0.56	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1	REAL300010870430	0	37	-1.0	-58.40	315.41	6.01	-52.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010870431	0	43	-1.0	-61.14	368.61	3.16	-57.98
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010870432	0	36	-1.0	-61.57	318.38	6.27	-55.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300010870433	0	34	-1.0	-50.64	290.19	5.63	-45.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010870434	0	37	-1.0	-62.70	316.13	1.75	-60.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010870435	0	37	-1.0	-57.25	323.53	2.00	-55.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010870436	0	38	-1.0	-54.27	332.92	3.99	-50.28
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010870437	0	39	-1.0	-60.44	333.76	6.26	-54.18
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010870438	0	40	-1.0	-50.40	313.22	5.47	-44.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010870439	0	39	-1.0	-43.91	309.26	5.38	-38.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010870440	0	37	-1.0	-43.93	319.24	4.46	-39.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010870441	0	36	-1.0	-57.18	308.46	6.87	-50.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300010870442	0	39	-1.0	-73.57	312.30	7.85	-65.72
CCOC(=O)C1CCCN(S(=O)(=O)N(CC)C(C)C(=O)[O-])C1	REAL300010870443	0	45	-1.0	-48.84	360.44	5.30	-43.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010870444	0	35	-1.0	-52.63	306.67	5.15	-47.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010870445	0	42	-1.0	-54.86	360.70	2.52	-52.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010870446	0	31	-1.0	-45.34	274.60	5.01	-40.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010870447	0	33	-1.0	-67.56	290.06	7.16	-60.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010870448	0	43	-1.0	-69.48	353.66	4.38	-65.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010870449	0	41	-1.0	-62.65	325.39	9.03	-53.62
CCOC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870450	0	40	-1.0	-57.93	337.31	6.94	-50.99
CCOC(=O)N1CCC(S(=O)(=O)N(CC)C(C)C(=O)[O-])CC1	REAL300010870451	0	45	-1.0	-45.15	353.18	4.25	-40.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010870452	0	31	-1.0	-48.78	284.15	5.11	-43.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010870453	0	33	-1.0	-47.76	290.54	5.09	-42.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010870454	0	37	-1.0	-52.87	308.74	6.77	-46.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010870455	0	38	-1.0	-56.44	318.60	3.36	-53.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300010870456	0	36	-1.0	-39.45	303.26	5.72	-33.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010870457	0	33	-1.0	-69.02	274.35	6.04	-62.98
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870458	0	38	-1.0	-40.38	325.02	5.61	-34.77
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870459	0	38	-1.0	-51.09	314.18	4.71	-46.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010870460	0	37	-1.0	-46.44	310.41	3.74	-42.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300010870461	0	46	-1.0	-41.26	347.01	7.17	-34.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010870462	0	31	-1.0	-39.57	297.84	5.56	-34.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010870463	0	31	-1.0	-40.91	284.70	5.27	-35.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010870464	0	34	-1.0	-49.90	301.38	5.44	-44.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010870465	0	34	-1.0	-58.07	283.87	5.71	-52.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010870466	0	34	-1.0	-50.44	312.52	6.77	-43.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010870467	0	34	-1.0	-39.92	310.50	5.84	-34.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010870468	0	31	-1.0	-39.47	287.68	5.09	-34.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300010870469	0	40	-1.0	-51.24	342.26	3.64	-47.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010870470	0	30	-1.0	-50.03	294.04	3.78	-46.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300010870471	0	35	-1.0	-45.60	293.18	3.92	-41.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300010870472	0	40	-1.0	-50.69	340.31	7.21	-43.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300010870473	0	40	-1.0	-57.57	339.80	5.93	-51.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300010870474	0	41	-1.0	-52.37	345.79	6.33	-46.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300010870475	0	42	-1.0	-57.61	343.93	5.53	-52.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010870476	0	32	-1.0	-53.07	285.84	4.92	-48.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300010870477	0	45	-1.0	-54.73	357.26	4.57	-50.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010870478	0	39	-1.0	-49.46	336.63	5.60	-43.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300010870479	0	36	-1.0	-52.64	312.07	6.22	-46.42
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010870480	0	45	-1.0	-40.69	380.27	7.08	-33.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300010870481	0	34	-1.0	-49.15	304.99	3.25	-45.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300010870482	0	42	-1.0	-51.11	353.66	5.35	-45.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010870483	0	33	-1.0	-55.82	299.29	4.22	-51.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300010870484	0	41	-1.0	-60.25	330.54	4.74	-55.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300010870485	0	41	-1.0	-63.13	340.72	4.34	-58.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010870486	0	43	-1.0	-52.53	336.55	4.97	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300010870487	0	33	-1.0	-46.97	293.00	3.61	-43.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010870488	0	37	-1.0	-53.47	314.21	3.55	-49.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010870489	0	40	-1.0	-56.54	334.58	7.07	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300010870490	0	39	-1.0	-59.74	326.27	3.34	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010870491	0	37	-1.0	-64.75	308.58	6.70	-58.05
CCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1CC	REAL300010870492	0	43	-1.0	-57.66	344.78	7.60	-50.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300010870493	0	39	-1.0	-50.71	317.40	7.18	-43.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300010870494	0	37	-1.0	-40.17	314.48	3.88	-36.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010870495	0	32	-1.0	-38.53	282.84	2.31	-36.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300010870496	0	33	-1.0	-60.39	294.95	3.17	-57.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300010870497	0	37	-1.0	-42.78	312.13	5.85	-36.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010870498	0	39	-1.0	-64.74	326.53	3.14	-61.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300010870499	0	38	-1.0	-63.00	321.41	5.40	-57.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010870500	0	31	-1.0	-40.91	288.24	5.09	-35.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300010870501	0	42	-1.0	-51.62	345.44	6.33	-45.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010870502	0	34	-1.0	-59.66	307.89	6.75	-52.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010870503	0	36	-1.0	-57.61	301.76	1.41	-56.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300010870504	0	34	-1.0	-50.48	287.26	5.69	-44.79
CCOC(=O)C1CCCN1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870505	0	42	-1.0	-45.80	343.88	5.07	-40.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300010870506	0	39	-1.0	-58.03	324.21	2.95	-55.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300010870507	0	41	-1.0	-55.56	316.84	5.74	-49.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010870508	0	39	-1.0	-44.86	331.59	4.03	-40.83
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010870509	0	40	-1.0	-60.20	342.95	5.93	-54.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010870510	0	42	-1.0	-54.04	338.37	4.62	-49.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300010870511	0	40	-1.0	-66.61	340.62	6.88	-59.73
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])O1	REAL300010870512	0	37	-1.0	-43.42	327.33	4.31	-39.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010870513	0	42	-1.0	-58.65	351.51	8.85	-49.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1	REAL300010870514	0	41	-1.0	-57.05	348.70	5.41	-51.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300010870515	0	44	-1.0	-53.99	369.12	5.51	-48.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300010870516	0	41	-1.0	-59.31	319.91	6.10	-53.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010870517	0	35	-1.0	-55.11	303.43	4.87	-50.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010870518	0	34	-1.0	-63.71	294.01	6.74	-56.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010870519	0	33	-1.0	-60.30	296.31	6.67	-53.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300010870520	0	36	-1.0	-74.50	289.95	6.81	-67.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010870521	0	33	-1.0	-44.37	301.34	5.76	-38.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010870522	0	28	-1.0	-52.41	269.47	3.95	-48.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010870523	0	35	-1.0	-50.42	292.44	4.59	-45.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300010870524	0	39	-1.0	-52.89	305.29	5.48	-47.41
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010870525	0	33	-1.0	-56.59	297.59	3.81	-52.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010870526	0	39	-1.0	-49.61	326.47	3.70	-45.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010870527	0	36	-1.0	-47.05	289.30	4.67	-42.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010870528	0	30	-1.0	-40.67	288.27	3.56	-37.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010870529	0	33	-1.0	-37.31	289.82	5.38	-31.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010870530	0	33	-1.0	-45.86	306.71	5.56	-40.30
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870531	0	40	-1.0	-52.42	343.42	3.10	-49.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300010870532	0	36	-1.0	-52.28	306.67	5.25	-47.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010870533	0	33	-1.0	-44.15	294.10	5.67	-38.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010870534	0	33	-1.0	-47.69	298.28	5.35	-42.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010870535	0	38	-1.0	-52.34	333.23	5.11	-47.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010870536	0	33	-1.0	-67.33	294.63	7.26	-60.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010870537	0	45	-1.0	-51.97	373.56	7.70	-44.27
CCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010870538	0	46	-1.0	-63.14	341.88	6.77	-56.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010870539	0	39	-1.0	-47.68	335.00	1.39	-46.29
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870540	0	39	-1.0	-62.78	322.72	6.61	-56.17
CCOC(=O)N1CCN(S(=O)(=O)N(CC)C(C)C(=O)[O-])CC1	REAL300010870541	0	44	-1.0	-52.74	345.23	3.08	-49.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300010870542	0	40	-1.0	-53.85	334.37	5.36	-48.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010870543	0	41	-1.0	-60.14	353.27	6.31	-53.83
CCN(C(C)C(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300010870544	0	53	-1.0	-58.33	406.20	7.70	-50.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br	REAL300010870545	0	37	-1.0	-44.27	321.55	5.37	-38.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010870546	0	39	-1.0	-57.11	339.25	1.06	-56.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010870547	0	37	-1.0	-65.97	332.82	2.57	-63.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300010870548	0	34	-1.0	-43.97	292.49	5.02	-38.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300010870549	0	38	-1.0	-41.74	327.01	5.43	-36.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010870550	0	43	-1.0	-52.17	354.38	6.15	-46.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300010870551	0	41	-1.0	-56.05	346.92	6.46	-49.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300010870552	0	38	-1.0	-42.96	339.73	3.67	-39.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300010870553	0	38	-1.0	-60.57	326.50	-0.75	-61.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300010870554	0	34	-1.0	-43.18	292.49	5.03	-38.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300010870555	0	36	-1.0	-39.90	317.56	6.03	-33.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300010870556	0	37	-1.0	-57.88	317.03	5.89	-51.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010870557	0	28	-1.0	-38.74	283.84	4.52	-34.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010870558	0	43	-1.0	-59.51	361.02	6.72	-52.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010870559	0	31	-1.0	-43.14	287.05	4.94	-38.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300010870560	0	37	-1.0	-58.08	322.16	6.55	-51.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010870561	0	37	-1.0	-44.56	337.94	5.27	-39.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300010870562	0	39	-1.0	-47.61	332.25	4.32	-43.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300010870563	0	38	-1.0	-58.94	333.04	5.13	-53.81
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010870564	0	34	-1.0	-41.63	315.24	5.91	-35.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300010870565	0	35	-1.0	-47.54	305.35	1.55	-45.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010870566	0	40	-1.0	-53.93	343.85	7.27	-46.66
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010870567	0	33	-1.0	-56.59	297.59	3.81	-52.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010870568	0	33	-1.0	-39.52	297.65	5.46	-34.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300010870569	0	37	-1.0	-66.92	306.34	6.71	-60.21
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010870570	0	34	-1.0	-55.29	299.46	5.62	-49.67
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010870572	0	38	-1.0	-57.58	334.14	5.05	-52.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010870573	0	31	-1.0	-42.09	285.09	5.23	-36.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300010870574	0	39	-1.0	-41.74	337.39	4.23	-37.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010870575	0	39	-1.0	-48.67	332.21	1.97	-46.70
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1F	REAL300010870576	0	40	-1.0	-50.93	343.51	6.03	-44.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010870577	0	39	-1.0	-69.54	317.98	5.91	-63.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010870578	0	34	-1.0	-54.77	322.93	6.69	-48.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300010870579	0	37	-1.0	-41.47	323.37	7.29	-34.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010870580	0	34	-1.0	-46.34	311.18	6.19	-40.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010870581	0	37	-1.0	-49.21	303.71	7.21	-42.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010870582	0	37	-1.0	-47.70	309.83	6.99	-40.71
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2O1	REAL300010870583	0	45	-1.0	-48.86	378.60	6.75	-42.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010870584	0	37	-1.0	-54.89	327.95	2.03	-52.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010870585	0	44	-1.0	-56.62	368.84	5.95	-50.67
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010870586	0	42	-1.0	-60.00	362.13	1.50	-58.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010870587	0	32	-1.0	-51.28	292.61	5.27	-46.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300010870588	0	42	-1.0	-51.39	337.45	5.13	-46.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300010870589	0	36	-1.0	-36.81	307.84	5.89	-30.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010870590	0	34	-1.0	-63.41	294.34	4.99	-58.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300010870591	0	37	-1.0	-60.70	317.85	6.52	-54.18
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870592	0	43	-1.0	-49.20	335.46	4.92	-44.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010870593	0	37	-1.0	-57.63	323.00	1.96	-55.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300010870594	0	47	-1.0	-63.16	387.41	2.70	-60.46
CCOC(=O)C1CCN(S(=O)(=O)N(CC)C(C)C(=O)[O-])CC1	REAL300010870595	0	45	-1.0	-60.39	353.53	5.98	-54.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300010870596	0	39	-1.0	-53.80	316.81	6.62	-47.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010870597	0	46	-1.0	-57.55	384.77	3.62	-53.93
CCC(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870598	0	41	-1.0	-56.24	339.21	4.20	-52.04
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010870599	0	34	-1.0	-58.12	310.19	5.80	-52.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010870600	0	32	-1.0	-65.40	271.86	5.17	-60.23
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(=O)OC	REAL300010870601	0	40	-1.0	-62.10	330.15	6.21	-55.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010870602	0	31	-1.0	-40.92	274.38	4.83	-36.09
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870603	0	50	-1.0	-72.85	390.37	7.44	-65.41
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010870604	0	34	-1.0	-55.20	312.79	6.06	-49.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300010870605	0	38	-1.0	-52.78	337.69	3.94	-48.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010870606	0	39	-1.0	-56.91	324.35	5.35	-51.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300010870607	0	35	-1.0	-41.25	313.58	4.67	-36.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300010870608	0	43	-1.0	-58.08	340.54	2.90	-55.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300010870609	0	34	-1.0	-56.55	314.23	4.38	-52.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300010870610	0	40	-1.0	-66.05	339.05	7.64	-58.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010870611	0	42	-1.0	-51.24	368.32	7.82	-43.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300010870612	0	40	-1.0	-51.00	319.33	5.45	-45.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010870613	0	33	-1.0	-54.09	316.80	6.03	-48.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300010870614	0	35	-1.0	-47.33	316.84	5.34	-41.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300010870615	0	43	-1.0	-49.42	341.15	5.07	-44.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010870616	0	33	-1.0	-54.38	287.88	5.99	-48.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300010870617	0	45	-1.0	-51.52	372.74	7.93	-43.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300010870618	0	38	-1.0	-44.74	308.95	4.92	-39.82
CCN(C(C)C(=O)[O-])S(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010870619	0	45	-1.0	-59.62	388.73	3.41	-56.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010870620	0	34	-1.0	-42.80	297.67	2.09	-40.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010870621	0	39	-1.0	-58.88	330.15	5.16	-53.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010870622	0	31	-1.0	-48.65	290.64	5.58	-43.07
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300010870623	0	42	-1.0	-47.75	336.38	4.32	-43.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300010870624	0	41	-1.0	-46.13	338.68	5.39	-40.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300010870625	0	40	-1.0	-51.66	357.87	5.59	-46.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300010870626	0	38	-1.0	-58.44	315.75	5.08	-53.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010870627	0	31	-1.0	-50.03	292.54	4.72	-45.31
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010870628	0	40	-1.0	-46.03	343.59	6.39	-39.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010870629	0	37	-1.0	-52.76	331.54	5.20	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010870630	0	37	-1.0	-44.34	349.08	5.80	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCC(F)(F)F	REAL300010870631	0	34	-1.0	-53.33	301.07	2.63	-50.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300010870632	0	36	-1.0	-50.85	303.39	2.12	-48.73
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870633	0	43	-1.0	-44.49	315.83	7.40	-37.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C)S1	REAL300010870635	0	31	-1.0	-40.50	296.15	4.91	-35.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010870636	0	36	-1.0	-50.73	323.26	5.13	-45.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=NC(C)=C(Br)S1	REAL300010870637	0	30	-1.0	-41.79	293.46	2.75	-39.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C	REAL300010870638	0	36	-1.0	-36.97	299.91	5.55	-31.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010870639	0	35	-1.0	-49.15	315.03	3.30	-45.85
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010870640	0	36	-1.0	-64.92	304.37	6.28	-58.64
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010870641	0	39	-1.0	-63.85	331.89	6.99	-56.86
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010870642	0	39	-1.0	-57.83	336.12	6.68	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300010870643	0	36	-1.0	-53.34	327.66	4.69	-48.65
CCCCCCN1C=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(=O)NC1=O	REAL300010870644	0	49	-1.0	-55.13	399.65	5.43	-49.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010870645	0	31	-1.0	-50.21	294.23	5.20	-45.01
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010870646	0	34	-1.0	-58.44	297.03	5.30	-53.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010870647	0	42	-1.0	-50.79	340.69	6.37	-44.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010870648	0	35	-1.0	-60.23	314.30	5.68	-54.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300010870649	0	36	-1.0	-50.25	316.72	5.92	-44.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300010870650	0	37	-1.0	-60.47	309.40	6.11	-54.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300010870651	0	46	-1.0	-55.00	378.48	2.37	-52.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300010870652	1	46	-1.0	-54.67	375.52	1.98	-52.69
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1F	REAL300010870653	0	45	-1.0	-43.00	387.59	3.03	-39.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010870654	0	45	-1.0	-50.38	371.83	5.79	-44.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010870655	0	34	-1.0	-74.81	286.06	4.72	-70.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300010870656	0	34	-1.0	-44.41	295.05	5.63	-38.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300010870657	0	34	-1.0	-44.36	293.17	5.50	-38.86
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010870658	0	34	-1.0	-41.51	300.35	5.35	-36.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300010870659	0	42	-1.0	-42.83	366.10	2.24	-40.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010870660	0	30	-1.0	-43.57	279.46	3.80	-39.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12	REAL300010870661	0	42	-1.0	-42.54	339.67	5.14	-37.40
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010870662	0	34	-1.0	-40.59	322.52	6.40	-34.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010870663	0	39	-1.0	-51.74	333.98	2.75	-48.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010870664	0	31	-1.0	-47.66	290.75	5.84	-41.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010870665	0	30	-1.0	-44.78	281.73	3.60	-41.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300010870666	0	36	-1.0	-53.49	318.03	3.57	-49.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010870667	0	34	-1.0	-47.80	330.13	1.57	-46.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010870668	0	50	-1.0	-64.72	415.00	6.34	-58.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010870669	0	39	-1.0	-52.14	316.54	5.12	-47.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300010870670	0	41	-1.0	-50.88	332.12	5.34	-45.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300010870671	0	45	-1.0	-63.20	396.88	3.05	-60.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300010870672	0	38	-1.0	-52.49	317.38	4.16	-48.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010870673	0	40	-1.0	-67.76	340.96	4.74	-63.02
CCN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300010870674	0	42	-1.0	-52.85	320.87	10.52	-42.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300010870675	0	34	-1.0	-47.06	286.80	5.28	-41.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300010870676	0	36	-1.0	-48.58	319.62	5.50	-43.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010870677	0	42	-1.0	-58.17	365.02	4.25	-53.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300010870678	0	44	-1.0	-58.52	358.00	7.96	-50.56
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010870679	0	35	-1.0	-49.14	323.64	5.99	-43.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010870680	0	40	-1.0	-61.97	327.49	7.94	-54.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010870681	0	34	-1.0	-47.53	291.16	3.17	-44.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300010870682	0	39	-1.0	-60.77	311.52	5.97	-54.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010870683	0	37	-1.0	-65.47	306.57	5.79	-59.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21	REAL300010870684	0	44	-1.0	-57.18	355.90	5.98	-51.20
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300010870685	0	43	-1.0	-42.27	339.01	1.58	-40.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010870686	0	37	-1.0	-48.44	332.27	2.70	-45.74
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870687	0	40	-1.0	-45.62	348.99	6.24	-39.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300010870688	0	38	-1.0	-50.14	302.19	4.26	-45.88
CCC1=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010870689	0	40	-1.0	-56.59	334.70	5.65	-50.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010870690	0	48	-1.0	-57.60	373.79	6.29	-51.31
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870691	0	44	-1.0	-50.16	370.87	6.30	-43.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010870692	0	32	-1.0	-47.75	290.38	5.35	-42.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300010870693	0	35	-1.0	-38.27	314.50	4.92	-33.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010870694	0	38	-1.0	-51.13	311.70	4.64	-46.49
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010870695	0	36	-1.0	-48.70	312.43	4.67	-44.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010870696	0	51	-1.0	-48.78	385.07	6.28	-42.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010870697	0	45	-1.0	-61.74	352.28	5.60	-56.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010870698	0	42	-1.0	-59.87	355.10	5.95	-53.92
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=N1	REAL300010870699	0	37	-1.0	-54.96	316.33	2.36	-52.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010870700	0	33	-1.0	-51.45	302.03	3.98	-47.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300010870701	0	33	-1.0	-63.68	305.09	3.15	-60.53
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CC1=CC=CC(CNS(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884001	0	40	-1.0	-46.22	345.78	4.85	-41.37
CCOC(=O)C1=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=NN1	REAL300010884002	0	38	-1.0	-50.59	348.49	2.81	-47.78
COC1=CSC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300010884003	0	37	-1.0	-45.52	331.80	2.72	-42.80
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884004	1	35	-1.0	-46.64	342.85	4.28	-42.36
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010884005	0	44	-1.0	-46.98	348.73	5.48	-41.50
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884006	0	43	-1.0	-48.09	368.20	6.92	-41.17
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010884007	0	36	-1.0	-50.30	335.32	5.96	-44.34
COC1=CC(F)=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300010884008	0	36	-1.0	-50.32	326.26	4.60	-45.72
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010884009	0	36	-1.0	-49.14	333.78	4.66	-44.48
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884010	0	38	-1.0	-52.51	332.71	4.95	-47.56
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010884011	0	35	-1.0	-54.06	314.14	6.45	-47.61
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010884012	0	41	-1.0	-51.25	367.20	5.50	-45.75
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010884013	0	29	-1.0	-43.55	313.37	5.11	-38.44
CN1N=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300010884014	0	32	-1.0	-47.97	299.65	2.69	-45.28
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884015	0	45	-1.0	-56.22	377.93	7.29	-48.93
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010884016	0	37	-1.0	-51.43	339.76	5.65	-45.78
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884017	0	40	-1.0	-55.79	338.46	4.52	-51.27
CC(=O)OC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300010884018	0	39	-1.0	-60.39	327.85	7.07	-53.32
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010884019	0	43	-1.0	-53.59	376.98	7.84	-45.75
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884020	0	38	-1.0	-51.51	320.06	6.85	-44.66
N#CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])OC=C1	REAL300010884021	0	30	-1.0	-52.09	290.13	3.48	-48.61
COC(=O)C1=CNN=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884022	0	35	-1.0	-56.81	317.11	2.57	-54.24
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010884023	0	37	-1.0	-51.90	343.13	3.60	-48.30
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010884024	0	33	-1.0	-49.83	323.38	3.88	-45.95
CC1=CC(Cl)=NC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884025	0	34	-1.0	-42.16	314.93	4.52	-37.64
C=C(C)COC1=CC=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884026	0	43	-1.0	-52.78	371.93	6.63	-46.15
CCN1C=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300010884027	0	42	-1.0	-51.88	353.46	5.24	-46.64
CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C2=NSN=C2C=C1	REAL300010884028	0	36	-1.0	-50.02	326.31	4.40	-45.62
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010884029	0	38	-1.0	-48.16	350.93	7.79	-40.37
CC(=O)OC1CCN(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300010884030	0	40	-1.0	-53.76	348.18	4.17	-49.59
COC(=O)C1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300010884031	0	35	-1.0	-48.47	343.72	6.03	-42.44
CCC1=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300010884032	0	38	-1.0	-46.50	347.32	6.88	-39.62
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884033	0	45	-1.0	-47.73	369.76	5.90	-41.83
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=C(Cl)OC=C1	REAL300010884034	0	29	-1.0	-47.94	278.56	3.14	-44.80
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CS1	REAL300010884035	0	29	-1.0	-45.80	297.10	4.52	-41.28
COCCC1=CC=C(OC)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884036	0	46	-1.0	-51.27	385.39	5.34	-45.93
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010884037	0	38	-1.0	-50.79	335.64	7.31	-43.48
CN1N=C2CCOCC2=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884038	0	40	-1.0	-51.27	339.00	2.67	-48.60
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010884039	0	39	-1.0	-47.31	330.73	7.24	-40.07
CC1(C)CCN(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300010884040	0	43	-1.0	-45.84	335.47	4.88	-40.96
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CCC(CO)CC1	REAL300010884041	0	41	-1.0	-45.30	332.66	1.30	-44.00
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010884042	0	47	-1.0	-49.30	390.19	5.39	-43.91
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884043	0	35	-1.0	-48.16	323.44	2.71	-45.45
COC1=NC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300010884044	0	38	-1.0	-49.45	335.61	2.43	-47.02
CC(C)CN1C=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300010884045	0	41	-1.0	-48.86	351.25	5.16	-43.70
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884046	0	41	-1.0	-50.99	349.43	4.67	-46.32
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010884047	0	31	-1.0	-51.78	315.65	2.98	-48.80
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010884048	0	42	-1.0	-46.68	347.61	2.70	-43.98
COCC1=CC(CS(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=NO1	REAL300010884049	0	38	-1.0	-52.37	342.64	2.89	-49.48
N#CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=CO1	REAL300010884050	0	30	-1.0	-48.82	282.97	2.92	-45.90
N#CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300010884051	0	30	-1.0	-42.74	290.89	4.04	-38.70
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010884052	0	30	-1.0	-49.70	301.33	2.81	-46.89
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300010884053	0	36	-1.0	-54.96	336.74	3.04	-51.92
CC1=C(C)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C(C)S1	REAL300010884054	0	38	-1.0	-47.66	331.55	6.45	-41.21
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=CC=C1Cl	REAL300010884055	0	31	-1.0	-51.03	295.98	3.76	-47.27
COC1=CC=NC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884056	0	35	-1.0	-50.75	304.41	2.97	-47.78
CC1=CC=NC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884057	0	34	-1.0	-44.76	297.61	4.09	-40.67
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010884058	0	34	-1.0	-49.68	323.45	4.12	-45.56
COC1=NC=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300010884059	0	35	-1.0	-49.01	317.10	1.80	-47.21
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300010884060	0	41	-1.0	-51.51	364.40	3.72	-47.79
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884061	0	39	-1.0	-59.88	341.64	3.16	-56.72
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010884062	0	36	-1.0	-46.19	351.16	7.13	-39.06
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010884063	0	31	-1.0	-51.39	309.19	3.86	-47.53
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])N=C1	REAL300010884064	0	43	-1.0	-53.71	360.69	5.39	-48.32
CC(C)N1N=CC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884065	0	38	-1.0	-56.33	331.36	4.09	-52.24
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C2=CC=CN=C12	REAL300010884066	0	40	-1.0	-50.30	344.06	6.30	-44.00
COC(=O)C1=NC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300010884067	0	40	-1.0	-49.78	355.07	4.39	-45.39
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884068	0	35	-1.0	-51.97	325.77	6.90	-45.07
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010884069	0	39	-1.0	-48.16	336.93	5.17	-42.99
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010884070	0	39	-1.0	-49.53	335.99	5.90	-43.63
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010884071	0	34	-1.0	-51.41	316.50	3.92	-47.49
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300010884072	0	37	-1.0	-55.94	323.40	5.41	-50.53
CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300010884073	0	41	-1.0	-45.96	349.12	4.76	-41.20
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010884074	0	39	-1.0	-51.48	348.15	7.20	-44.28
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010884075	0	34	-1.0	-49.93	315.63	4.03	-45.90
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010884076	0	32	-1.0	-45.89	305.04	5.53	-40.36
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C2=C1NCCC2	REAL300010884077	0	44	-1.0	-46.58	356.20	5.97	-40.61
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300010884078	0	46	-1.0	-50.00	397.11	8.57	-41.43
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010884079	0	39	-1.0	-49.05	349.81	7.26	-41.79
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CSC=C1Br	REAL300010884080	0	29	-1.0	-46.20	285.36	4.07	-42.13
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010884081	0	36	-1.0	-50.27	331.54	5.15	-45.12
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(O)=C1	REAL300010884082	0	33	-1.0	-51.79	299.31	2.16	-49.63
CC1=CC(Br)=NC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884083	0	34	-1.0	-42.17	319.57	4.60	-37.57
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010884084	0	37	-1.0	-53.84	324.89	5.52	-48.32
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884085	0	41	-1.0	-48.22	352.35	6.86	-41.36
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010884086	0	43	-1.0	-52.06	372.51	9.13	-42.93
CC1=CN=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300010884087	0	37	-1.0	-54.92	315.60	4.36	-50.56
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010884088	0	35	-1.0	-50.64	318.76	5.63	-45.01
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010884089	0	31	-1.0	-45.84	304.62	3.81	-42.03
CC1=CN=CC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884090	0	34	-1.0	-44.93	297.41	4.09	-40.84
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010884091	0	34	-1.0	-51.89	310.54	4.59	-47.30
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CC=C(Br)CC1	REAL300010884092	0	35	-1.0	-44.18	319.74	4.73	-39.45
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884093	0	40	-1.0	-47.23	342.43	0.71	-46.52
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CC2CCC(C1)O2	REAL300010884094	0	39	-1.0	-47.87	319.52	3.13	-44.74
N#CC1CCN(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300010884095	0	38	-1.0	-51.00	321.34	4.27	-46.73
CC1=NC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300010884096	0	34	-1.0	-51.04	323.88	4.24	-46.80
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010884097	0	36	-1.0	-58.46	336.17	4.27	-54.19
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010884098	0	36	-1.0	-47.19	326.61	6.26	-40.93
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010884099	0	36	-1.0	-47.06	336.93	6.71	-40.35
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884100	0	41	-1.0	-55.57	368.39	4.59	-50.98
COC1=CC=NC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884101	0	35	-1.0	-53.46	313.89	2.43	-51.03
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010884102	0	39	-1.0	-51.27	337.16	7.12	-44.15
C=CCN(CC=C)S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884103	0	38	-1.0	-45.76	328.79	4.91	-40.85
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300010884104	0	35	-1.0	-48.30	323.96	6.11	-42.19
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010884105	0	36	-1.0	-45.36	332.53	4.56	-40.80
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C(C(F)F)=C1	REAL300010884106	0	39	-1.0	-50.45	333.47	5.61	-44.84
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1C(=O)OC	REAL300010884107	0	45	-1.0	-53.60	392.23	6.63	-46.97
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2C1	REAL300010884108	0	45	-1.0	-54.93	387.67	7.53	-47.40
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])N=C1	REAL300010884109	0	35	-1.0	-50.20	313.71	2.37	-47.83
CC1=CC=CN=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884110	0	34	-1.0	-49.62	299.16	3.91	-45.71
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884111	0	38	-1.0	-47.67	345.57	3.17	-44.50
COC(=O)C1=CC=NC=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884112	0	37	-1.0	-50.49	325.62	4.68	-45.81
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884113	0	38	-1.0	-54.93	336.61	6.66	-48.27
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010884114	0	37	-1.0	-49.37	324.48	5.45	-43.92
CCOC1=CC=CN=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884115	0	38	-1.0	-55.14	333.19	4.31	-50.83
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2=CC=CC=C2C1	REAL300010884116	0	40	-1.0	-55.76	324.81	9.26	-46.50
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C12	REAL300010884117	0	40	-1.0	-57.23	338.25	6.66	-50.57
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=C(Br)C=NS1	REAL300010884118	0	28	-1.0	-43.88	292.24	3.42	-40.46
CC1=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=N1	REAL300010884119	0	34	-1.0	-48.39	305.08	3.82	-44.57
CC1=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=CC(C)=N1	REAL300010884120	0	37	-1.0	-49.09	326.71	4.44	-44.65
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CCC(F)(F)C1	REAL300010884121	0	34	-1.0	-49.25	305.29	3.50	-45.75
NC1=CC(Br)=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884122	0	34	-1.0	-47.14	324.66	3.51	-43.63
CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884123	0	42	-1.0	-56.98	348.31	9.83	-47.15
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C(F)(F)F)CC1	REAL300010884124	0	39	-1.0	-52.38	323.68	8.03	-44.35
O=C([O-])C1=CC=CC=C1CNC(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010884125	0	43	-1.0	-55.97	332.51	8.51	-47.46
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[C@@H]2CCCC[C@@H]21	REAL300010884126	0	46	-1.0	-57.18	339.54	9.29	-47.89
CC1=CC(Cl)=CN=C1S(=O)(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300010884127	0	34	-1.0	-46.47	316.09	4.46	-42.01
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010884128	0	34	-1.0	-52.00	306.30	4.38	-47.62
CC1=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300010884129	0	32	-1.0	-41.31	313.09	5.44	-35.87
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010884130	0	34	-1.0	-55.36	318.49	4.05	-51.31
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010884131	0	39	-1.0	-49.97	353.80	5.64	-44.33
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300010884132	0	49	-1.0	-55.97	355.85	9.77	-46.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884133	0	45	-1.0	-51.81	368.27	6.95	-44.86
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC2=CC=CC=C21	REAL300010884134	0	40	-1.0	-57.40	319.46	9.54	-47.86
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCOC(C2CC2)C1	REAL300010884135	0	41	-1.0	-53.83	330.11	6.98	-46.85
CC1=CC=C(O)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884136	0	36	-1.0	-51.22	319.18	3.41	-47.81
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010884137	1	37	-1.0	-51.17	339.41	4.02	-47.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010884138	0	38	-1.0	-49.24	317.08	7.27	-41.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010884139	0	31	-1.0	-44.89	267.67	3.19	-41.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010884140	0	32	-1.0	-58.12	291.62	6.05	-52.07
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010884141	0	32	-1.0	-45.65	274.54	5.14	-40.51
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884142	0	44	-1.0	-61.20	324.16	7.46	-53.74
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884143	0	38	-1.0	-57.74	310.21	6.36	-51.38
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884144	0	41	-1.0	-59.45	347.26	7.03	-52.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010884145	0	32	-1.0	-43.11	287.67	5.53	-37.58
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884146	0	38	-1.0	-66.05	325.83	6.17	-59.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884147	0	44	-1.0	-60.55	346.87	7.77	-52.78
CC(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884148	0	41	-1.0	-60.69	330.36	7.36	-53.33
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884149	0	44	-1.0	-60.59	348.80	8.02	-52.57
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884150	0	43	-1.0	-61.77	366.17	3.44	-58.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010884151	0	36	-1.0	-62.28	306.02	2.24	-60.04
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884152	0	42	-1.0	-63.79	352.86	4.46	-59.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010884153	0	34	-1.0	-39.43	300.66	5.73	-33.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010884154	0	32	-1.0	-61.36	285.78	6.42	-54.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010884155	0	29	-1.0	-40.91	271.84	4.37	-36.54
CCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884156	0	41	-1.0	-60.88	335.05	7.66	-53.22
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010884157	0	32	-1.0	-41.80	293.84	5.69	-36.11
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300010884158	0	36	-1.0	-58.11	320.22	5.40	-52.71
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884159	0	43	-1.0	-62.89	347.91	3.53	-59.36
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010884160	0	32	-1.0	-40.03	282.07	4.93	-35.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010884161	0	32	-1.0	-55.49	303.80	6.46	-49.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010884162	0	32	-1.0	-45.82	272.63	5.08	-40.74
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010884163	0	44	-1.0	-63.28	379.82	6.74	-56.54
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884164	0	44	-1.0	-60.24	364.86	7.03	-53.21
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010884165	0	32	-1.0	-66.54	276.54	5.66	-60.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010884166	0	31	-1.0	-56.91	282.25	4.06	-52.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010884167	0	32	-1.0	-42.17	286.25	5.33	-36.84
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010884168	0	35	-1.0	-46.05	308.53	6.58	-39.47
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300010884169	0	35	-1.0	-57.50	309.83	6.61	-50.89
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1NC(C)=O	REAL300010884170	0	43	-1.0	-75.14	354.83	3.75	-71.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010884171	0	36	-1.0	-56.32	316.63	5.24	-51.08
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1C	REAL300010884172	0	47	-1.0	-60.16	335.32	8.21	-51.95
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010884173	0	41	-1.0	-60.43	333.10	5.38	-55.05
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884174	0	37	-1.0	-57.92	314.27	6.62	-51.30
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010884175	0	29	-1.0	-41.03	276.46	4.47	-36.56
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1Cl	REAL300010884176	0	38	-1.0	-45.21	317.38	6.96	-38.25
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884177	0	36	-1.0	-49.43	312.86	5.25	-44.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884178	0	50	-1.0	-59.20	365.71	8.79	-50.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010884179	0	48	-1.0	-60.28	372.51	9.25	-51.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010884180	0	35	-1.0	-56.77	309.39	6.44	-50.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010884181	0	42	-1.0	-61.37	333.07	7.92	-53.45
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884182	0	40	-1.0	-54.26	321.03	3.93	-50.33
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300010884183	0	40	-1.0	-61.45	329.18	4.67	-56.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010884184	0	42	-1.0	-62.30	367.87	5.03	-57.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010884185	0	39	-1.0	-62.17	315.87	7.33	-54.84
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884186	0	39	-1.0	-47.25	337.16	2.91	-44.34
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010884187	0	40	-1.0	-60.88	325.24	7.88	-53.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010884188	0	32	-1.0	-45.69	275.80	4.87	-40.82
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884189	0	42	-1.0	-54.39	331.40	4.12	-50.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010884190	0	29	-1.0	-41.76	283.92	4.75	-37.01
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884191	0	47	-1.0	-60.87	374.12	8.95	-51.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010884192	0	38	-1.0	-51.81	300.63	6.79	-45.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010884193	0	42	-1.0	-61.44	344.28	8.85	-52.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010884194	0	35	-1.0	-40.87	311.17	6.05	-34.82
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884195	0	35	-1.0	-51.03	281.76	5.30	-45.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010884196	0	32	-1.0	-54.88	302.50	6.92	-47.96
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884197	0	47	-1.0	-60.41	360.53	8.22	-52.19
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884198	0	35	-1.0	-58.07	305.92	6.57	-51.50
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010884199	0	32	-1.0	-52.57	289.54	5.61	-46.96
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884200	0	35	-1.0	-46.88	290.80	5.48	-41.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010884201	0	32	-1.0	-41.69	296.47	5.48	-36.21
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010884202	0	35	-1.0	-45.04	308.45	5.81	-39.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010884203	0	32	-1.0	-40.99	296.41	5.45	-35.54
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010884204	0	32	-1.0	-41.37	282.10	4.91	-36.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010884205	0	33	-1.0	-44.86	281.97	3.58	-41.28
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300010884206	0	35	-1.0	-57.22	297.05	6.12	-51.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010884207	0	35	-1.0	-54.16	314.65	6.49	-47.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010884208	0	37	-1.0	-54.96	303.30	5.68	-49.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010884209	0	35	-1.0	-45.75	298.19	6.13	-39.62
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010884210	0	43	-1.0	-60.60	375.56	8.87	-51.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010884211	0	32	-1.0	-43.78	285.64	5.31	-38.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010884212	0	32	-1.0	-41.38	280.88	5.20	-36.18
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884213	0	38	-1.0	-44.28	319.70	5.32	-38.96
CC1=CC=C(F)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884214	0	35	-1.0	-47.28	290.80	5.47	-41.81
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884215	0	36	-1.0	-58.04	306.03	4.80	-53.24
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884216	0	35	-1.0	-57.94	297.18	6.17	-51.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010884217	0	32	-1.0	-59.14	282.93	5.73	-53.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010884218	0	32	-1.0	-57.10	297.47	6.12	-50.98
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)C=C1	REAL300010884219	0	47	-1.0	-59.47	389.12	7.59	-51.88
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884220	0	39	-1.0	-61.96	339.26	4.92	-57.04
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010884221	0	48	-1.0	-52.74	368.65	7.66	-45.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010884222	0	36	-1.0	-65.49	316.79	6.67	-58.82
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1Cl	REAL300010884223	0	35	-1.0	-62.34	304.29	6.90	-55.44
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010884224	0	35	-1.0	-62.93	325.89	7.21	-55.72
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010884225	0	42	-1.0	-52.29	328.86	6.11	-46.18
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(N)=O	REAL300010884226	0	39	-1.0	-59.95	320.93	2.90	-57.05
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(N)=O	REAL300010884227	0	40	-1.0	-61.86	332.11	2.80	-59.06
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884228	0	37	-1.0	-44.69	301.39	5.90	-38.79
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884229	0	39	-1.0	-53.90	325.55	3.70	-50.20
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884230	0	37	-1.0	-43.49	296.15	5.73	-37.76
CN1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1Cl	REAL300010884231	0	32	-1.0	-54.94	282.17	4.96	-49.98
CC1=CC(F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884232	0	35	-1.0	-57.93	298.15	6.17	-51.76
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884233	0	38	-1.0	-58.07	341.82	6.59	-51.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010884234	0	41	-1.0	-74.63	355.69	3.65	-70.98
CC(=O)NC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300010884235	0	39	-1.0	-69.90	330.68	4.45	-65.45
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C21	REAL300010884236	0	46	-1.0	-73.74	359.05	6.96	-66.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300010884237	0	37	-1.0	-77.34	319.19	1.55	-75.79
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1C	REAL300010884238	0	42	-1.0	-50.83	318.45	5.14	-45.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010884239	0	32	-1.0	-45.06	280.76	5.19	-39.87
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C21	REAL300010884240	0	43	-1.0	-60.65	353.62	4.94	-55.71
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010884241	0	35	-1.0	-63.56	317.52	6.93	-56.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010884242	0	32	-1.0	-56.75	306.59	6.54	-50.21
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884243	0	45	-1.0	-70.13	374.06	5.24	-64.89
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884244	0	46	-1.0	-56.21	373.76	3.67	-52.54
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884245	0	40	-1.0	-50.85	324.84	7.11	-43.74
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884246	0	44	-1.0	-61.08	351.28	8.11	-52.97
COCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884247	0	42	-1.0	-61.00	347.23	5.95	-55.05
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884248	0	35	-1.0	-49.49	292.11	5.74	-43.75
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884249	0	48	-1.0	-59.80	382.56	7.77	-52.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010884250	0	46	-1.0	-60.03	365.11	7.65	-52.38
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884251	0	45	-1.0	-60.09	363.60	7.16	-52.93
CCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884252	0	42	-1.0	-60.09	343.49	6.47	-53.62
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884253	0	36	-1.0	-58.05	315.84	5.28	-52.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010884254	0	36	-1.0	-59.47	325.71	5.59	-53.88
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884255	0	39	-1.0	-60.31	319.84	5.47	-54.84
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010884256	0	45	-1.0	-59.83	359.65	7.03	-52.80
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300010884257	0	39	-1.0	-49.32	302.57	4.53	-44.79
COCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884258	0	43	-1.0	-62.92	355.62	4.94	-57.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010884259	0	35	-1.0	-68.39	301.67	6.36	-62.03
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884260	0	43	-1.0	-66.33	361.06	5.09	-61.24
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010884261	0	47	-1.0	-62.53	375.10	4.91	-57.62
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(Br)=C1	REAL300010884262	0	35	-1.0	-46.03	295.77	5.79	-40.24
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010884263	0	38	-1.0	-48.46	333.14	2.58	-45.88
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884264	0	38	-1.0	-54.72	326.91	6.87	-47.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010884265	0	37	-1.0	-61.96	308.59	5.77	-56.19
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884266	0	36	-1.0	-63.78	305.57	5.81	-57.97
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884267	0	36	-1.0	-45.14	293.87	5.61	-39.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010884268	0	33	-1.0	-41.11	290.12	5.19	-35.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010884269	0	36	-1.0	-39.50	315.43	5.82	-33.68
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1OC	REAL300010884270	0	42	-1.0	-63.35	352.50	6.17	-57.18
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884271	0	41	-1.0	-58.01	340.61	6.61	-51.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010884272	0	41	-1.0	-71.46	338.77	5.50	-65.96
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010884273	0	41	-1.0	-55.32	334.42	5.70	-49.62
CCN1N=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884274	0	41	-1.0	-61.45	320.75	5.00	-56.45
CC(C)N1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884275	0	38	-1.0	-44.81	307.74	3.70	-41.11
CC(C)CN1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884276	0	41	-1.0	-48.45	327.57	5.53	-42.92
CC(C)N1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884277	0	38	-1.0	-49.03	308.42	4.95	-44.08
CC(C)C1=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1	REAL300010884278	0	38	-1.0	-52.88	310.46	3.49	-49.39
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884279	0	44	-1.0	-49.35	318.56	7.49	-41.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010884280	0	45	-1.0	-54.02	363.81	7.37	-46.65
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884281	0	40	-1.0	-74.60	336.56	4.85	-69.75
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1Cl	REAL300010884282	0	39	-1.0	-64.03	347.51	5.13	-58.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010884283	0	39	-1.0	-49.31	327.94	5.88	-43.43
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1F	REAL300010884284	0	38	-1.0	-44.77	331.71	5.53	-39.24
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010884285	0	36	-1.0	-44.00	316.45	4.87	-39.13
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010884286	0	42	-1.0	-50.84	356.72	6.79	-44.05
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(Br)O1	REAL300010884287	0	35	-1.0	-46.34	320.95	4.06	-42.28
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C(Br)S1	REAL300010884288	0	32	-1.0	-45.98	289.82	5.10	-40.88
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1	REAL300010884289	0	36	-1.0	-43.04	306.41	2.95	-40.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010884290	0	33	-1.0	-55.24	306.51	6.23	-49.01
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884291	0	40	-1.0	-46.26	308.70	7.01	-39.25
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884292	0	38	-1.0	-51.49	327.13	5.71	-45.78
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884293	0	41	-1.0	-53.51	333.83	2.73	-50.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010884294	0	36	-1.0	-45.41	312.50	6.45	-38.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010884295	0	33	-1.0	-59.22	306.54	6.23	-52.99
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884296	0	48	-1.0	-62.48	381.74	7.15	-55.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010884297	0	43	-1.0	-73.84	358.37	5.40	-68.44
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010884298	0	44	-1.0	-62.01	379.67	3.29	-58.72
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884299	0	40	-1.0	-62.47	347.27	1.61	-60.86
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884300	0	42	-1.0	-52.38	358.61	3.68	-48.70
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])O1	REAL300010884301	0	35	-1.0	-43.84	302.50	3.56	-40.28
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884302	0	38	-1.0	-47.36	322.45	4.28	-43.08
CC1=NC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884303	0	34	-1.0	-58.79	293.49	3.92	-54.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010884304	0	34	-1.0	-51.87	288.61	6.06	-45.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010884305	0	35	-1.0	-62.64	329.78	7.33	-55.31
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(C)N1	REAL300010884306	0	45	-1.0	-59.07	359.90	5.80	-53.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010884307	0	32	-1.0	-64.87	283.55	6.13	-58.74
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])S2)=CS1	REAL300010884308	0	38	-1.0	-49.62	342.30	5.31	-44.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010884309	0	52	-1.0	-59.88	405.22	9.06	-50.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010884310	0	42	-1.0	-64.53	367.58	5.00	-59.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010884311	0	32	-1.0	-57.98	298.11	6.53	-51.45
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884312	0	41	-1.0	-58.17	330.08	5.90	-52.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010884313	0	34	-1.0	-50.30	300.28	6.88	-43.42
COC1=CC(F)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300010884314	0	40	-1.0	-48.03	328.15	4.01	-44.02
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300010884315	0	43	-1.0	-53.31	331.91	4.42	-48.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010884316	0	34	-1.0	-40.08	304.63	6.99	-33.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010884317	0	35	-1.0	-44.73	299.52	5.71	-39.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010884318	0	33	-1.0	-40.06	283.11	4.89	-35.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010884319	0	33	-1.0	-40.27	293.45	5.33	-34.94
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300010884320	0	35	-1.0	-58.09	309.96	6.65	-51.44
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884321	0	35	-1.0	-45.56	278.57	5.27	-40.29
COC(=O)CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884322	0	38	-1.0	-46.43	322.36	3.39	-43.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010884323	0	38	-1.0	-48.51	314.93	7.18	-41.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010884324	0	37	-1.0	-43.37	320.03	6.73	-36.64
CC1=C(Br)SC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884325	0	32	-1.0	-41.65	296.07	5.08	-36.57
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010884326	0	36	-1.0	-69.07	312.39	6.60	-62.47
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC(F)=C1F	REAL300010884327	0	38	-1.0	-54.26	333.18	6.13	-48.13
CC1=NC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C2C=C1	REAL300010884328	0	40	-1.0	-55.66	324.85	6.27	-49.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010884329	0	43	-1.0	-45.14	340.14	3.15	-41.99
CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1Br	REAL300010884330	0	35	-1.0	-46.47	292.68	5.71	-40.76
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884331	0	38	-1.0	-52.33	321.97	5.98	-46.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010884332	0	40	-1.0	-43.84	321.02	2.36	-41.48
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010884333	0	38	-1.0	-56.02	325.80	6.17	-49.85
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884334	0	38	-1.0	-50.32	314.44	6.24	-44.08
COCCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884335	0	39	-1.0	-49.37	322.70	2.21	-47.16
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010884336	0	45	-1.0	-52.35	350.79	7.04	-45.31
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884337	0	42	-1.0	-51.21	334.81	6.25	-44.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010884338	0	37	-1.0	-68.69	318.60	5.61	-63.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010884339	0	39	-1.0	-47.93	323.54	5.72	-42.21
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010884340	0	34	-1.0	-53.75	314.86	6.59	-47.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010884341	0	33	-1.0	-42.83	282.65	4.85	-37.98
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884342	0	46	-1.0	-62.92	377.48	5.90	-57.02
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884343	0	48	-1.0	-59.85	386.49	8.03	-51.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010884344	0	34	-1.0	-58.36	289.71	7.07	-51.29
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300010884345	0	38	-1.0	-59.53	329.76	6.14	-53.39
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010884346	0	38	-1.0	-43.65	339.68	6.09	-37.56
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884347	0	42	-1.0	-57.40	346.22	5.32	-52.08
COC(=O)C1=CSC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884348	0	35	-1.0	-53.14	310.90	4.42	-48.72
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884349	0	44	-1.0	-58.48	345.79	6.44	-52.04
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C	REAL300010884350	0	41	-1.0	-58.70	341.39	6.63	-52.07
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884351	0	38	-1.0	-51.87	324.11	5.45	-46.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010884352	0	42	-1.0	-48.61	314.47	7.05	-41.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010884353	0	38	-1.0	-50.30	318.95	6.67	-43.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010884354	0	31	-1.0	-54.61	283.86	4.19	-50.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010884355	0	36	-1.0	-56.50	327.02	6.91	-49.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010884356	0	32	-1.0	-57.07	297.45	6.12	-50.95
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010884357	0	39	-1.0	-73.05	334.97	3.31	-69.74
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884358	0	35	-1.0	-45.77	291.41	5.76	-40.01
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300010884359	0	36	-1.0	-56.97	320.37	5.44	-51.53
CC1(C)CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300010884360	0	43	-1.0	-60.27	347.80	6.69	-53.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010884361	0	40	-1.0	-62.18	349.48	2.22	-59.96
CCC(=O)NCC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1OC	REAL300010884362	0	49	-1.0	-67.69	401.30	4.57	-63.12
COC1=CC=C(Br)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884363	0	36	-1.0	-49.02	303.82	4.42	-44.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884364	0	41	-1.0	-67.54	349.83	3.80	-63.74
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010884365	0	34	-1.0	-56.27	318.59	5.33	-50.94
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884366	0	37	-1.0	-55.81	313.60	5.46	-50.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010884367	0	33	-1.0	-56.16	312.44	6.43	-49.73
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300010884368	0	39	-1.0	-60.65	342.21	6.35	-54.30
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010884369	0	37	-1.0	-55.59	321.02	0.88	-54.71
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2S1	REAL300010884370	0	46	-1.0	-59.38	383.31	7.37	-52.01
COC(=O)CC1(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300010884371	0	41	-1.0	-51.72	327.07	5.39	-46.33
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884372	0	37	-1.0	-51.14	323.06	4.98	-46.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010884373	0	37	-1.0	-60.13	306.29	4.72	-55.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010884374	0	40	-1.0	-69.28	333.76	6.79	-62.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010884375	0	38	-1.0	-73.69	307.45	1.92	-71.77
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884376	0	42	-1.0	-60.93	350.09	6.35	-54.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010884377	0	37	-1.0	-65.60	318.64	5.61	-59.99
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300010884378	0	42	-1.0	-49.45	324.50	5.44	-44.01
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884379	0	40	-1.0	-63.19	346.95	1.60	-61.59
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884380	0	41	-1.0	-54.40	335.14	6.56	-47.84
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010884381	0	36	-1.0	-50.19	301.34	4.91	-45.28
CSC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884382	0	36	-1.0	-60.35	310.84	6.46	-53.89
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884383	0	44	-1.0	-59.12	368.75	7.82	-51.30
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010884384	0	38	-1.0	-63.89	334.99	7.31	-56.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010884385	0	31	-1.0	-41.18	284.60	3.63	-37.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010884386	0	38	-1.0	-50.91	306.28	4.45	-46.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010884387	0	37	-1.0	-50.49	295.63	4.88	-45.61
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884388	0	35	-1.0	-49.32	296.66	5.85	-43.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010884389	0	40	-1.0	-62.34	330.09	4.60	-57.74
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884390	0	48	-1.0	-68.06	385.61	6.36	-61.70
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OCC	REAL300010884391	0	46	-1.0	-61.30	372.76	6.48	-54.82
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010884392	0	38	-1.0	-59.75	316.37	4.47	-55.28
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884393	0	38	-1.0	-58.54	300.32	4.17	-54.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010884394	0	37	-1.0	-63.16	324.35	0.38	-62.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010884395	0	43	-1.0	-65.24	348.61	6.58	-58.66
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884396	0	46	-1.0	-71.26	361.00	6.99	-64.27
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884397	0	40	-1.0	-54.86	319.35	6.48	-48.38
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884398	0	38	-1.0	-59.86	325.39	6.10	-53.76
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884399	0	43	-1.0	-66.20	350.93	6.55	-59.65
CNC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884400	0	39	-1.0	-64.75	327.06	3.72	-61.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010884401	0	36	-1.0	-64.86	305.13	2.22	-62.64
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2CC1C	REAL300010884402	0	46	-1.0	-65.38	364.32	6.99	-58.39
COC(=O)C1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=CS1	REAL300010884403	0	35	-1.0	-48.16	297.73	4.62	-43.54
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884404	0	35	-1.0	-44.38	310.68	4.51	-39.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010884405	0	36	-1.0	-54.98	326.90	6.61	-48.37
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884406	0	38	-1.0	-53.55	309.15	3.18	-50.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010884407	0	38	-1.0	-64.38	326.82	2.42	-61.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010884408	0	38	-1.0	-61.99	321.04	2.66	-59.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010884409	0	38	-1.0	-46.86	323.17	2.30	-44.56
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=C2N=C1	REAL300010884410	0	40	-1.0	-54.66	324.67	6.31	-48.35
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010884411	0	38	-1.0	-53.98	313.04	5.67	-48.31
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884412	0	36	-1.0	-46.57	308.21	5.17	-41.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010884413	0	36	-1.0	-45.21	308.15	5.14	-40.07
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010884414	0	37	-1.0	-66.45	321.90	0.34	-66.11
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884415	0	38	-1.0	-62.17	325.10	6.08	-56.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010884416	0	44	-1.0	-66.44	379.30	3.27	-63.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010884417	0	37	-1.0	-64.82	324.15	6.96	-57.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010884418	0	35	-1.0	-63.98	302.64	6.37	-57.61
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(Cl)=C1	REAL300010884419	0	35	-1.0	-46.15	293.84	5.73	-40.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010884420	0	38	-1.0	-67.93	325.79	1.82	-66.11
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010884421	0	38	-1.0	-65.41	330.82	2.95	-62.46
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2C1=O	REAL300010884422	0	39	-1.0	-61.38	335.92	4.68	-56.70
CC1=CC(F)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884423	0	35	-1.0	-46.13	279.50	5.30	-40.83
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CN=C12	REAL300010884424	0	40	-1.0	-51.58	315.79	5.73	-45.85
CN1C(=O)OC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884425	0	38	-1.0	-59.52	324.41	5.38	-54.14
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010884426	0	37	-1.0	-57.99	315.33	6.89	-51.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884427	0	40	-1.0	-57.24	322.64	7.60	-49.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010884428	0	36	-1.0	-56.49	316.32	5.22	-51.27
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884429	0	43	-1.0	-66.23	363.99	3.35	-62.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010884430	0	32	-1.0	-41.44	278.94	5.14	-36.30
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010884431	0	34	-1.0	-52.70	300.28	6.89	-45.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010884432	0	44	-1.0	-63.47	355.28	4.77	-58.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010884433	0	42	-1.0	-49.48	326.49	8.13	-41.35
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884434	0	41	-1.0	-61.74	346.97	7.01	-54.73
CCOC(=O)N1CCC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300010884435	0	46	-1.0	-70.60	357.41	5.22	-65.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010884436	0	32	-1.0	-57.49	287.38	5.96	-51.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010884437	0	32	-1.0	-57.26	291.96	6.07	-51.19
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010884438	0	34	-1.0	-55.48	298.35	6.10	-49.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010884439	0	38	-1.0	-61.33	313.52	7.66	-53.67
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884440	0	39	-1.0	-69.22	326.82	4.32	-64.90
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884441	0	37	-1.0	-54.42	301.34	5.90	-48.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010884442	0	34	-1.0	-56.90	283.59	6.37	-50.53
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884443	0	39	-1.0	-49.30	334.69	6.19	-43.11
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884444	0	39	-1.0	-60.46	322.00	5.67	-54.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010884445	0	32	-1.0	-41.78	275.91	4.88	-36.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010884446	0	32	-1.0	-55.53	283.15	5.56	-49.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010884447	0	38	-1.0	-60.58	314.81	4.58	-56.00
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300010884448	0	41	-1.0	-60.00	310.92	7.13	-52.87
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884449	0	47	-1.0	-51.68	351.57	7.56	-44.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010884450	0	32	-1.0	-56.97	302.37	6.44	-50.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010884451	0	32	-1.0	-57.58	283.15	5.58	-52.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010884452	0	32	-1.0	-44.31	289.17	5.57	-38.74
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010884453	0	35	-1.0	-57.94	309.36	6.44	-51.50
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010884454	0	35	-1.0	-50.15	291.51	6.05	-44.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010884455	0	35	-1.0	-54.14	322.23	6.85	-47.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010884456	0	32	-1.0	-58.22	287.06	5.95	-52.27
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010884457	0	35	-1.0	-44.65	311.49	6.07	-38.58
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884458	0	37	-1.0	-63.90	311.86	5.86	-58.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010884459	0	32	-1.0	-57.05	293.04	6.03	-51.02
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884460	0	37	-1.0	-71.87	308.14	5.77	-66.10
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=CO1	REAL300010884461	0	41	-1.0	-65.66	346.75	4.50	-61.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010884462	0	31	-1.0	-52.49	297.54	4.52	-47.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010884463	0	35	-1.0	-50.04	292.67	5.15	-44.89
COC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884464	0	36	-1.0	-49.11	301.89	4.36	-44.75
COC(=O)C1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010884465	0	41	-1.0	-51.05	338.98	7.24	-43.81
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884466	0	41	-1.0	-67.30	347.61	6.89	-60.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010884467	0	39	-1.0	-64.71	309.11	7.12	-57.59
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=N2)C=C1	REAL300010884468	0	42	-1.0	-52.08	344.93	6.39	-45.69
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C21	REAL300010884469	0	43	-1.0	-73.38	349.52	6.48	-66.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010884470	0	33	-1.0	-42.41	292.14	5.21	-37.20
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884471	0	36	-1.0	-50.54	293.95	5.60	-44.94
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010884472	0	46	-1.0	-62.83	372.15	5.28	-57.55
CC1CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010884473	0	40	-1.0	-57.32	344.12	6.56	-50.76
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010884474	0	37	-1.0	-54.91	313.81	6.60	-48.31
COC(=O)C1=COC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884475	0	35	-1.0	-53.09	302.84	3.50	-49.59
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884476	0	43	-1.0	-51.49	350.72	5.36	-46.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010884477	0	34	-1.0	-58.47	302.43	4.92	-53.55
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884478	0	42	-1.0	-64.98	336.38	5.62	-59.36
COC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])SC=C1	REAL300010884479	0	33	-1.0	-69.72	291.89	3.75	-65.97
CC(=O)NC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C	REAL300010884480	0	42	-1.0	-70.01	343.54	5.22	-64.79
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C21	REAL300010884481	0	44	-1.0	-63.60	344.68	5.99	-57.61
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN=C1Cl	REAL300010884482	0	34	-1.0	-54.63	301.14	4.66	-49.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010884483	0	38	-1.0	-61.02	319.02	4.45	-56.57
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884484	0	41	-1.0	-46.26	335.85	6.40	-39.86
CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C#N	REAL300010884485	0	36	-1.0	-45.71	295.90	5.31	-40.40
COC1=CC(OC)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884486	0	40	-1.0	-62.80	329.34	4.03	-58.77
CN1C=NC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884487	0	38	-1.0	-65.35	318.53	6.79	-58.56
CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1CC	REAL300010884488	0	44	-1.0	-61.96	347.48	8.00	-53.96
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884489	0	40	-1.0	-53.27	317.72	7.13	-46.14
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(C)O1	REAL300010884490	0	38	-1.0	-52.48	320.54	4.26	-48.22
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010884491	0	33	-1.0	-45.50	283.01	2.66	-42.84
COC(=O)C1=NSC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884492	0	34	-1.0	-45.39	291.49	3.08	-42.31
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC(C)=C1F	REAL300010884493	0	38	-1.0	-57.33	317.36	6.77	-50.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010884494	0	40	-1.0	-74.69	330.04	3.92	-70.77
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1C	REAL300010884495	0	39	-1.0	-67.30	330.65	5.57	-61.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010884496	0	32	-1.0	-55.19	293.47	6.01	-49.18
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010884497	0	31	-1.0	-54.75	279.29	4.08	-50.67
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884498	0	43	-1.0	-62.64	352.67	7.28	-55.36
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010884499	0	35	-1.0	-63.39	316.56	6.80	-56.59
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(N)=O	REAL300010884500	0	37	-1.0	-61.25	311.43	1.63	-59.62
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884501	0	35	-1.0	-46.21	289.84	5.74	-40.47
CNC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1C	REAL300010884502	0	40	-1.0	-61.38	333.36	3.12	-58.26
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300010884503	0	42	-1.0	-59.03	318.97	5.74	-53.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010884504	0	40	-1.0	-49.11	332.32	4.24	-44.87
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884505	0	41	-1.0	-65.94	351.04	6.97	-58.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010884506	0	43	-1.0	-62.08	345.81	5.57	-56.51
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884507	0	41	-1.0	-67.68	351.13	6.98	-60.70
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])O1	REAL300010884508	0	38	-1.0	-43.81	324.35	4.48	-39.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010884509	0	43	-1.0	-61.60	354.54	9.54	-52.06
COC(=O)COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884510	0	42	-1.0	-66.20	356.50	6.37	-59.83
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884511	0	45	-1.0	-62.56	377.46	6.51	-56.05
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884512	0	42	-1.0	-51.16	322.70	5.26	-45.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010884513	0	36	-1.0	-71.24	308.70	5.80	-65.44
CCOC(=O)CCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884514	0	40	-1.0	-69.37	332.88	5.73	-63.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010884515	0	35	-1.0	-46.22	294.21	6.36	-39.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010884516	0	34	-1.0	-50.27	304.84	7.00	-43.27
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884517	0	37	-1.0	-45.65	292.06	6.50	-39.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010884518	0	34	-1.0	-39.46	302.57	5.79	-33.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010884519	0	29	-1.0	-62.92	283.49	5.10	-57.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010884520	0	36	-1.0	-45.58	297.99	4.98	-40.60
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010884521	0	40	-1.0	-51.57	309.93	5.89	-45.68
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010884522	0	34	-1.0	-66.09	307.64	4.93	-61.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010884523	0	40	-1.0	-45.80	329.25	3.99	-41.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010884524	0	37	-1.0	-49.73	295.87	5.01	-44.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010884525	0	31	-1.0	-41.84	289.06	3.80	-38.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010884526	0	34	-1.0	-39.56	297.61	5.47	-34.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010884527	0	34	-1.0	-52.70	314.68	6.55	-46.15
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884528	0	41	-1.0	-55.87	344.85	3.63	-52.24
CCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010884529	0	37	-1.0	-45.95	308.83	5.13	-40.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010884530	0	34	-1.0	-53.97	296.36	6.19	-47.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010884531	0	34	-1.0	-56.82	304.96	6.16	-50.66
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010884532	0	39	-1.0	-62.20	341.03	6.12	-56.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010884533	0	34	-1.0	-52.57	304.85	7.00	-45.57
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010884534	0	46	-1.0	-61.50	381.37	8.71	-52.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010884535	0	40	-1.0	-48.24	342.92	1.51	-46.73
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884536	0	40	-1.0	-66.73	333.39	6.69	-60.04
COC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010884537	0	41	-1.0	-62.16	343.35	6.42	-55.74
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010884538	0	42	-1.0	-44.66	348.95	6.18	-38.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010884539	0	40	-1.0	-64.40	344.31	2.17	-62.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010884540	0	35	-1.0	-63.96	302.72	6.39	-57.57
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010884541	0	38	-1.0	-69.68	335.38	2.97	-66.71
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(F)C=C1F	REAL300010884542	0	35	-1.0	-42.45	296.19	5.50	-36.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884543	0	39	-1.0	-50.51	331.04	5.82	-44.69
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884544	0	44	-1.0	-60.87	360.98	6.97	-53.90
CC1=CN(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2F)N=C1	REAL300010884545	0	42	-1.0	-58.73	353.91	7.29	-51.44
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884546	0	39	-1.0	-65.41	349.09	4.65	-60.76
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884547	0	39	-1.0	-65.56	334.06	0.27	-65.29
CC1=CC(F)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884548	0	35	-1.0	-46.31	296.18	5.52	-40.79
CC1=CC(Cl)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884549	0	37	-1.0	-48.79	316.74	6.24	-42.55
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010884550	0	38	-1.0	-58.42	330.21	6.63	-51.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010884551	0	29	-1.0	-41.70	288.56	4.86	-36.84
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010884552	0	44	-1.0	-51.10	358.61	6.79	-44.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010884553	0	32	-1.0	-44.10	275.74	4.87	-39.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010884554	0	32	-1.0	-44.71	290.69	5.42	-39.29
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010884555	0	38	-1.0	-57.78	324.76	6.95	-50.83
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010884556	0	38	-1.0	-43.92	335.52	5.51	-38.41
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C12	REAL300010884557	0	40	-1.0	-59.12	336.65	5.15	-53.97
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884558	0	39	-1.0	-66.17	341.22	6.20	-59.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010884559	0	35	-1.0	-62.18	322.93	6.98	-55.20
CC1=NOC2=NC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C12	REAL300010884560	0	36	-1.0	-58.68	310.16	2.40	-56.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010884561	0	41	-1.0	-63.42	352.21	8.29	-55.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010884562	0	34	-1.0	-47.06	302.57	5.79	-41.27
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884563	0	38	-1.0	-55.23	316.58	6.42	-48.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010884564	0	35	-1.0	-65.45	310.18	6.76	-58.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010884565	0	44	-1.0	-71.57	366.70	3.94	-67.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010884566	0	39	-1.0	-64.21	341.92	6.09	-58.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010884567	0	32	-1.0	-44.23	293.72	5.68	-38.55
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CN=C21	REAL300010884568	0	40	-1.0	-55.22	340.02	2.83	-52.39
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300010884569	0	41	-1.0	-59.69	351.46	7.04	-52.65
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010884570	0	40	-1.0	-55.75	328.06	5.52	-50.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010884571	0	35	-1.0	-45.44	318.45	6.69	-38.75
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010884572	0	38	-1.0	-48.73	327.09	7.45	-41.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010884573	0	35	-1.0	-45.43	314.97	6.51	-38.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010884574	0	38	-1.0	-65.06	313.10	8.08	-56.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010884575	0	38	-1.0	-49.47	317.31	7.30	-42.17
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300010884576	0	46	-1.0	-62.56	383.89	7.67	-54.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010884577	0	38	-1.0	-62.93	335.38	2.97	-59.96
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884578	0	45	-1.0	-66.17	377.53	7.01	-59.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010884579	0	43	-1.0	-65.83	370.21	2.59	-63.24
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010884580	0	33	-1.0	-60.71	297.29	6.02	-54.69
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1N(C)C	REAL300010884581	0	43	-1.0	-60.41	344.92	6.08	-54.33
CN1C(Cl)=NC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884582	0	32	-1.0	-48.98	281.08	3.60	-45.38
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884583	0	37	-1.0	-51.42	313.83	6.27	-45.15
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])N=C1Cl	REAL300010884584	0	32	-1.0	-57.07	284.94	4.20	-52.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010884585	0	35	-1.0	-43.42	301.37	5.23	-38.19
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884586	0	38	-1.0	-52.44	326.91	6.86	-45.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884587	0	44	-1.0	-53.32	339.69	5.06	-48.26
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010884588	0	37	-1.0	-60.25	306.27	5.28	-54.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010884589	0	38	-1.0	-68.01	328.36	2.91	-65.10
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884590	0	40	-1.0	-55.68	324.63	6.31	-49.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010884591	0	35	-1.0	-79.21	298.95	4.67	-74.54
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884592	0	42	-1.0	-69.03	347.13	5.14	-63.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010884593	0	35	-1.0	-63.67	318.36	6.87	-56.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010884594	0	33	-1.0	-55.40	281.15	5.54	-49.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010884595	0	32	-1.0	-45.18	278.83	5.13	-40.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884596	0	51	-1.0	-56.22	376.81	8.09	-48.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010884597	0	35	-1.0	-63.28	323.02	7.18	-56.10
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884598	0	39	-1.0	-50.08	339.59	4.32	-45.76
CC1CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300010884599	0	40	-1.0	-59.90	327.42	6.05	-53.85
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884600	0	36	-1.0	-45.66	317.99	4.91	-40.75
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884601	0	44	-1.0	-56.82	345.92	3.30	-53.52
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CS1	REAL300010884602	0	35	-1.0	-58.57	315.67	5.12	-53.45
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884603	0	41	-1.0	-54.60	349.23	7.36	-47.24
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010884604	0	43	-1.0	-60.44	377.31	8.86	-51.58
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884605	0	41	-1.0	-47.77	322.34	5.71	-42.06
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010884606	0	34	-1.0	-56.75	319.85	6.72	-50.03
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884607	0	36	-1.0	-48.04	321.77	5.35	-42.69
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884608	0	44	-1.0	-53.32	341.35	5.24	-48.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010884609	0	34	-1.0	-64.28	295.89	6.05	-58.23
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=C1	REAL300010884610	0	46	-1.0	-59.91	381.02	8.97	-50.94
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884611	0	39	-1.0	-51.19	312.89	5.30	-45.89
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010884612	0	36	-1.0	-65.12	317.09	6.70	-58.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010884613	0	35	-1.0	-63.69	302.04	2.93	-60.76
CN1C(=O)CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884614	0	40	-1.0	-61.08	333.13	5.85	-55.23
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010884615	0	32	-1.0	-57.15	298.44	6.54	-50.61
COC1=C(C)C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884616	0	42	-1.0	-59.48	341.61	6.23	-53.25
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010884617	0	41	-1.0	-51.35	354.09	5.43	-45.92
COCC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884618	0	39	-1.0	-63.20	322.74	5.10	-58.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010884619	0	32	-1.0	-42.57	292.92	5.01	-37.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010884620	0	41	-1.0	-69.96	351.04	7.44	-62.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010884621	0	38	-1.0	-56.19	330.99	6.10	-50.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010884622	0	38	-1.0	-43.76	345.83	5.96	-37.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010884623	0	35	-1.0	-59.28	309.16	3.71	-55.57
CC1=NC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2O1	REAL300010884624	0	37	-1.0	-59.49	313.92	3.09	-56.40
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884625	0	44	-1.0	-59.76	314.17	8.19	-51.57
CC1=CC(Br)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884627	0	32	-1.0	-62.72	305.43	5.91	-56.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010884628	0	37	-1.0	-44.60	326.95	5.59	-39.01
CC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884629	0	41	-1.0	-65.84	334.35	7.50	-58.34
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884630	0	37	-1.0	-51.31	305.88	5.92	-45.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010884631	0	36	-1.0	-57.08	322.99	4.30	-52.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010884632	0	37	-1.0	-72.16	315.27	7.22	-64.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010884633	0	40	-1.0	-68.12	337.44	7.48	-60.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010884634	0	40	-1.0	-64.52	345.64	7.74	-56.78
CC1=NN2C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=NC2=C1Cl	REAL300010884635	0	37	-1.0	-46.80	326.57	4.71	-42.09
CCCN1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884636	0	38	-1.0	-56.90	312.08	6.14	-50.76
CCCCCCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(=O)NC1=O	REAL300010884637	0	50	-1.0	-42.49	401.80	5.49	-37.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010884638	0	32	-1.0	-52.60	293.82	5.78	-46.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010884639	0	35	-1.0	-67.33	306.55	6.35	-60.98
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCCC4(C)C(=O)[O-])C=CC1=C23	REAL300010884640	0	43	-1.0	-50.49	345.45	6.46	-44.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010884641	0	36	-1.0	-66.26	322.48	6.74	-59.52
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010884642	0	37	-1.0	-53.39	323.37	6.75	-46.64
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884643	0	38	-1.0	-51.97	316.58	6.41	-45.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010884644	0	46	-1.0	-59.69	375.09	6.63	-53.06
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010884645	0	35	-1.0	-79.15	302.49	5.21	-73.94
CC1=CC=C(Br)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884646	0	35	-1.0	-46.34	295.77	5.79	-40.55
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884647	0	35	-1.0	-46.46	293.84	5.73	-40.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010884648	0	35	-1.0	-62.42	308.04	6.42	-56.00
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884649	0	43	-1.0	-60.99	370.95	3.11	-57.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010884650	0	31	-1.0	-60.08	281.28	4.49	-55.59
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C12	REAL300010884651	0	43	-1.0	-48.98	346.18	5.45	-43.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010884652	0	35	-1.0	-60.49	329.90	7.39	-53.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010884653	0	40	-1.0	-57.17	346.85	3.11	-54.06
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010884654	0	31	-1.0	-42.39	284.97	3.65	-38.74
CCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])N=C1C	REAL300010884655	0	38	-1.0	-50.81	308.60	4.35	-46.46
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884656	0	37	-1.0	-57.35	321.11	4.24	-53.11
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010884657	0	35	-1.0	-55.11	329.73	1.72	-53.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010884658	0	40	-1.0	-61.33	324.03	6.06	-55.27
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884659	0	42	-1.0	-60.27	339.87	6.29	-53.98
CC1=C(C)SC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884660	0	35	-1.0	-46.93	295.07	5.13	-41.80
COCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884661	0	39	-1.0	-61.86	325.73	5.17	-56.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010884662	0	41	-1.0	-56.41	354.66	4.51	-51.90
CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1Cl	REAL300010884663	0	35	-1.0	-46.58	291.28	5.66	-40.92
CC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300010884664	0	37	-1.0	-55.79	329.50	6.57	-49.22
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010884665	0	43	-1.0	-61.65	374.17	4.42	-57.23
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300010884666	0	45	-1.0	-61.49	365.94	8.02	-53.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010884667	0	36	-1.0	-62.44	331.32	7.06	-55.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010884668	0	41	-1.0	-55.51	330.60	8.48	-47.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010884669	0	35	-1.0	-57.84	296.36	4.08	-53.76
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010884670	0	40	-1.0	-59.18	312.66	6.48	-52.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010884671	0	38	-1.0	-49.66	302.36	6.31	-43.35
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010884672	0	45	-1.0	-64.78	353.90	5.79	-58.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010884673	0	44	-1.0	-65.14	345.85	2.54	-62.60
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010884674	0	38	-1.0	-56.82	338.94	3.50	-53.32
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884675	0	41	-1.0	-57.73	353.36	7.07	-50.66
COCC1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884676	0	39	-1.0	-46.51	305.24	4.49	-42.02
CCC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010884677	0	41	-1.0	-50.59	344.92	5.15	-45.44
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010884678	0	49	-1.0	-66.72	376.51	7.10	-59.62
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884679	0	45	-1.0	-52.09	377.00	6.35	-45.74
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010884680	0	33	-1.0	-40.64	293.16	5.45	-35.19
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884681	0	36	-1.0	-47.18	318.55	5.31	-41.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010884682	0	39	-1.0	-51.15	308.78	4.60	-46.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010884683	0	37	-1.0	-71.44	319.27	5.63	-65.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010884684	0	52	-1.0	-74.32	387.34	7.02	-67.30
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010884685	0	46	-1.0	-67.73	366.00	5.92	-61.81
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010884686	0	43	-1.0	-68.30	371.46	6.48	-61.82
CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1F	REAL300010884687	0	35	-1.0	-47.32	289.82	5.46	-41.86
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884688	0	38	-1.0	-57.62	319.37	3.04	-54.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010884689	0	34	-1.0	-56.53	305.07	4.65	-51.88
COC(=O)C1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])SC=N1	REAL300010884690	0	34	-1.0	-46.55	294.70	2.89	-43.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884691	0	38	-1.0	-58.21	331.50	6.15	-52.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010887001	0	29	-1.0	-46.70	286.29	4.04	-42.66
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887002	0	40	-1.0	-51.62	345.63	5.30	-46.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010887003	0	32	-1.0	-51.31	309.62	4.74	-46.57
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010887004	0	34	-1.0	-54.54	305.18	-0.40	-54.94
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887005	0	32	-1.0	-47.91	294.64	4.84	-43.07
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887006	0	40	-1.0	-53.59	338.80	4.21	-49.38
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300010887007	0	37	-1.0	-53.91	327.34	1.10	-52.81
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300010887008	0	39	-1.0	-49.18	318.66	4.31	-44.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300010887009	0	37	-1.0	-53.86	336.16	3.21	-50.65
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887010	0	38	-1.0	-56.48	341.24	4.81	-51.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010887011	0	40	-1.0	-51.97	338.65	3.59	-48.38
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887012	0	38	-1.0	-55.40	341.80	4.83	-50.57
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887013	0	35	-1.0	-49.46	324.57	3.18	-46.28
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010887014	0	40	-1.0	-50.80	347.38	7.58	-43.22
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887015	0	39	-1.0	-55.70	348.52	4.35	-51.35
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887016	0	42	-1.0	-52.15	369.98	4.53	-47.62
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887017	0	39	-1.0	-48.55	327.48	4.39	-44.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010887018	0	33	-1.0	-57.39	301.52	3.83	-53.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010887019	0	32	-1.0	-52.22	299.26	5.52	-46.70
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010887020	0	31	-1.0	-53.36	301.88	5.56	-47.80
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887021	0	34	-1.0	-57.54	295.57	5.80	-51.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010887022	0	31	-1.0	-48.28	307.87	4.87	-43.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010887023	0	26	-1.0	-49.17	271.77	3.20	-45.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010887024	0	33	-1.0	-52.32	301.11	3.82	-48.50
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010887025	0	37	-1.0	-50.44	307.35	4.59	-45.85
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010887026	0	31	-1.0	-52.65	298.69	2.81	-49.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300010887027	0	37	-1.0	-53.62	328.19	2.70	-50.92
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010887028	0	34	-1.0	-53.88	299.59	3.99	-49.89
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010887029	0	28	-1.0	-47.83	293.18	2.76	-45.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010887030	0	31	-1.0	-48.33	289.24	3.89	-44.44
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010887031	0	31	-1.0	-50.05	307.06	4.55	-45.50
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887032	0	38	-1.0	-56.48	342.48	1.93	-54.55
CCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010887033	0	34	-1.0	-59.10	313.22	4.33	-54.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010887034	0	31	-1.0	-58.67	296.37	4.79	-53.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010887035	0	31	-1.0	-48.07	297.79	4.20	-43.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010887036	0	36	-1.0	-51.99	333.59	4.11	-47.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010887037	0	31	-1.0	-52.31	301.94	5.57	-46.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010887038	0	43	-1.0	-51.43	373.93	6.70	-44.73
CC1(C)C2CCC1(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)C2	REAL300010887039	0	44	-1.0	-56.01	341.20	5.97	-50.04
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887040	0	37	-1.0	-57.73	334.69	-0.07	-57.80
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887041	0	37	-1.0	-57.47	325.76	4.69	-52.78
CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887042	0	42	-1.0	-51.48	346.58	2.14	-49.34
COC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010887043	0	38	-1.0	-52.33	342.27	4.69	-47.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300010887044	0	39	-1.0	-52.25	349.14	5.02	-47.23
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887045	0	51	-1.0	-48.59	398.30	6.33	-42.26
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887046	0	35	-1.0	-50.59	334.43	4.85	-45.74
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887047	0	37	-1.0	-55.71	336.74	0.17	-55.54
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010887048	0	35	-1.0	-53.94	328.27	1.00	-52.94
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1F	REAL300010887049	0	32	-1.0	-49.08	295.49	4.19	-44.89
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887050	0	36	-1.0	-49.52	322.25	4.52	-45.00
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887051	0	41	-1.0	-51.47	353.88	5.01	-46.46
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2F)N=C1	REAL300010887052	0	39	-1.0	-50.73	346.73	5.33	-45.40
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887053	0	36	-1.0	-50.64	339.09	3.32	-47.32
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887054	0	36	-1.0	-60.59	326.55	-1.84	-62.43
CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887055	0	32	-1.0	-48.67	295.12	4.21	-44.46
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887056	0	34	-1.0	-50.01	323.28	5.31	-44.70
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010887057	0	35	-1.0	-48.78	315.89	4.76	-44.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010887058	0	26	-1.0	-46.67	290.81	3.69	-42.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300010887059	0	41	-1.0	-51.57	356.85	5.45	-46.12
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300010887060	0	29	-1.0	-48.65	289.69	4.14	-44.51
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010887061	0	35	-1.0	-49.86	317.09	4.94	-44.92
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010887062	0	35	-1.0	-49.70	336.00	4.19	-45.51
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300010887063	0	37	-1.0	-51.97	329.48	3.18	-48.79
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887064	0	36	-1.0	-53.81	331.31	4.03	-49.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300010887065	0	32	-1.0	-51.51	313.59	4.84	-46.67
CC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300010887066	0	33	-1.0	-53.16	302.92	0.44	-52.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300010887067	0	38	-1.0	-50.05	344.71	6.30	-43.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010887068	0	31	-1.0	-52.65	298.69	2.81	-49.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300010887069	0	31	-1.0	-48.18	307.90	4.86	-43.32
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887070	0	35	-1.0	-53.65	313.65	5.02	-48.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300010887071	0	32	-1.0	-53.03	299.80	4.58	-48.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300010887072	0	41	-1.0	-63.87	359.78	1.96	-61.91
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CN=C2S1	REAL300010887073	0	43	-1.0	-50.81	387.58	5.08	-45.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010887074	0	36	-1.0	-51.13	332.98	3.97	-47.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010887075	0	29	-1.0	-47.57	297.26	4.66	-42.91
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887076	0	37	-1.0	-50.25	341.40	3.19	-47.06
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CN=C21	REAL300010887077	0	37	-1.0	-51.73	332.07	0.91	-50.82
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010887078	0	38	-1.0	-51.04	344.35	5.07	-45.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300010887079	0	37	-1.0	-54.95	325.07	4.09	-50.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300010887080	0	32	-1.0	-48.86	318.87	5.39	-43.47
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010887081	0	35	-1.0	-47.92	328.93	6.29	-41.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300010887082	0	32	-1.0	-50.05	316.67	5.33	-44.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300010887083	0	35	-1.0	-50.78	309.01	6.28	-44.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300010887084	0	35	-1.0	-52.98	320.84	6.34	-46.64
COC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887085	0	33	-1.0	-47.52	325.15	4.07	-43.45
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010887086	0	43	-1.0	-53.92	376.20	5.67	-48.25
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887087	0	35	-1.0	-53.69	328.23	1.01	-52.68
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887088	0	42	-1.0	-54.48	369.72	4.99	-49.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300010887089	0	40	-1.0	-59.43	362.65	0.48	-58.95
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887090	1	30	-1.0	-49.07	291.27	4.09	-44.98
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1N(C)C	REAL300010887091	0	40	-1.0	-48.94	338.06	4.12	-44.82
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887092	0	34	-1.0	-48.26	318.56	5.39	-42.87
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887093	0	32	-1.0	-63.07	305.93	4.16	-58.91
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887094	0	35	-1.0	-51.53	323.99	5.46	-46.07
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887095	0	41	-1.0	-50.84	339.17	3.90	-46.94
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887096	0	35	-1.0	-58.80	323.38	0.95	-57.85
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C1(C)NC(=O)NC1=O	REAL300010887097	0	45	-1.0	-54.18	383.14	1.05	-53.13
CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887098	0	43	-1.0	-53.63	356.91	4.15	-49.48
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887099	0	37	-1.0	-55.43	324.21	4.73	-50.70
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300010887100	0	44	-1.0	-56.17	385.09	2.59	-53.58
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887101	0	39	-1.0	-56.26	339.36	3.13	-53.13
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300010887102	0	32	-1.0	-50.69	309.02	4.72	-45.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010887103	0	30	-1.0	-59.61	277.74	4.13	-55.48
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887104	0	38	-1.0	-55.91	331.55	5.25	-50.66
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300010887105	0	29	-1.0	-49.11	282.75	4.08	-45.03
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887106	0	48	-1.0	-59.80	393.42	6.68	-53.12
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300010887107	0	32	-1.0	-52.34	313.42	5.03	-47.31
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887108	0	36	-1.0	-54.18	339.72	3.01	-51.17
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010887109	0	37	-1.0	-49.75	320.17	4.08	-45.67
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887110	0	33	-1.0	-47.97	321.45	3.89	-44.08
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887111	0	41	-1.0	-52.25	350.60	2.41	-49.84
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CS1	REAL300010887112	0	32	-1.0	-51.36	310.43	3.13	-48.23
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887113	0	38	-1.0	-53.51	346.37	5.96	-47.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300010887114	0	40	-1.0	-48.91	370.28	6.91	-42.00
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300010887115	0	38	-1.0	-52.86	326.90	4.84	-48.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300010887116	0	31	-1.0	-48.60	312.20	4.72	-43.88
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887117	0	33	-1.0	-47.74	318.99	4.09	-43.65
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887118	0	41	-1.0	-51.09	340.33	3.99	-47.10
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010887119	0	31	-1.0	-53.69	290.95	4.09	-49.60
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300010887120	0	43	-1.0	-50.15	373.27	6.99	-43.16
CN(CCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010887121	0	43	-1.0	-58.26	389.31	2.38	-55.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300010887122	0	32	-1.0	-53.76	294.90	0.96	-52.80
CN1C(=O)CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887123	0	37	-1.0	-53.01	325.60	3.85	-49.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010887124	0	29	-1.0	-48.39	290.47	4.53	-43.86
COC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887125	0	40	-1.0	-51.73	335.90	3.29	-48.44
COC1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887126	0	39	-1.0	-49.99	333.95	4.23	-45.76
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010887127	0	38	-1.0	-52.27	358.42	4.67	-47.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)N=C3SC=CN32)C1	REAL300010887128	0	29	-1.0	-51.95	292.67	3.44	-48.51
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300010887129	0	42	-1.0	-55.61	384.26	5.64	-49.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300010887130	0	38	-1.0	-58.19	341.38	5.28	-52.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010887131	0	35	-1.0	-52.86	329.58	4.13	-48.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010887132	0	35	-1.0	-49.41	346.32	4.64	-44.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C1	REAL300010887133	0	32	-1.0	-51.93	302.18	1.65	-50.28
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2O1	REAL300010887134	0	34	-1.0	-51.76	306.80	1.12	-50.64
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887135	0	41	-1.0	-48.51	319.86	6.69	-41.82
CC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887137	0	29	-1.0	-47.17	290.80	3.55	-43.62
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)C1	REAL300010887138	0	34	-1.0	-53.51	326.60	4.32	-49.19
CC1=C(Br)SC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300010887139	1	28	-1.0	-48.52	289.04	1.55	-46.97
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887140	0	34	-1.0	-48.92	310.62	5.05	-43.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)C1	REAL300010887141	0	33	-1.0	-50.94	315.36	2.29	-48.65
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010887142	0	34	-1.0	-58.39	305.06	5.25	-53.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010887143	0	37	-1.0	-59.13	327.44	5.29	-53.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010887144	0	37	-1.0	-57.32	336.14	5.59	-51.73
CC1=NN2C=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=NC2=C1Cl	REAL300010887145	0	34	-1.0	-51.93	319.72	3.22	-48.71
CCCCCCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010887146	0	47	-1.0	-55.59	393.27	4.07	-51.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300010887148	0	32	-1.0	-54.83	297.08	4.20	-50.63
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@H]4C[C@@H](C(=O)[O-])C4)C=CC1=C23	REAL300010887149	0	40	-1.0	-54.11	349.02	5.36	-48.75
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887150	0	33	-1.0	-55.96	312.54	4.55	-51.41
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010887151	0	34	-1.0	-51.92	315.68	4.75	-47.17
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887152	0	35	-1.0	-51.70	313.66	5.02	-46.68
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300010887153	0	44	-1.0	-57.19	386.63	0.88	-56.31
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887154	1	44	-1.0	-54.75	380.11	0.62	-54.13
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887155	0	43	-1.0	-53.15	385.08	1.92	-51.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010887156	0	43	-1.0	-54.06	369.02	4.67	-49.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010887157	0	32	-1.0	-63.55	300.49	3.30	-60.25
CC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887158	0	32	-1.0	-50.31	301.09	4.85	-45.46
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887159	0	32	-1.0	-49.57	297.70	4.71	-44.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010887160	0	32	-1.0	-51.91	298.70	4.28	-47.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887161	0	40	-1.0	-51.62	363.56	1.13	-50.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010887162	0	28	-1.0	-48.89	278.21	2.77	-46.12
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010887163	0	40	-1.0	-51.40	349.85	4.50	-46.90
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010887164	0	32	-1.0	-52.03	319.70	5.21	-46.82
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887165	0	37	-1.0	-61.25	346.79	1.75	-59.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010887166	0	29	-1.0	-46.37	292.14	4.82	-41.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010887167	0	28	-1.0	-46.44	288.25	2.65	-43.79
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887168	0	34	-1.0	-50.61	313.89	2.29	-48.32
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(Cl)S1	REAL300010887169	0	32	-1.0	-54.67	331.61	0.56	-54.11
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887170	0	48	-1.0	-54.66	418.00	4.44	-50.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010887171	0	37	-1.0	-49.80	316.84	4.09	-45.71
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887172	0	39	-1.0	-50.13	331.92	4.27	-45.86
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887173	0	43	-1.0	-57.31	398.52	1.07	-56.24
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887174	0	38	-1.0	-57.74	353.49	3.02	-54.72
O=C([O-])[C@H]1C[C@@H](NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010887175	0	40	-1.0	-48.79	337.31	10.22	-38.57
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010887176	0	32	-1.0	-50.29	294.75	4.62	-45.67
CC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010887177	0	34	-1.0	-50.27	322.22	4.58	-45.69
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010887178	0	40	-1.0	-52.70	367.84	2.42	-50.28
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300010887179	0	42	-1.0	-51.39	361.51	6.09	-45.30
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887180	0	33	-1.0	-56.47	321.56	4.88	-51.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010887181	0	38	-1.0	-54.38	329.87	7.21	-47.17
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010887182	0	37	-1.0	-57.33	312.15	5.03	-52.30
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010887183	0	35	-1.0	-57.04	312.02	4.91	-52.13
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010887184	0	42	-1.0	-56.21	357.48	4.86	-51.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1	REAL300010887185	0	41	-1.0	-54.02	336.37	0.39	-53.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010887186	0	35	-1.0	-49.86	331.40	1.50	-48.36
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887187	0	38	-1.0	-49.26	346.22	5.11	-44.15
CCC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010887188	0	38	-1.0	-50.46	342.40	3.77	-46.69
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010887189	0	46	-1.0	-59.57	379.25	5.31	-54.26
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887190	0	42	-1.0	-49.59	374.17	5.09	-44.50
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Cl)=C1	REAL300010887191	0	30	-1.0	-50.64	297.13	4.43	-46.21
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887192	0	33	-1.0	-47.93	318.20	3.86	-44.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300010887193	0	34	-1.0	-58.46	309.77	3.49	-54.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010887194	0	49	-1.0	-52.10	386.94	5.23	-46.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300010887195	0	43	-1.0	-52.60	354.38	3.67	-48.93
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300010887196	0	40	-1.0	-57.25	358.46	4.08	-53.17
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887197	0	35	-1.0	-49.69	311.83	1.03	-48.66
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010887198	0	31	-1.0	-48.94	297.89	2.69	-46.25
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)SC=N1	REAL300010887199	1	31	-1.0	-56.68	298.08	1.71	-54.97
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887200	0	35	-1.0	-49.57	324.37	4.18	-45.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300010890001	0	32	-1.0	-48.77	301.07	5.65	-43.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300010890002	0	39	-1.0	-69.24	338.49	2.89	-66.35
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890003	0	35	-1.0	-47.01	295.89	5.80	-41.21
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010890004	0	36	-1.0	-47.41	323.98	4.96	-42.45
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010890005	0	43	-1.0	-50.95	351.28	6.28	-44.67
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890006	0	40	-1.0	-52.93	353.01	1.76	-51.17
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300010890007	0	49	-1.0	-52.49	405.01	4.16	-48.33
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890008	0	36	-1.0	-52.38	310.96	4.56	-47.82
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890009	0	41	-1.0	-62.01	356.23	3.41	-58.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300010890010	0	34	-1.0	-48.99	322.13	4.94	-44.05
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890011	0	37	-1.0	-56.86	320.54	5.64	-51.22
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890012	0	33	-1.0	-49.66	316.01	6.03	-43.63
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010890013	0	39	-1.0	-51.56	345.82	5.88	-45.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300010890014	0	37	-1.0	-47.55	324.73	0.45	-47.10
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2S1	REAL300010890015	0	46	-1.0	-51.13	386.88	6.98	-44.15
COC(=O)CC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890016	0	41	-1.0	-50.00	339.98	5.52	-44.48
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890017	0	37	-1.0	-57.41	332.23	5.29	-52.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300010890018	0	37	-1.0	-50.42	309.83	4.33	-46.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300010890019	0	40	-1.0	-60.51	337.50	6.28	-54.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300010890020	0	38	-1.0	-61.02	314.11	1.39	-59.63
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890021	0	42	-1.0	-55.43	354.13	5.94	-49.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300010890022	0	37	-1.0	-56.85	322.33	5.17	-51.68
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300010890023	0	42	-1.0	-51.02	332.32	5.65	-45.37
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890024	0	40	-1.0	-51.83	350.68	1.16	-50.67
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890025	0	41	-1.0	-54.53	339.75	6.56	-47.97
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300010890026	0	36	-1.0	-52.16	306.53	5.13	-47.03
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890027	0	36	-1.0	-50.07	314.05	6.05	-44.02
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890028	0	44	-1.0	-49.79	371.98	7.41	-42.38
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COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=CS1	REAL300010890049	0	35	-1.0	-59.63	314.48	5.28	-54.35
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CC1CC(C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300010890083	0	43	-1.0	-49.48	333.68	5.41	-44.07
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890084	0	41	-1.0	-48.85	350.71	6.57	-42.28
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890085	0	46	-1.0	-56.38	365.79	4.92	-51.46
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CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890090	0	39	-1.0	-58.90	329.94	3.93	-54.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890091	0	37	-1.0	-54.82	306.04	5.97	-48.85
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CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890093	0	39	-1.0	-50.95	339.64	6.40	-44.55
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890094	0	39	-1.0	-50.25	325.20	5.26	-44.99
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O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(F)=C2)C1	REAL300010890096	0	32	-1.0	-46.80	287.14	5.13	-41.67
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CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300010890098	0	41	-1.0	-50.42	317.38	6.99	-43.43
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890099	0	47	-1.0	-46.86	353.55	7.63	-39.23
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CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890128	0	42	-1.0	-56.13	352.10	5.69	-50.44
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=C1	REAL300010890129	0	33	-1.0	-54.39	294.20	4.05	-50.34
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300010890130	0	42	-1.0	-55.75	347.94	4.73	-51.02
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300010890131	0	44	-1.0	-49.15	348.52	5.55	-43.60
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010890132	0	34	-1.0	-46.34	304.98	4.22	-42.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300010890133	0	38	-1.0	-51.34	325.44	4.06	-47.28
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890134	0	41	-1.0	-51.48	346.85	6.68	-44.80
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C#N	REAL300010890135	0	36	-1.0	-49.11	298.92	5.34	-43.77
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300010890136	0	40	-1.0	-51.95	333.08	3.60	-48.35
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890137	0	38	-1.0	-60.31	322.16	6.38	-53.93
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1CC	REAL300010890138	0	44	-1.0	-49.20	351.12	7.55	-41.65
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890139	0	40	-1.0	-47.07	325.46	7.08	-39.99
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C)O1	REAL300010890140	0	38	-1.0	-47.56	327.42	4.30	-43.26
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890141	0	33	-1.0	-44.15	290.24	2.92	-41.23
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890142	0	34	-1.0	-57.87	309.43	3.80	-54.07
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300010890143	0	38	-1.0	-47.35	321.12	6.33	-41.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300010890144	0	40	-1.0	-54.32	333.92	3.45	-50.87
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010890145	0	39	-1.0	-49.72	335.23	5.10	-44.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010890146	0	32	-1.0	-47.72	297.03	5.62	-42.10
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300010890147	0	31	-1.0	-46.91	285.81	3.69	-43.22
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890148	0	43	-1.0	-54.32	356.32	6.86	-47.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010890149	0	35	-1.0	-51.33	320.48	6.31	-45.02
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010890150	0	37	-1.0	-52.04	316.29	1.16	-50.88
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890151	0	35	-1.0	-49.15	297.73	5.92	-43.23
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890152	0	43	-1.0	-57.12	349.48	5.74	-51.38
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010890153	0	40	-1.0	-52.00	338.00	2.65	-49.35
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300010890154	0	42	-1.0	-50.22	326.08	5.70	-44.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300010890155	0	40	-1.0	-54.59	339.14	4.41	-50.18
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890156	0	41	-1.0	-52.04	352.67	6.40	-45.64
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010890157	0	43	-1.0	-51.31	349.81	5.13	-46.18
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890158	0	41	-1.0	-55.70	352.47	6.42	-49.28
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010890159	0	38	-1.0	-52.99	335.26	4.76	-48.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010890160	0	43	-1.0	-52.54	358.08	9.15	-43.39
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890161	0	42	-1.0	-54.33	359.74	5.95	-48.38
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890162	0	45	-1.0	-54.45	380.70	6.10	-48.35
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010890163	0	42	-1.0	-50.69	327.13	5.31	-45.38
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010890164	0	36	-1.0	-54.21	312.21	5.40	-48.81
CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890165	0	40	-1.0	-54.49	337.05	5.23	-49.26
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010890166	0	35	-1.0	-52.72	304.08	6.58	-46.14
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010890167	0	34	-1.0	-54.15	314.02	7.30	-46.85
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890168	0	37	-1.0	-62.08	299.07	7.07	-55.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010890169	0	34	-1.0	-49.74	309.71	5.93	-43.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010890170	0	29	-1.0	-49.25	282.05	4.77	-44.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010890171	0	36	-1.0	-52.40	304.84	5.12	-47.28
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010890172	0	40	-1.0	-49.02	317.38	6.07	-42.95
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010890173	0	34	-1.0	-54.89	309.36	4.40	-50.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300010890174	0	40	-1.0	-49.60	334.78	4.09	-45.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010890175	0	37	-1.0	-53.08	304.01	5.56	-47.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010890176	0	31	-1.0	-49.21	297.22	4.02	-45.19
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010890177	0	34	-1.0	-51.65	304.52	5.63	-46.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010890178	0	34	-1.0	-49.22	318.46	6.12	-43.10
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890179	0	41	-1.0	-58.21	354.77	3.48	-54.73
CCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010890180	0	37	-1.0	-60.08	325.94	5.78	-54.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010890181	0	34	-1.0	-55.48	301.40	6.18	-49.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010890182	0	34	-1.0	-46.74	308.51	5.77	-40.97
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010890183	0	39	-1.0	-51.11	344.77	5.72	-45.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010890184	0	34	-1.0	-53.10	308.55	7.21	-45.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010890185	0	46	-1.0	-51.30	385.11	8.32	-42.98
CC1(C)C2CCC1(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)C2	REAL300010890186	0	47	-1.0	-57.10	350.80	7.46	-49.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890187	0	40	-1.0	-64.57	353.50	1.59	-62.98
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890188	0	40	-1.0	-51.94	337.14	6.25	-45.69
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890189	0	45	-1.0	-51.14	362.15	3.87	-47.27
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010890190	0	41	-1.0	-53.99	349.20	6.10	-47.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300010890191	0	42	-1.0	-55.34	359.86	6.59	-48.75
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890192	0	54	-1.0	-49.36	412.21	7.98	-41.38
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890193	0	40	-1.0	-59.37	351.19	1.65	-57.72
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300010890194	0	35	-1.0	-52.24	304.06	5.83	-46.41
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010890195	0	38	-1.0	-52.00	339.15	2.53	-49.47
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1F	REAL300010890196	0	35	-1.0	-45.29	301.61	5.60	-39.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890197	0	39	-1.0	-51.74	335.98	6.04	-45.70
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890198	0	44	-1.0	-52.83	364.60	6.57	-46.26
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2F)N=C1	REAL300010890199	0	42	-1.0	-49.68	357.65	6.85	-42.83
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890200	0	39	-1.0	-50.84	350.03	4.84	-46.00
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890201	0	39	-1.0	-58.74	338.02	-0.26	-59.00
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890202	0	35	-1.0	-47.84	301.61	5.60	-42.24
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010890203	0	37	-1.0	-49.02	326.29	6.52	-42.50
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010890204	0	38	-1.0	-50.95	327.44	6.27	-44.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010890205	0	29	-1.0	-47.09	295.26	5.03	-42.06
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300010890206	0	44	-1.0	-53.65	367.54	7.01	-46.64
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300010890207	0	32	-1.0	-47.47	281.20	4.94	-42.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300010890208	0	32	-1.0	-51.08	297.61	5.58	-45.50
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010890209	0	38	-1.0	-51.78	328.49	6.51	-45.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010890210	0	38	-1.0	-53.32	347.09	5.73	-47.59
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C12	REAL300010890211	0	40	-1.0	-53.21	340.21	4.75	-48.46
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890212	0	39	-1.0	-53.90	342.51	5.62	-48.28
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300010890213	0	35	-1.0	-50.69	324.23	6.41	-44.28
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C12	REAL300010890214	0	36	-1.0	-54.49	313.64	2.01	-52.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300010890215	0	41	-1.0	-52.49	355.40	7.88	-44.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010890216	0	34	-1.0	-54.89	309.36	4.40	-50.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300010890217	0	34	-1.0	-48.91	309.71	5.94	-42.97
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890218	0	38	-1.0	-56.19	320.27	6.62	-49.57
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300010890219	0	35	-1.0	-54.42	311.08	6.19	-48.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300010890220	0	44	-1.0	-61.72	371.32	3.63	-58.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010890221	0	39	-1.0	-50.38	343.86	5.54	-44.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010890222	0	32	-1.0	-49.77	300.66	5.85	-43.92
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CN=C21	REAL300010890223	0	40	-1.0	-52.65	343.73	2.40	-50.25
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010890224	0	41	-1.0	-52.19	355.25	6.59	-45.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300010890225	0	40	-1.0	-54.54	331.62	5.73	-48.81
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CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010890227	0	38	-1.0	-53.02	337.63	7.82	-45.20
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CC1(C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1	REAL300010890329	0	41	-1.0	-48.95	320.02	3.24	-45.71
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CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010890333	0	45	-1.0	-62.15	361.54	6.35	-55.80
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300010890334	0	44	-1.0	-50.59	347.79	1.99	-48.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010890335	0	38	-1.0	-49.05	342.47	3.12	-45.93
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890336	0	41	-1.0	-49.37	356.91	6.68	-42.69
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890337	0	39	-1.0	-50.19	313.68	4.67	-45.52
CCC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010890338	0	41	-1.0	-53.67	347.20	5.06	-48.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010890339	0	49	-1.0	-59.67	386.83	6.79	-52.88
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890340	0	45	-1.0	-51.56	379.98	6.73	-44.83
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(Cl)=C1	REAL300010890341	0	33	-1.0	-51.97	300.10	5.62	-46.35
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890342	0	36	-1.0	-48.30	325.37	5.52	-42.78
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O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010890345	0	52	-1.0	-55.45	390.95	6.61	-48.84
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CC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010890348	0	35	-1.0	-48.91	295.23	5.54	-43.37
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890349	0	38	-1.0	-49.01	322.89	2.66	-46.35
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010890350	0	34	-1.0	-47.64	309.36	4.36	-43.28
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=N1	REAL300010890351	0	34	-1.0	-54.02	307.84	3.29	-50.73
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890352	0	38	-1.0	-52.82	335.08	5.75	-47.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300010891001	0	42	-1.0	-49.01	344.65	7.32	-41.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010891002	0	36	-1.0	-59.91	321.83	4.07	-55.84
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300010891003	0	41	-1.0	-58.23	356.74	6.88	-51.35
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010891004	0	42	-1.0	-53.28	356.07	7.89	-45.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010891005	0	41	-1.0	-54.96	326.35	2.50	-52.46
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891006	0	41	-1.0	-58.27	346.80	5.90	-52.37
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010891007	0	45	-1.0	-51.24	341.50	7.03	-44.21
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010891008	0	36	-1.0	-47.79	317.91	6.32	-41.47
COC(=O)C1CCCCN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891009	0	43	-1.0	-50.82	332.98	5.43	-45.39
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010891010	0	54	-1.0	-49.19	403.71	9.17	-40.02
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010891011	0	35	-1.0	-47.48	319.51	5.80	-41.68
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010891012	0	43	-1.0	-51.48	351.52	6.14	-45.34
CC1=CC=CC(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891013	0	40	-1.0	-47.81	332.19	4.80	-43.01
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=NN1	REAL300010891014	0	38	-1.0	-51.55	334.21	2.82	-48.73
COC1=CSC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010891015	0	37	-1.0	-48.44	325.13	3.68	-44.76
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891016	0	35	-1.0	-50.93	328.41	4.31	-46.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010891017	0	44	-1.0	-48.75	334.16	5.48	-43.27
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891018	0	43	-1.0	-50.30	354.60	6.88	-43.42
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891019	0	36	-1.0	-50.26	324.36	6.14	-44.12
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COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010891021	0	36	-1.0	-51.91	311.84	4.61	-47.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010891022	0	36	-1.0	-48.21	319.54	4.63	-43.58
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891023	0	38	-1.0	-52.28	317.25	5.02	-47.26
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010891024	0	35	-1.0	-55.17	307.09	6.48	-48.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010891025	0	41	-1.0	-50.93	352.75	5.51	-45.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010891026	0	29	-1.0	-45.35	299.41	5.10	-40.25
CN1N=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010891027	0	32	-1.0	-49.62	290.09	2.94	-46.68
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891028	0	45	-1.0	-51.91	363.92	7.37	-44.54
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010891029	0	49	-1.0	-49.82	392.51	6.90	-42.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010891030	0	35	-1.0	-44.42	330.32	6.41	-38.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010891031	0	37	-1.0	-51.55	325.34	5.66	-45.89
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891032	0	40	-1.0	-55.69	330.55	4.44	-51.25
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010891033	0	43	-1.0	-49.01	364.47	7.91	-41.10
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891034	0	38	-1.0	-59.51	314.33	6.92	-52.59
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891035	0	35	-1.0	-58.66	306.35	2.56	-56.10
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010891036	0	37	-1.0	-56.65	328.75	3.61	-53.04
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010891037	0	33	-1.0	-55.14	314.41	3.84	-51.30
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891038	0	34	-1.0	-45.99	292.61	4.02	-41.97
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891039	0	43	-1.0	-51.03	357.53	6.66	-44.37
CCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010891040	0	42	-1.0	-50.91	337.31	5.25	-45.66
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010891041	0	36	-1.0	-60.38	303.38	4.00	-56.38
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010891042	0	38	-1.0	-48.33	336.70	7.77	-40.56
CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300010891043	0	40	-1.0	-51.86	333.65	4.20	-47.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010891044	0	42	-1.0	-50.61	364.81	8.96	-41.65
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010891045	0	35	-1.0	-54.64	332.34	5.97	-48.67
CCC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010891046	0	38	-1.0	-46.92	333.09	6.86	-40.06
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891047	0	45	-1.0	-47.67	359.48	6.14	-41.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300010891048	0	29	-1.0	-47.90	282.71	4.54	-43.36
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891049	0	46	-1.0	-53.77	374.95	5.35	-48.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010891050	0	38	-1.0	-54.14	326.31	7.55	-46.59
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891051	0	40	-1.0	-50.95	323.22	2.68	-48.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300010891052	0	39	-1.0	-51.74	311.74	7.07	-44.67
CC1(C)CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010891053	0	43	-1.0	-49.25	326.77	5.08	-44.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(CO)CC2)C1	REAL300010891054	0	41	-1.0	-51.63	323.97	1.49	-50.14
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891055	0	46	-1.0	-56.89	386.41	5.34	-51.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010891056	0	47	-1.0	-50.75	375.75	5.41	-45.34
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891057	0	35	-1.0	-47.98	311.29	2.74	-45.24
COC1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010891058	0	38	-1.0	-50.57	321.16	2.45	-48.12
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010891059	0	41	-1.0	-54.12	341.28	5.13	-48.99
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891060	0	41	-1.0	-52.09	333.06	4.60	-47.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010891061	0	31	-1.0	-53.47	301.51	2.97	-50.50
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COCC1=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=NO1	REAL300010891063	0	38	-1.0	-59.02	328.20	2.91	-56.11
N#CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=C1	REAL300010891064	0	30	-1.0	-54.65	285.99	4.46	-50.19
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CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010891067	0	36	-1.0	-61.26	322.27	3.06	-58.20
CC1=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010891068	0	38	-1.0	-48.06	311.81	6.27	-41.79
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COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891070	0	36	-1.0	-51.36	317.92	5.48	-45.88
COC1=CC=NC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891071	0	35	-1.0	-52.21	294.13	2.98	-49.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010891072	0	34	-1.0	-51.22	309.77	4.10	-47.12
COC1=NC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010891073	0	35	-1.0	-46.62	303.39	1.84	-44.78
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010891074	0	41	-1.0	-57.40	355.05	4.09	-53.31
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891075	0	39	-1.0	-55.37	330.65	2.93	-52.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010891076	0	36	-1.0	-48.93	336.95	7.12	-41.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010891077	0	37	-1.0	-50.40	323.68	6.91	-43.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010891078	0	31	-1.0	-52.61	295.70	3.81	-48.80
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N=C1	REAL300010891079	0	43	-1.0	-54.28	346.46	5.40	-48.88
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891080	0	38	-1.0	-49.29	315.10	4.27	-45.02
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010891081	0	40	-1.0	-52.11	324.05	6.26	-45.85
COC(=O)C1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010891082	0	40	-1.0	-48.34	341.11	4.37	-43.97
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891083	0	35	-1.0	-55.93	307.93	6.97	-48.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300010891084	0	39	-1.0	-49.18	327.53	5.11	-44.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010891085	0	39	-1.0	-53.53	330.15	6.08	-47.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010891086	0	34	-1.0	-52.98	304.14	4.02	-48.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300010891087	0	37	-1.0	-53.31	308.70	5.39	-47.92
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300010891088	0	41	-1.0	-49.23	332.15	4.66	-44.57
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010891089	0	39	-1.0	-51.57	335.56	7.22	-44.35
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010891090	0	34	-1.0	-50.05	301.67	4.03	-46.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010891091	0	32	-1.0	-48.66	290.62	5.55	-43.11
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=C1NCCC2	REAL300010891092	0	44	-1.0	-51.92	336.26	5.45	-46.47
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010891093	0	46	-1.0	-51.19	382.05	8.52	-42.67
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010891094	0	39	-1.0	-52.63	335.39	7.27	-45.36
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2Br)C1	REAL300010891095	0	29	-1.0	-51.90	274.83	4.24	-47.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010891096	0	36	-1.0	-49.38	319.88	5.29	-44.09
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891097	0	34	-1.0	-45.93	297.20	4.09	-41.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010891098	0	37	-1.0	-55.97	311.16	5.44	-50.53
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891099	0	41	-1.0	-58.03	341.73	6.81	-51.22
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010891100	0	43	-1.0	-52.54	358.08	9.15	-43.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010891101	0	35	-1.0	-56.52	310.49	5.89	-50.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010891102	0	31	-1.0	-46.78	290.38	3.80	-42.98
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010891103	0	34	-1.0	-55.53	299.12	4.37	-51.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010891104	0	35	-1.0	-47.54	305.67	4.70	-42.84
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891105	0	40	-1.0	-56.92	330.25	0.76	-56.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300010891106	0	39	-1.0	-49.56	305.04	3.13	-46.43
N#CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010891107	0	38	-1.0	-53.73	312.15	4.50	-49.23
CC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010891108	0	34	-1.0	-49.37	310.21	4.22	-45.15
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010891109	0	31	-1.0	-47.93	303.31	4.32	-43.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010891110	0	36	-1.0	-61.39	321.90	4.29	-57.10
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010891111	0	36	-1.0	-51.02	312.21	6.27	-44.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010891112	0	36	-1.0	-50.63	322.52	6.73	-43.90
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891113	0	41	-1.0	-58.29	354.17	4.56	-53.73
COC1=CC=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891114	0	35	-1.0	-53.95	300.21	2.40	-51.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010891115	0	39	-1.0	-51.03	319.82	6.84	-44.19
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010891116	0	35	-1.0	-53.66	314.51	6.33	-47.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010891117	0	36	-1.0	-50.29	322.26	4.75	-45.54
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300010891118	0	39	-1.0	-56.63	326.85	5.71	-50.92
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010891119	0	45	-1.0	-55.01	378.00	6.62	-48.39
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010891120	0	45	-1.0	-53.35	373.24	7.56	-45.79
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N=C1	REAL300010891121	0	35	-1.0	-53.72	299.48	2.37	-51.35
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891122	0	38	-1.0	-48.24	333.41	3.20	-45.04
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891123	0	38	-1.0	-50.79	336.36	7.12	-43.67
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891124	0	37	-1.0	-58.80	316.69	5.02	-53.78
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891125	0	38	-1.0	-57.24	323.02	6.23	-51.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010891126	0	37	-1.0	-50.94	304.61	5.39	-45.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2I)C1	REAL300010891127	0	32	-1.0	-49.42	287.37	5.76	-43.66
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891128	0	38	-1.0	-55.56	319.88	4.13	-51.43
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010891129	0	43	-1.0	-49.76	370.68	6.00	-43.76
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010891130	0	40	-1.0	-55.42	325.87	6.61	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010891131	0	28	-1.0	-45.82	278.97	3.19	-42.63
NC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891132	0	34	-1.0	-51.60	310.26	3.53	-48.07
O=C([O-])[C@@H]1CCCN(C(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010891133	0	39	-1.0	-41.98	302.33	7.41	-34.57
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010891134	0	34	-1.0	-45.05	297.59	4.22	-40.83
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010891135	0	34	-1.0	-55.89	287.12	4.12	-51.77
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010891136	0	32	-1.0	-45.84	293.21	5.17	-40.67
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010891137	0	34	-1.0	-53.50	302.97	3.96	-49.54
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300010891138	0	39	-1.0	-49.47	341.81	5.79	-43.68
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC[C@@H](C(=O)[O-])C1)C2	REAL300010891139	0	49	-1.0	-54.68	335.01	9.15	-45.53
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891140	0	45	-1.0	-54.89	359.58	7.06	-47.83
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010891141	1	37	-1.0	-51.98	325.53	4.03	-47.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010891142	0	38	-1.0	-53.98	308.28	7.91	-46.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010891143	0	31	-1.0	-48.40	258.38	3.78	-44.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010891144	0	32	-1.0	-49.96	282.14	6.30	-43.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010891145	0	32	-1.0	-51.42	265.32	5.72	-45.70
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891146	0	44	-1.0	-53.24	325.13	8.33	-44.91
COC(=O)CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891147	0	41	-1.0	-56.38	328.79	6.16	-50.22
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891148	0	38	-1.0	-66.72	302.21	6.90	-59.82
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891149	0	41	-1.0	-54.46	337.53	7.28	-47.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010891150	0	32	-1.0	-47.36	278.34	6.10	-41.26
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891151	0	38	-1.0	-64.61	316.41	6.44	-58.17
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891152	0	44	-1.0	-54.96	336.58	7.97	-46.99
CC(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891153	0	41	-1.0	-54.89	320.63	7.58	-47.31
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891154	0	44	-1.0	-54.75	339.05	8.23	-46.52
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891155	0	43	-1.0	-56.75	356.48	3.68	-53.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010891156	0	36	-1.0	-50.63	295.28	2.51	-48.12
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891157	0	42	-1.0	-57.34	343.09	4.70	-52.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010891158	0	34	-1.0	-42.94	291.35	6.29	-36.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010891159	0	32	-1.0	-59.66	285.10	7.05	-52.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010891160	0	29	-1.0	-47.71	269.00	5.26	-42.45
CCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891161	0	41	-1.0	-55.24	325.28	7.90	-47.34
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010891162	0	32	-1.0	-46.42	284.42	6.24	-40.18
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010891163	0	36	-1.0	-56.34	310.80	5.66	-50.68
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891164	0	43	-1.0	-58.26	339.63	4.31	-53.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010891165	0	32	-1.0	-42.51	274.93	5.60	-36.91
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010891166	0	32	-1.0	-48.56	293.25	6.73	-41.83
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010891167	0	32	-1.0	-51.62	263.07	5.62	-46.00
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891168	0	44	-1.0	-58.94	369.29	7.01	-51.93
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891169	0	44	-1.0	-63.34	358.06	7.50	-55.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010891170	0	32	-1.0	-58.58	268.23	5.82	-52.76
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010891171	0	31	-1.0	-52.56	272.75	4.27	-48.29
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010891172	0	32	-1.0	-46.81	279.23	6.00	-40.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010891173	0	35	-1.0	-52.05	301.70	7.22	-44.83
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010891174	0	35	-1.0	-50.78	299.05	6.88	-43.90
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1NC(C)=O	REAL300010891175	0	43	-1.0	-60.34	344.38	3.96	-56.38
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010891176	0	36	-1.0	-48.43	306.36	5.44	-42.99
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010891177	0	47	-1.0	-52.84	328.76	7.97	-44.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010891178	0	41	-1.0	-59.30	323.71	5.63	-53.67
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891179	0	37	-1.0	-62.92	304.13	6.84	-56.08
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010891180	0	29	-1.0	-47.75	273.63	5.36	-42.39
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010891181	0	38	-1.0	-48.19	305.25	7.34	-40.85
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891182	0	36	-1.0	-56.71	305.34	6.01	-50.70
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891183	0	50	-1.0	-51.85	363.70	9.39	-42.46
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010891184	0	48	-1.0	-54.82	362.75	9.49	-45.33
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010891185	0	35	-1.0	-49.99	299.61	6.68	-43.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010891186	0	42	-1.0	-55.72	322.29	8.18	-47.54
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891187	0	40	-1.0	-62.27	313.68	4.70	-57.57
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010891188	0	40	-1.0	-55.98	319.64	4.91	-51.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010891189	0	42	-1.0	-57.16	358.14	5.28	-51.88
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010891190	0	39	-1.0	-57.71	306.41	7.59	-50.12
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891191	0	39	-1.0	-54.14	334.84	3.82	-50.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010891192	0	40	-1.0	-56.92	315.76	8.13	-48.79
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010891193	0	32	-1.0	-52.58	268.74	5.55	-47.03
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891194	0	42	-1.0	-72.61	320.07	4.76	-67.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010891195	0	29	-1.0	-47.62	274.47	5.33	-42.29
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891196	0	47	-1.0	-55.16	364.35	9.19	-45.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010891197	0	38	-1.0	-61.17	298.25	7.80	-53.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010891198	0	42	-1.0	-56.51	335.08	9.10	-47.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010891199	0	35	-1.0	-45.20	301.86	6.61	-38.59
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891200	0	35	-1.0	-56.03	272.04	5.68	-50.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010891201	0	32	-1.0	-53.58	303.43	7.60	-45.98
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891202	0	47	-1.0	-55.08	351.32	8.47	-46.61
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891203	0	35	-1.0	-49.40	294.65	6.59	-42.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010891204	0	32	-1.0	-46.17	279.90	5.87	-40.30
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891205	0	35	-1.0	-52.53	283.91	6.16	-46.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010891206	0	32	-1.0	-47.08	289.36	6.15	-40.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010891207	0	35	-1.0	-51.72	301.39	6.49	-45.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010891208	0	32	-1.0	-45.90	289.54	6.15	-39.75
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010891209	0	32	-1.0	-46.88	275.23	5.60	-41.28
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010891210	0	33	-1.0	-48.04	276.27	4.32	-43.72
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891211	0	35	-1.0	-50.55	286.27	6.40	-44.15
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010891212	0	35	-1.0	-52.61	305.22	6.75	-45.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010891213	0	37	-1.0	-61.28	295.52	6.59	-54.69
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010891214	0	35	-1.0	-51.75	291.36	6.77	-44.98
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010891215	0	43	-1.0	-55.75	366.27	8.99	-46.76
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010891216	0	32	-1.0	-47.92	278.74	5.98	-41.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010891217	0	32	-1.0	-45.84	271.84	5.81	-40.03
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891218	0	38	-1.0	-49.37	312.44	6.09	-43.28
CC1=CC=C(F)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891219	0	35	-1.0	-53.24	283.74	6.16	-47.08
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891220	0	36	-1.0	-58.64	296.61	5.06	-53.58
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891221	0	35	-1.0	-48.80	285.91	6.19	-42.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010891222	0	32	-1.0	-45.11	272.84	5.45	-39.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010891223	0	32	-1.0	-51.90	286.19	6.15	-45.75
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300010891224	0	47	-1.0	-53.29	379.43	7.80	-45.49
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891225	0	39	-1.0	-57.76	332.01	5.41	-52.35
CN(C1CCCCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891226	0	43	-1.0	-44.95	313.52	5.91	-39.04
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010891227	0	48	-1.0	-60.62	367.88	8.78	-51.84
N#CC1=CC=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891228	0	36	-1.0	-50.64	307.55	6.81	-43.83
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010891229	0	35	-1.0	-59.53	301.83	7.60	-51.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010891230	0	35	-1.0	-48.10	318.59	7.40	-40.70
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010891231	0	42	-1.0	-60.49	326.62	7.15	-53.34
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010891232	0	39	-1.0	-53.35	311.45	3.11	-50.24
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010891233	0	40	-1.0	-53.13	322.73	3.08	-50.05
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891234	0	37	-1.0	-49.44	291.59	6.46	-42.98
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891235	0	39	-1.0	-60.42	317.89	4.31	-56.11
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891236	0	37	-1.0	-46.40	286.10	6.26	-40.14
CN1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010891237	0	32	-1.0	-62.36	279.19	5.89	-56.47
CC1=CC(F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891238	0	35	-1.0	-56.72	288.72	6.42	-50.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891239	0	38	-1.0	-57.53	331.06	6.86	-50.67
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010891240	0	31	-1.0	-57.38	280.09	5.02	-52.36
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891241	0	41	-1.0	-68.41	345.92	3.87	-64.54
CC(=O)NC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891242	0	39	-1.0	-55.92	321.78	4.67	-51.25
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C21	REAL300010891243	0	46	-1.0	-77.02	353.25	7.17	-69.85
CS(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891244	0	37	-1.0	-63.67	311.85	1.72	-61.95
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300010891245	0	42	-1.0	-54.33	311.48	5.50	-48.83
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010891246	0	32	-1.0	-51.74	271.73	5.78	-45.96
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C21	REAL300010891247	0	43	-1.0	-53.65	344.19	5.18	-48.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010891248	0	35	-1.0	-51.19	307.94	7.04	-44.15
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010891249	0	32	-1.0	-50.15	295.31	6.57	-43.58
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891250	0	45	-1.0	-63.56	364.59	5.47	-58.09
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891251	0	46	-1.0	-63.79	366.07	4.43	-59.36
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891252	0	40	-1.0	-50.88	318.38	7.76	-43.12
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891253	0	44	-1.0	-54.91	341.56	8.34	-46.57
COCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891254	0	42	-1.0	-54.91	337.45	6.19	-48.72
COCCN(CCOC)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891255	0	44	-1.0	-51.91	336.21	3.04	-48.87
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891256	0	35	-1.0	-55.92	280.50	6.34	-49.58
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891257	0	48	-1.0	-54.60	372.80	8.02	-46.58
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010891258	0	46	-1.0	-52.97	354.39	7.80	-45.17
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891259	0	45	-1.0	-54.89	353.84	7.41	-47.48
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891260	0	42	-1.0	-54.84	333.73	6.71	-48.13
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891261	0	36	-1.0	-56.58	306.41	5.55	-51.03
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010891262	0	36	-1.0	-53.11	314.45	5.62	-47.49
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891263	0	39	-1.0	-55.35	309.11	5.74	-49.61
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300010891264	0	45	-1.0	-55.21	349.32	7.34	-47.87
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010891265	0	39	-1.0	-54.90	292.82	5.09	-49.81
COCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891266	0	43	-1.0	-58.06	345.86	5.19	-52.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010891267	0	35	-1.0	-59.59	289.51	6.37	-53.22
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891268	0	43	-1.0	-56.15	351.59	5.35	-50.80
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010891269	0	47	-1.0	-52.42	366.93	5.13	-47.29
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010891270	0	35	-1.0	-51.61	286.85	6.40	-45.21
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891271	0	38	-1.0	-63.54	323.86	3.16	-60.38
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891272	0	38	-1.0	-62.25	318.98	7.44	-54.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010891273	0	37	-1.0	-53.40	300.09	5.85	-47.55
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891274	0	36	-1.0	-58.03	299.12	5.91	-52.12
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891275	0	36	-1.0	-51.13	284.09	6.19	-44.94
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891276	0	33	-1.0	-45.99	283.19	5.87	-40.12
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891277	0	36	-1.0	-43.33	305.42	6.41	-36.92
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010891278	0	42	-1.0	-52.30	342.98	6.39	-45.91
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891279	0	41	-1.0	-53.91	330.49	6.90	-47.01
COC(=O)CCN(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891280	0	39	-1.0	-45.48	311.58	4.33	-41.15
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891281	0	42	-1.0	-52.09	326.02	0.93	-51.16
CN(C1CCOCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891282	0	41	-1.0	-46.20	305.86	3.65	-42.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010891283	0	41	-1.0	-69.59	329.57	5.76	-63.83
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010891284	0	41	-1.0	-60.32	322.95	6.51	-53.81
CCN1N=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891285	0	41	-1.0	-55.30	320.24	5.73	-49.57
CC(C)N1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891286	0	38	-1.0	-57.22	304.83	4.65	-52.57
CC(C)CN1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891287	0	41	-1.0	-56.88	328.75	6.42	-50.46
CC(C)N1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891288	0	38	-1.0	-55.78	309.66	5.82	-49.96
CC(C)C1=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1	REAL300010891289	0	38	-1.0	-52.59	303.80	4.01	-48.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891290	0	44	-1.0	-55.78	311.02	8.12	-47.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010891291	0	45	-1.0	-63.71	361.47	8.40	-55.31
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891292	0	40	-1.0	-55.28	325.65	5.10	-50.18
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1Cl	REAL300010891293	0	39	-1.0	-56.97	339.28	5.41	-51.56
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010891294	0	39	-1.0	-57.04	324.00	6.66	-50.38
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1F	REAL300010891295	0	38	-1.0	-45.92	324.63	6.19	-39.73
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010891296	0	36	-1.0	-47.27	307.00	5.44	-41.83
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010891297	0	42	-1.0	-57.86	345.40	7.32	-50.54
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(Br)O1	REAL300010891298	0	35	-1.0	-51.35	311.71	4.63	-46.72
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C(Br)S1	REAL300010891299	0	32	-1.0	-53.66	278.77	5.60	-48.06
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1	REAL300010891300	0	36	-1.0	-49.18	303.90	3.95	-45.23
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891301	0	33	-1.0	-51.57	297.11	6.49	-45.08
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891302	0	40	-1.0	-47.70	299.67	7.51	-40.19
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891303	0	38	-1.0	-59.77	317.84	6.28	-53.49
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891304	0	41	-1.0	-68.23	324.90	3.42	-64.81
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010891305	0	36	-1.0	-51.62	305.62	7.08	-44.54
N#CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010891306	0	33	-1.0	-53.12	296.62	6.46	-46.66
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891307	0	48	-1.0	-59.38	371.27	7.24	-52.14
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010891308	0	43	-1.0	-72.15	348.96	5.68	-66.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010891309	0	44	-1.0	-56.66	369.41	3.50	-53.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891310	0	40	-1.0	-57.10	337.02	1.81	-55.29
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891311	0	42	-1.0	-61.21	356.35	4.59	-56.62
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])O1	REAL300010891312	0	35	-1.0	-57.67	303.63	5.18	-52.49
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891313	0	38	-1.0	-52.09	319.83	5.20	-46.89
CC1=NC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891314	0	34	-1.0	-51.18	284.78	4.12	-47.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010891315	0	34	-1.0	-65.86	272.92	6.79	-59.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010891316	0	35	-1.0	-49.86	320.23	7.42	-42.44
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(C)N1	REAL300010891317	0	45	-1.0	-62.49	350.26	6.22	-56.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010891318	0	32	-1.0	-60.59	284.20	6.72	-53.87
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300010891319	0	38	-1.0	-55.75	339.69	6.22	-49.53
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010891320	0	52	-1.0	-54.86	395.46	9.30	-45.56
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010891321	0	42	-1.0	-54.51	358.10	5.26	-49.25
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010891322	0	32	-1.0	-49.92	288.62	6.79	-43.13
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891323	0	41	-1.0	-66.16	318.49	6.49	-59.67
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010891324	0	34	-1.0	-57.98	296.52	7.35	-50.63
COC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010891325	0	40	-1.0	-52.14	320.91	4.69	-47.45
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010891326	0	43	-1.0	-57.69	322.44	5.03	-52.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010891327	0	34	-1.0	-59.40	305.16	8.23	-51.17
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010891328	0	35	-1.0	-60.54	297.71	6.02	-54.52
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891329	0	33	-1.0	-44.28	273.11	5.48	-38.80
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891330	0	33	-1.0	-44.55	283.42	5.93	-38.62
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010891331	0	35	-1.0	-49.51	298.68	6.68	-42.83
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891332	0	35	-1.0	-49.95	268.94	5.88	-44.07
COC(=O)CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891333	0	38	-1.0	-53.22	319.90	4.37	-48.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010891334	0	38	-1.0	-55.87	312.69	8.22	-47.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010891335	0	37	-1.0	-49.15	313.21	7.36	-41.79
CC1=C(Br)SC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891336	0	32	-1.0	-48.37	293.43	5.98	-42.39
N#CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891337	0	36	-1.0	-60.04	302.65	6.82	-53.22
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300010891338	0	38	-1.0	-46.94	325.16	6.45	-40.49
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010891339	0	50	-1.0	-51.70	345.52	7.08	-44.62
CC1=NC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300010891340	0	40	-1.0	-62.34	315.61	7.24	-55.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010891341	0	43	-1.0	-56.33	337.21	4.11	-52.22
CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1Br	REAL300010891342	0	35	-1.0	-52.11	283.65	6.29	-45.82
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891343	0	38	-1.0	-59.45	315.26	6.52	-52.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010891344	0	40	-1.0	-55.48	318.80	3.37	-52.11
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010891345	0	38	-1.0	-48.66	316.42	6.44	-42.22
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891346	0	38	-1.0	-56.67	302.60	6.83	-49.84
COCCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891347	0	39	-1.0	-49.31	320.27	3.22	-46.09
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010891348	0	45	-1.0	-60.22	348.47	8.08	-52.14
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891349	0	42	-1.0	-58.18	326.64	6.91	-51.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010891350	0	37	-1.0	-70.41	307.89	5.86	-64.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010891351	0	39	-1.0	-57.72	320.63	6.68	-51.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010891352	0	34	-1.0	-58.42	305.29	6.82	-51.60
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891353	0	33	-1.0	-46.36	272.60	5.44	-40.92
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891354	0	46	-1.0	-58.01	367.71	6.15	-51.86
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891355	0	48	-1.0	-54.63	376.73	8.28	-46.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010891356	0	34	-1.0	-47.75	280.22	6.78	-40.97
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891357	0	38	-1.0	-53.01	318.51	6.18	-46.83
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010891358	0	38	-1.0	-47.98	330.44	6.68	-41.30
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891359	0	42	-1.0	-67.08	338.67	6.04	-61.04
COC(=O)C1=CSC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891360	0	35	-1.0	-61.39	310.73	5.41	-55.98
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891361	0	44	-1.0	-66.02	335.39	7.03	-58.99
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010891362	0	41	-1.0	-56.50	332.73	6.79	-49.71
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891363	0	38	-1.0	-60.36	317.18	6.12	-54.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010891364	0	42	-1.0	-57.34	313.45	8.04	-49.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010891365	0	38	-1.0	-53.73	312.39	7.63	-46.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010891366	0	31	-1.0	-49.36	275.82	4.47	-44.89
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010891367	0	36	-1.0	-48.43	316.75	7.13	-41.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010891368	0	32	-1.0	-50.05	286.19	6.16	-43.89
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010891369	0	39	-1.0	-78.92	325.50	3.55	-75.37
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891370	0	35	-1.0	-50.56	281.53	6.29	-44.27
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010891371	0	36	-1.0	-50.44	310.82	5.67	-44.77
CC1(C)CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010891372	0	43	-1.0	-54.34	337.01	6.94	-47.40
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891373	0	40	-1.0	-56.05	338.45	2.31	-53.74
CCC(=O)NCC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300010891374	0	49	-1.0	-55.13	391.29	4.82	-50.31
COC1=CC=C(Br)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891375	0	36	-1.0	-55.73	294.14	4.88	-50.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891376	0	41	-1.0	-63.78	343.07	4.11	-59.67
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010891377	0	34	-1.0	-50.49	309.16	5.60	-44.89
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891378	0	37	-1.0	-65.50	305.81	6.11	-59.39
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891379	0	33	-1.0	-49.79	301.67	6.69	-43.10
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010891380	0	39	-1.0	-54.85	330.93	6.39	-48.46
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010891381	0	37	-1.0	-47.25	311.57	1.10	-46.15
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2S1	REAL300010891382	0	46	-1.0	-54.57	373.89	7.64	-46.93
COC(=O)CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891383	0	41	-1.0	-56.38	328.79	6.16	-50.22
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891384	0	37	-1.0	-59.33	316.06	5.41	-53.92
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010891385	0	37	-1.0	-55.38	296.85	4.98	-50.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010891386	0	40	-1.0	-60.93	326.58	6.96	-53.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010891387	0	38	-1.0	-54.82	300.56	1.85	-52.97
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891388	0	42	-1.0	-51.94	339.34	6.62	-45.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010891389	0	37	-1.0	-59.65	308.68	5.83	-53.82
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010891390	0	42	-1.0	-54.21	315.11	6.06	-48.15
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891391	0	40	-1.0	-64.91	337.51	1.87	-63.04
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891392	0	41	-1.0	-65.95	329.68	6.98	-58.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010891393	0	36	-1.0	-55.87	293.90	5.67	-50.20
CSC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891394	0	36	-1.0	-54.98	300.57	6.67	-48.31
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891395	0	44	-1.0	-54.17	359.03	8.07	-46.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010891396	0	38	-1.0	-49.94	325.42	7.42	-42.52
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891397	0	43	-1.0	-53.01	325.50	7.37	-45.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010891398	0	31	-1.0	-43.41	275.17	4.18	-39.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010891399	0	38	-1.0	-56.61	295.94	5.09	-51.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010891400	0	37	-1.0	-54.72	287.93	5.48	-49.24
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891401	0	35	-1.0	-55.57	285.05	6.45	-49.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010891402	0	40	-1.0	-52.77	319.35	4.88	-47.89
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891403	0	48	-1.0	-64.16	375.52	6.49	-57.67
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300010891404	0	46	-1.0	-56.52	363.34	6.75	-49.77
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300010891405	0	38	-1.0	-45.63	309.27	4.47	-41.16
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891406	0	38	-1.0	-59.44	295.69	4.80	-54.64
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891407	0	37	-1.0	-57.12	314.59	0.61	-56.51
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010891408	0	43	-1.0	-57.43	339.17	6.72	-50.71
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891409	0	46	-1.0	-61.20	351.66	7.22	-53.98
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891410	0	40	-1.0	-62.70	309.28	7.02	-55.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891411	0	38	-1.0	-54.44	315.14	6.33	-48.11
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891412	0	43	-1.0	-59.06	341.41	6.80	-52.26
CNC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891413	0	39	-1.0	-60.95	317.33	3.97	-56.98
NC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891414	0	36	-1.0	-60.35	294.88	2.44	-57.91
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2CC1C	REAL300010891415	0	46	-1.0	-68.92	357.04	7.21	-61.71
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=CS1	REAL300010891416	0	35	-1.0	-62.29	299.49	5.44	-56.85
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891417	0	35	-1.0	-50.94	308.11	5.44	-45.50
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010891418	0	36	-1.0	-51.90	316.19	6.88	-45.02
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891419	0	38	-1.0	-62.83	314.64	4.36	-58.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010891420	0	38	-1.0	-56.08	317.46	2.68	-53.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010891421	0	38	-1.0	-51.87	311.64	2.93	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010891422	0	38	-1.0	-52.28	313.67	2.86	-49.42
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300010891423	0	40	-1.0	-60.63	317.22	7.23	-53.40
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010891424	0	38	-1.0	-62.50	309.27	6.13	-56.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891425	0	36	-1.0	-52.66	300.98	5.94	-46.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010891426	0	36	-1.0	-50.61	300.52	5.87	-44.74
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891427	0	37	-1.0	-64.56	315.09	0.66	-63.90
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891428	0	38	-1.0	-52.36	315.63	6.34	-46.02
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010891429	0	44	-1.0	-54.12	369.89	3.53	-50.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010891430	0	37	-1.0	-50.09	314.86	7.09	-43.00
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010891431	0	35	-1.0	-51.05	293.05	6.49	-44.56
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300010891432	0	35	-1.0	-51.80	284.54	6.29	-45.51
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010891433	0	38	-1.0	-62.92	314.66	1.89	-61.03
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891434	0	38	-1.0	-60.72	321.58	3.20	-57.52
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2C1=O	REAL300010891435	0	39	-1.0	-57.70	326.53	4.95	-52.75
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891436	0	40	-1.0	-54.84	323.78	7.19	-47.65
CC1=CC(F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891437	0	35	-1.0	-51.14	270.20	5.90	-45.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010891438	0	41	-1.0	-50.67	313.01	6.85	-43.82
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010891439	0	40	-1.0	-58.78	313.52	6.78	-52.00
CN1C(=O)OC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891440	0	38	-1.0	-61.48	314.58	5.64	-55.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010891441	0	37	-1.0	-55.63	308.67	7.19	-48.44
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891442	0	40	-1.0	-67.44	315.35	8.30	-59.14
CCOC(=O)C1CCCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300010891443	0	46	-1.0	-50.78	353.75	6.31	-44.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010891444	0	36	-1.0	-48.36	306.83	5.48	-42.88
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891445	0	43	-1.0	-64.39	355.64	3.74	-60.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010891446	0	32	-1.0	-46.00	269.53	5.69	-40.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010891447	0	34	-1.0	-58.95	293.04	7.32	-51.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010891448	0	44	-1.0	-53.27	346.21	4.97	-48.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010891449	0	42	-1.0	-60.17	327.52	9.24	-50.93
CC1CC(C)CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300010891450	0	43	-1.0	-42.18	305.93	5.18	-37.00
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891451	0	41	-1.0	-65.45	336.43	7.29	-58.16
CCOC(=O)N1CCC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891452	0	46	-1.0	-54.06	352.31	5.39	-48.67
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010891453	0	32	-1.0	-50.47	277.10	6.17	-44.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010891454	0	32	-1.0	-50.43	281.66	6.27	-44.16
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010891455	0	34	-1.0	-48.27	288.62	6.32	-41.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010891456	0	38	-1.0	-57.88	305.58	7.98	-49.90
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891457	0	39	-1.0	-65.07	316.74	4.46	-60.61
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891458	0	37	-1.0	-62.69	292.41	6.56	-56.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010891459	0	34	-1.0	-66.44	276.83	6.83	-59.61
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891460	0	39	-1.0	-57.17	325.97	6.88	-50.29
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891461	0	39	-1.0	-55.33	312.24	5.91	-49.42
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010891462	0	32	-1.0	-46.37	268.88	5.55	-40.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010891463	0	32	-1.0	-49.42	272.61	5.85	-43.57
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010891464	0	38	-1.0	-59.59	305.40	4.85	-54.74
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010891465	0	41	-1.0	-51.73	308.90	7.74	-43.99
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891466	0	47	-1.0	-57.44	340.41	8.21	-49.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010891467	0	32	-1.0	-50.28	291.09	6.47	-43.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010891468	0	32	-1.0	-52.39	271.88	5.61	-46.78
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010891469	0	32	-1.0	-50.54	279.79	6.13	-44.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010891470	0	35	-1.0	-56.50	299.89	6.70	-49.80
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010891471	0	35	-1.0	-57.21	285.05	6.71	-50.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010891472	0	35	-1.0	-52.62	312.80	7.11	-45.51
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010891473	0	32	-1.0	-50.06	277.58	6.21	-43.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010891474	0	35	-1.0	-51.12	302.07	6.63	-44.49
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891475	0	37	-1.0	-59.60	301.34	6.04	-53.56
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010891476	0	32	-1.0	-50.31	281.77	6.06	-44.25
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891477	0	37	-1.0	-56.70	302.11	6.09	-50.61
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300010891478	0	41	-1.0	-62.29	336.82	4.73	-57.56
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010891479	0	31	-1.0	-45.55	287.33	4.73	-40.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010891480	0	35	-1.0	-54.52	290.02	6.07	-48.45
COC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891481	0	36	-1.0	-55.81	292.49	4.93	-50.88
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010891482	0	41	-1.0	-51.01	332.00	7.72	-43.29
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891483	0	41	-1.0	-60.63	337.84	7.13	-53.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010891484	0	39	-1.0	-53.93	304.95	7.45	-46.48
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300010891485	0	42	-1.0	-52.83	342.49	7.41	-45.42
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C21	REAL300010891486	0	43	-1.0	-79.18	339.74	6.73	-72.45
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891487	0	33	-1.0	-46.15	282.11	5.83	-40.32
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891488	0	36	-1.0	-56.45	287.41	6.20	-50.25
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010891489	0	46	-1.0	-54.04	358.26	4.72	-49.32
CC1CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300010891490	0	40	-1.0	-56.34	333.16	6.81	-49.53
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010891491	0	37	-1.0	-47.29	307.36	6.86	-40.43
COC(=O)C1=COC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891492	0	35	-1.0	-58.70	300.32	4.43	-54.27
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891493	0	43	-1.0	-62.36	347.80	6.32	-56.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010891494	0	34	-1.0	-53.58	292.80	5.18	-48.40
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891495	0	42	-1.0	-57.75	327.47	5.76	-51.99
COC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])SC=C1	REAL300010891496	0	33	-1.0	-56.80	281.51	4.78	-52.02
CC(=O)NC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010891497	0	42	-1.0	-71.08	334.12	5.28	-65.80
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C21	REAL300010891498	0	44	-1.0	-54.78	333.79	6.05	-48.73
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010891499	0	34	-1.0	-53.16	291.54	4.86	-48.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010891500	0	38	-1.0	-51.30	310.52	4.55	-46.75
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891501	0	41	-1.0	-53.50	333.21	7.32	-46.18
CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C#N	REAL300010891502	0	36	-1.0	-50.84	285.73	5.91	-44.93
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300010891503	0	40	-1.0	-58.49	319.83	4.29	-54.20
CN1C=NC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891504	0	38	-1.0	-58.26	307.79	7.05	-51.21
CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1CC	REAL300010891505	0	44	-1.0	-55.53	337.42	8.21	-47.32
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891506	0	40	-1.0	-45.52	315.72	7.73	-37.79
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(C)O1	REAL300010891507	0	38	-1.0	-59.54	309.92	4.79	-54.75
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891508	0	33	-1.0	-50.25	275.58	3.46	-46.79
COC(=O)C1=NSC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891509	0	34	-1.0	-46.90	284.62	3.62	-43.28
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300010891510	0	38	-1.0	-51.47	307.92	7.02	-44.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010891511	0	40	-1.0	-74.19	320.47	4.14	-70.05
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1C	REAL300010891512	0	39	-1.0	-66.40	321.65	5.76	-60.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010891513	0	32	-1.0	-47.79	282.69	6.28	-41.51
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010891514	0	31	-1.0	-49.51	271.25	4.36	-45.15
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891515	0	43	-1.0	-59.01	343.37	7.52	-51.49
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010891516	0	35	-1.0	-47.78	309.26	7.00	-40.78
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300010891517	0	37	-1.0	-53.86	301.99	1.79	-52.07
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891518	0	35	-1.0	-51.35	280.52	6.35	-45.00
CCOC(=O)C1CCCN1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891519	0	43	-1.0	-64.96	336.95	6.44	-58.52
CNC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1C	REAL300010891520	0	40	-1.0	-55.48	324.77	3.30	-52.18
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300010891521	0	42	-1.0	-50.69	316.97	6.37	-44.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010891522	0	40	-1.0	-56.18	322.92	4.83	-51.35
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891523	0	41	-1.0	-52.32	341.45	7.09	-45.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010891524	0	43	-1.0	-53.65	335.09	5.82	-47.83
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891525	0	41	-1.0	-53.63	341.44	7.08	-46.55
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])O1	REAL300010891526	0	38	-1.0	-58.00	325.50	6.10	-51.90
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010891527	0	43	-1.0	-57.29	343.76	9.81	-47.48
COC(=O)COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891528	0	42	-1.0	-61.24	346.74	6.61	-54.63
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891529	0	45	-1.0	-56.12	367.70	6.76	-49.36
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891530	0	42	-1.0	-56.95	313.29	5.87	-51.08
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010891531	0	36	-1.0	-69.29	297.90	6.06	-63.23
CCOC(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891532	0	40	-1.0	-55.77	325.53	5.90	-49.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010891533	0	35	-1.0	-66.18	298.48	7.57	-58.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010891534	0	34	-1.0	-57.90	301.10	7.45	-50.45
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891535	0	37	-1.0	-47.05	282.40	6.96	-40.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010891536	0	34	-1.0	-42.77	293.66	6.40	-36.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010891537	0	29	-1.0	-51.89	271.06	5.05	-46.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010891538	0	36	-1.0	-48.42	288.42	5.59	-42.83
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010891539	0	40	-1.0	-52.30	295.85	5.86	-46.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010891540	0	34	-1.0	-53.31	298.38	5.07	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010891541	0	40	-1.0	-50.16	322.16	4.66	-45.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010891542	0	37	-1.0	-54.53	288.02	5.59	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010891543	0	31	-1.0	-45.33	279.63	4.36	-40.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010891544	0	34	-1.0	-43.11	290.71	6.15	-36.96
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010891545	0	34	-1.0	-48.20	303.58	6.61	-41.59
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891546	0	41	-1.0	-64.27	345.03	3.91	-60.36
CCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010891547	0	37	-1.0	-64.10	311.12	5.98	-58.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010891548	0	34	-1.0	-73.96	298.64	7.09	-66.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010891549	0	34	-1.0	-44.99	295.52	6.42	-38.57
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010891550	0	39	-1.0	-56.16	331.81	6.38	-49.78
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010891551	0	34	-1.0	-58.93	297.61	7.41	-51.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010891552	0	46	-1.0	-56.31	372.14	8.96	-47.35
CC1(C)C2CCC1(CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])C(=O)C2	REAL300010891553	0	47	-1.0	-66.47	342.40	7.97	-58.50
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891554	0	40	-1.0	-53.58	335.57	2.14	-51.44
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891555	0	40	-1.0	-70.79	322.87	6.98	-63.81
CCOC(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891556	0	45	-1.0	-44.99	340.84	4.10	-40.89
COC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010891557	0	41	-1.0	-55.61	329.05	5.70	-49.91
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010891558	0	42	-1.0	-50.72	346.49	7.17	-43.55
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891559	0	54	-1.0	-52.87	393.18	8.62	-44.25
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891560	0	40	-1.0	-54.94	334.20	2.28	-52.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010891561	0	35	-1.0	-50.49	293.04	6.49	-44.00
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891562	0	38	-1.0	-65.45	325.47	3.21	-62.24
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(F)C=C1F	REAL300010891563	0	35	-1.0	-46.77	289.20	6.19	-40.58
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891564	0	39	-1.0	-57.73	323.60	6.59	-51.14
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891565	0	44	-1.0	-54.61	350.23	7.24	-47.37
CC1=CN(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2F)N=C1	REAL300010891566	0	42	-1.0	-54.28	344.49	7.55	-46.73
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891567	0	39	-1.0	-51.91	337.10	5.57	-46.34
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891568	0	39	-1.0	-60.42	326.78	0.45	-59.97
CC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891569	0	35	-1.0	-52.79	289.01	6.19	-46.60
CC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891570	0	37	-1.0	-55.52	309.49	6.84	-48.68
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010891571	0	38	-1.0	-54.23	314.13	7.49	-46.74
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010891572	0	29	-1.0	-47.40	279.10	5.44	-41.96
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010891573	0	44	-1.0	-58.34	354.94	7.71	-50.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010891574	0	32	-1.0	-47.93	268.85	5.54	-42.39
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010891575	0	32	-1.0	-50.88	283.66	6.10	-44.78
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010891576	0	38	-1.0	-48.81	313.98	7.22	-41.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010891577	0	38	-1.0	-51.18	335.86	6.12	-45.06
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C12	REAL300010891578	0	40	-1.0	-55.37	325.88	5.39	-49.98
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891579	0	39	-1.0	-56.35	331.59	6.31	-50.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010891580	0	35	-1.0	-48.53	313.27	7.08	-41.45
CC1=NOC2=NC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C12	REAL300010891581	0	36	-1.0	-55.74	300.64	2.61	-53.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010891582	0	41	-1.0	-56.89	342.43	8.53	-48.36
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010891583	0	34	-1.0	-53.31	298.38	5.07	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010891584	0	34	-1.0	-55.38	292.89	6.25	-49.13
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891585	0	38	-1.0	-61.13	310.11	6.95	-54.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010891586	0	35	-1.0	-53.52	294.40	6.67	-46.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010891587	0	44	-1.0	-63.88	358.37	4.29	-59.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010891588	0	39	-1.0	-52.05	332.64	6.21	-45.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010891589	0	32	-1.0	-50.28	284.36	6.24	-44.04
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CN=C21	REAL300010891590	0	40	-1.0	-46.92	330.57	3.05	-43.87
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891591	0	41	-1.0	-54.91	342.10	7.30	-47.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010891592	0	40	-1.0	-63.84	321.72	6.12	-57.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010891593	0	35	-1.0	-52.24	315.95	7.61	-44.63
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010891594	0	38	-1.0	-61.61	326.35	8.62	-52.99
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010891595	0	35	-1.0	-50.07	305.86	7.09	-42.98
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010891596	0	38	-1.0	-52.72	300.76	7.66	-45.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010891597	0	38	-1.0	-54.66	309.68	7.88	-46.78
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010891598	0	46	-1.0	-57.68	374.29	7.92	-49.76
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891599	0	38	-1.0	-58.68	324.28	3.03	-55.65
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891600	0	45	-1.0	-60.21	367.79	7.23	-52.98
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010891601	0	43	-1.0	-58.92	362.92	2.77	-56.15
N#CC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891602	0	33	-1.0	-51.38	289.80	6.29	-45.09
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300010891603	0	43	-1.0	-56.30	334.92	6.33	-49.97
CN1C(Cl)=NC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891604	0	32	-1.0	-48.47	277.03	4.25	-44.22
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891605	0	37	-1.0	-56.98	306.37	6.63	-50.35
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])N=C1Cl	REAL300010891606	0	32	-1.0	-64.32	281.88	5.14	-59.18
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891607	0	35	-1.0	-44.82	291.48	5.81	-39.01
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891608	0	38	-1.0	-60.67	318.92	7.40	-53.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891609	0	44	-1.0	-56.35	326.69	5.42	-50.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010891610	0	37	-1.0	-55.48	296.74	5.53	-49.95
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891611	0	38	-1.0	-66.44	321.59	3.22	-63.22
CCOC(=O)C1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891612	0	46	-1.0	-51.06	352.16	6.22	-44.84
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891613	0	40	-1.0	-61.86	317.18	7.24	-54.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010891614	0	35	-1.0	-79.04	290.74	4.83	-74.21
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891615	0	42	-1.0	-65.05	336.59	5.34	-59.71
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010891616	0	35	-1.0	-52.28	308.74	6.96	-45.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010891617	0	33	-1.0	-65.36	274.62	6.03	-59.33
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891618	0	41	-1.0	-59.04	331.88	7.55	-51.49
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010891619	0	32	-1.0	-51.92	269.47	5.69	-46.23
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891620	0	51	-1.0	-72.71	390.44	9.05	-63.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010891621	0	35	-1.0	-51.79	307.92	7.12	-44.67
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891622	0	39	-1.0	-53.26	332.92	5.01	-48.25
CC1CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010891623	0	40	-1.0	-55.80	317.75	6.30	-49.50
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891624	0	36	-1.0	-51.30	308.57	5.47	-45.83
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891625	0	44	-1.0	-55.77	345.17	4.33	-51.44
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CS1	REAL300010891626	0	35	-1.0	-62.14	307.58	5.33	-56.81
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891627	0	41	-1.0	-61.44	341.24	7.92	-53.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010891628	0	43	-1.0	-51.02	366.48	9.03	-41.99
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891629	0	41	-1.0	-51.62	312.66	6.27	-45.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010891630	0	34	-1.0	-44.11	310.41	6.98	-37.13
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891631	0	36	-1.0	-53.55	312.87	5.98	-47.57
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891632	0	44	-1.0	-52.86	336.05	6.31	-46.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010891633	0	34	-1.0	-62.59	288.02	6.38	-56.21
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300010891634	0	46	-1.0	-54.31	371.28	9.18	-45.13
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891635	0	39	-1.0	-58.54	305.58	6.08	-52.46
N#CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891636	0	36	-1.0	-51.31	307.50	6.81	-44.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010891637	0	35	-1.0	-48.19	292.64	3.19	-45.00
CN1C(=O)CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891638	0	40	-1.0	-55.00	324.16	6.14	-48.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010891639	0	32	-1.0	-50.32	288.16	6.75	-43.57
COC(=O)C1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891640	0	43	-1.0	-51.05	330.28	5.29	-45.76
COC1=C(C)C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891641	0	42	-1.0	-54.39	334.02	6.56	-47.83
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300010891642	0	41	-1.0	-58.79	355.73	6.29	-52.50
COCC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891643	0	39	-1.0	-58.45	315.90	5.41	-53.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010891644	0	32	-1.0	-57.14	288.71	5.25	-51.89
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010891645	0	41	-1.0	-59.42	341.63	7.57	-51.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010891646	0	38	-1.0	-64.26	329.74	6.95	-57.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010891647	0	38	-1.0	-50.95	346.18	6.57	-44.38
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010891648	0	35	-1.0	-50.26	301.81	3.89	-46.37
CC1=NC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2O1	REAL300010891649	0	37	-1.0	-57.67	304.56	3.35	-54.32
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891650	0	44	-1.0	-61.18	325.09	9.31	-51.87
CC1=CC(Br)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891652	0	32	-1.0	-50.68	291.83	6.28	-44.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010891653	0	37	-1.0	-46.72	320.07	6.29	-40.43
CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891654	0	41	-1.0	-55.63	325.08	7.64	-47.99
CC1=C(Br)SC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300010891655	0	31	-1.0	-52.16	286.90	3.67	-48.49
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891656	0	37	-1.0	-47.27	306.23	6.90	-40.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010891657	0	36	-1.0	-54.88	313.78	4.56	-50.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010891658	0	37	-1.0	-54.44	307.43	7.58	-46.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010891659	0	40	-1.0	-55.30	327.51	7.62	-47.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010891660	0	40	-1.0	-51.04	336.42	7.89	-43.15
CC1=NN2C=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010891661	0	37	-1.0	-49.90	321.78	5.47	-44.43
CCCN1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891662	0	38	-1.0	-55.37	311.54	6.20	-49.17
CCCCCCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300010891663	0	50	-1.0	-44.45	392.90	5.77	-38.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010891664	0	32	-1.0	-45.57	288.62	6.05	-39.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010891665	0	35	-1.0	-58.00	294.85	6.41	-51.59
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCCC[C@@H]4C(=O)[O-])C=CC1=C23	REAL300010891666	0	43	-1.0	-54.64	336.86	7.01	-47.63
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891667	0	36	-1.0	-54.10	312.85	6.84	-47.26
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010891668	0	37	-1.0	-42.55	313.50	7.00	-35.55
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891669	0	38	-1.0	-60.19	308.60	6.98	-53.21
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010891670	0	46	-1.0	-63.88	367.97	6.84	-57.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010891671	0	35	-1.0	-76.46	292.40	4.94	-71.52
CC1=CC=C(Br)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891672	0	35	-1.0	-52.18	286.71	6.38	-45.80
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891673	0	35	-1.0	-52.41	284.43	6.28	-46.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010891674	0	35	-1.0	-48.10	298.38	6.53	-41.57
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891675	0	43	-1.0	-55.01	359.92	3.20	-51.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010891676	0	31	-1.0	-55.22	279.60	5.20	-50.02
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010891677	0	43	-1.0	-52.16	338.45	6.02	-46.14
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010891678	0	35	-1.0	-48.21	320.10	7.50	-40.71
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891679	0	40	-1.0	-65.75	335.97	3.67	-62.08
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010891680	0	31	-1.0	-46.79	275.61	4.17	-42.62
CCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])N=C1C	REAL300010891681	0	38	-1.0	-57.67	309.83	5.24	-52.43
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891682	0	37	-1.0	-52.88	311.64	4.45	-48.43
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(Cl)S1	REAL300010891683	0	35	-1.0	-59.30	320.31	2.29	-57.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010891684	0	40	-1.0	-56.27	313.26	6.32	-49.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891685	0	42	-1.0	-52.85	329.37	6.47	-46.38
CC1=C(C)SC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891686	0	35	-1.0	-54.18	293.42	6.13	-48.05
COCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891687	0	39	-1.0	-55.57	315.47	5.39	-50.18
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891688	0	41	-1.0	-57.24	347.30	5.26	-51.98
O=C([O-])[C@H]1CCCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010891689	0	43	-1.0	-69.30	323.57	11.43	-57.87
CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1Cl	REAL300010891690	0	35	-1.0	-52.26	281.93	6.23	-46.03
CC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300010891691	0	37	-1.0	-51.04	318.46	6.73	-44.31
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010891692	0	43	-1.0	-55.87	366.15	4.65	-51.22
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300010891693	0	45	-1.0	-58.08	359.24	8.31	-49.77
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891694	0	36	-1.0	-58.61	314.64	7.04	-51.57
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010891695	0	41	-1.0	-59.26	323.80	9.17	-50.09
CC1(C)CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCO1	REAL300010891696	0	41	-1.0	-46.16	300.91	3.48	-42.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010891697	0	35	-1.0	-57.36	286.94	4.35	-53.01
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010891698	0	40	-1.0	-59.42	302.38	7.25	-52.17
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010891699	0	38	-1.0	-66.54	307.99	6.92	-59.62
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010891700	0	45	-1.0	-68.42	350.54	6.81	-61.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010891701	0	44	-1.0	-52.61	336.62	2.70	-49.91
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010891702	0	38	-1.0	-48.95	329.41	3.77	-45.18
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891703	0	41	-1.0	-56.82	342.60	7.35	-49.47
COCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891704	0	39	-1.0	-54.39	305.15	5.49	-48.90
CCC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010891705	0	41	-1.0	-51.77	338.90	5.76	-46.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010891706	0	49	-1.0	-60.93	377.28	7.53	-53.40
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891707	0	45	-1.0	-54.77	368.09	6.97	-47.80
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300010891708	0	33	-1.0	-45.34	283.88	6.01	-39.33
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891709	0	36	-1.0	-54.02	310.93	6.06	-47.96
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010891710	0	39	-1.0	-58.07	310.00	5.48	-52.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010891711	0	37	-1.0	-52.07	307.18	5.64	-46.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010891712	0	52	-1.0	-67.71	377.61	7.07	-60.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010891713	0	46	-1.0	-56.86	356.46	6.00	-50.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010891714	0	43	-1.0	-58.46	361.78	6.54	-51.92
CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1F	REAL300010891715	0	35	-1.0	-52.94	282.86	6.12	-46.82
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891716	0	38	-1.0	-49.99	309.84	3.30	-46.69
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010891717	0	34	-1.0	-45.58	295.53	4.92	-40.66
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])SC=N1	REAL300010891718	0	34	-1.0	-45.33	291.31	3.58	-41.75
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891719	0	38	-1.0	-56.94	320.74	6.42	-50.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300010893001	0	46	-1.0	-54.50	370.49	9.20	-45.30
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893002	0	39	-1.0	-60.35	312.77	6.25	-54.10
N#CC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893003	0	36	-1.0	-51.40	307.55	6.83	-44.57
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010893004	0	35	-1.0	-47.84	292.41	3.17	-44.67
CN1C(=O)CC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893005	0	40	-1.0	-54.73	323.88	6.13	-48.60
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010893006	0	32	-1.0	-51.19	289.02	6.83	-44.36
COC(=O)C1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893007	0	43	-1.0	-55.19	332.70	5.42	-49.77
COC1=C(C)C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893008	0	42	-1.0	-54.71	332.23	6.49	-48.22
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300010893009	0	41	-1.0	-58.73	355.83	6.28	-52.45
COCC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893010	0	39	-1.0	-57.48	317.45	5.50	-51.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010893011	0	32	-1.0	-50.96	292.61	5.99	-44.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010893012	0	41	-1.0	-51.53	341.62	7.56	-43.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010893013	0	38	-1.0	-57.84	326.48	6.75	-51.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010893014	0	38	-1.0	-54.75	343.22	7.27	-47.48
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010893015	0	35	-1.0	-50.30	301.81	3.88	-46.42
CC1=NC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2O1	REAL300010893016	0	37	-1.0	-57.82	304.30	3.34	-54.48
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893017	0	44	-1.0	-61.57	323.48	9.09	-52.48
CC1=CC(Br)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893019	0	32	-1.0	-49.51	288.35	6.20	-43.31
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010893020	0	37	-1.0	-48.34	326.69	6.59	-41.75
CC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893021	0	41	-1.0	-55.62	325.09	7.63	-47.99
CC1=C(Br)SC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=N1	REAL300010893022	0	31	-1.0	-52.16	286.90	3.67	-48.49
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893023	0	37	-1.0	-58.03	305.24	6.76	-51.27
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010893024	0	36	-1.0	-51.10	313.60	4.56	-46.54
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010893025	0	37	-1.0	-55.67	308.16	7.66	-48.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010893026	0	40	-1.0	-55.16	327.52	7.56	-47.60
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010893027	0	40	-1.0	-51.10	336.34	7.86	-43.24
CC1=NN2C=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010893028	0	37	-1.0	-51.29	324.82	5.69	-45.60
CCCN1C=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893029	0	38	-1.0	-60.06	309.47	6.90	-53.16
CCCCCCN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300010893030	0	50	-1.0	-44.41	399.21	6.45	-37.96
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010893031	0	32	-1.0	-49.70	288.35	6.34	-43.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010893032	0	35	-1.0	-57.95	294.81	6.40	-51.55
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCCC[C@H]4C(=O)[O-])C=CC1=C23	REAL300010893033	0	43	-1.0	-56.22	344.47	7.44	-48.78
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893034	0	36	-1.0	-54.66	310.25	6.74	-47.92
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010893035	0	37	-1.0	-57.68	313.98	7.02	-50.66
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893036	0	38	-1.0	-48.64	308.90	6.64	-42.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010893037	0	46	-1.0	-63.60	364.67	6.78	-56.82
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010893038	0	35	-1.0	-75.64	289.51	5.05	-70.59
CC1=CC=C(Br)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893039	0	35	-1.0	-53.76	294.89	6.69	-47.07
CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893040	0	35	-1.0	-54.20	293.14	6.64	-47.56
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010893041	0	35	-1.0	-55.68	295.87	6.42	-49.26
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893042	0	43	-1.0	-53.29	359.97	3.22	-50.07
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010893043	0	31	-1.0	-58.84	283.11	5.24	-53.60
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010893044	0	43	-1.0	-53.43	345.55	6.34	-47.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010893045	0	35	-1.0	-48.65	313.23	7.28	-41.37
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893046	0	40	-1.0	-67.63	345.65	4.04	-63.59
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010893047	0	31	-1.0	-48.36	283.96	4.62	-43.74
CCN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])N=C1C	REAL300010893048	0	38	-1.0	-66.55	307.18	6.11	-60.44
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893049	0	37	-1.0	-53.01	311.69	4.48	-48.53
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(Cl)S1	REAL300010893050	0	35	-1.0	-61.43	330.34	2.77	-58.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010893051	0	40	-1.0	-56.19	314.63	6.22	-49.97
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893052	0	42	-1.0	-55.31	330.69	6.51	-48.80
CC1=C(C)SC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893053	0	35	-1.0	-52.74	293.66	6.10	-46.64
COCC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893054	0	39	-1.0	-55.98	315.59	5.42	-50.56
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893055	0	41	-1.0	-66.86	346.63	5.00	-61.86
O=C([O-])[C@@H]1CCCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010893056	0	43	-1.0	-68.91	326.67	11.51	-57.40
CC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1Cl	REAL300010893057	0	35	-1.0	-54.04	290.08	6.62	-47.42
CC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010893058	0	37	-1.0	-50.93	319.98	6.81	-44.12
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010893059	0	43	-1.0	-54.94	364.76	4.60	-50.34
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300010893060	0	45	-1.0	-55.38	359.59	8.36	-47.02
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893061	0	36	-1.0	-47.63	321.74	7.15	-40.48
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010893062	0	41	-1.0	-63.51	322.68	9.23	-54.28
CC1(C)CN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCO1	REAL300010893063	0	41	-1.0	-50.89	306.08	3.78	-47.11
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010893064	0	35	-1.0	-50.77	286.97	4.35	-46.42
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010893065	0	40	-1.0	-62.00	310.10	7.41	-54.59
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010893066	0	38	-1.0	-60.05	309.45	6.78	-53.27
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010893067	0	45	-1.0	-72.37	352.42	6.72	-65.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010893068	0	44	-1.0	-52.67	335.39	2.53	-50.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010893069	0	38	-1.0	-50.67	329.57	3.74	-46.93
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893070	0	41	-1.0	-58.20	345.46	7.44	-50.76
COCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893071	0	39	-1.0	-53.84	304.24	5.38	-48.46
CCC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010893072	0	41	-1.0	-58.99	328.75	5.44	-53.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010893073	0	49	-1.0	-59.15	371.95	7.24	-51.91
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893074	0	45	-1.0	-57.07	372.19	7.46	-49.61
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300010893075	0	33	-1.0	-46.55	292.33	6.36	-40.19
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893076	0	36	-1.0	-55.50	318.26	6.24	-49.26
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010893077	0	39	-1.0	-56.78	306.20	5.65	-51.13
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010893078	0	37	-1.0	-51.98	307.18	5.65	-46.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010893079	0	52	-1.0	-67.84	383.15	7.56	-60.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010893080	0	46	-1.0	-57.50	357.63	6.01	-51.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010893081	0	43	-1.0	-58.22	361.62	6.42	-51.80
CC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1F	REAL300010893082	0	35	-1.0	-54.94	289.42	6.47	-48.47
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893083	0	38	-1.0	-53.48	310.00	3.28	-50.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010893084	0	34	-1.0	-52.29	296.46	4.97	-47.32
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])SC=N1	REAL300010893085	0	34	-1.0	-60.72	296.15	3.68	-57.04
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893086	0	38	-1.0	-51.57	322.13	6.41	-45.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300010894001	0	35	-1.0	-54.77	302.48	5.75	-49.02
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894002	0	43	-1.0	-62.77	364.10	4.62	-58.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300010894003	0	47	-1.0	-48.97	378.54	4.45	-44.52
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010894004	0	35	-1.0	-49.26	302.51	5.92	-43.34
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894005	0	38	-1.0	-58.32	337.61	2.65	-55.67
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894006	0	38	-1.0	-54.46	329.71	7.04	-47.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300010894007	0	37	-1.0	-50.03	314.32	5.35	-44.68
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894008	0	36	-1.0	-52.77	311.05	5.45	-47.32
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894009	0	36	-1.0	-47.16	297.86	5.64	-41.52
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894010	0	33	-1.0	-48.20	296.53	5.32	-42.88
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894011	0	36	-1.0	-46.75	321.92	5.99	-40.76
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300010894012	0	42	-1.0	-54.93	355.43	5.68	-49.25
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300010894013	0	41	-1.0	-48.24	344.18	6.16	-42.08
COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894014	0	39	-1.0	-53.38	328.15	3.83	-49.55
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894015	0	42	-1.0	-57.24	346.72	0.67	-56.57
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894016	0	41	-1.0	-49.04	321.19	3.05	-45.99
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C1	REAL300010894017	0	41	-1.0	-53.89	342.08	5.02	-48.87
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010894018	0	41	-1.0	-55.47	340.67	6.20	-49.27
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300010894019	0	41	-1.0	-49.35	330.87	4.89	-44.46
CC(C)N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894020	0	38	-1.0	-53.10	318.11	4.09	-49.01
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894021	0	41	-1.0	-57.98	337.95	5.95	-52.03
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894022	0	38	-1.0	-55.63	318.98	5.35	-50.28
CC(C)C1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1	REAL300010894023	0	38	-1.0	-51.93	317.21	3.44	-48.49
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894024	0	44	-1.0	-51.50	329.18	7.89	-43.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300010894025	0	45	-1.0	-55.19	371.30	7.87	-47.32
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894026	0	40	-1.0	-51.32	339.84	4.36	-46.96
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1Cl	REAL300010894027	0	39	-1.0	-51.94	351.45	4.74	-47.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300010894028	0	39	-1.0	-54.22	337.30	6.11	-48.11
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1F	REAL300010894029	0	38	-1.0	-59.10	336.40	5.61	-53.49
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010894030	0	36	-1.0	-46.70	320.89	4.93	-41.77
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010894031	0	42	-1.0	-53.38	362.61	6.96	-46.42
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(Br)O1	REAL300010894032	0	35	-1.0	-44.36	323.06	4.01	-40.35
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C(Br)S1	REAL300010894033	0	32	-1.0	-43.15	294.62	5.09	-38.06
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1	REAL300010894034	0	36	-1.0	-58.11	316.78	3.32	-54.79
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010894035	0	33	-1.0	-50.02	309.56	5.78	-44.24
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300010894036	0	40	-1.0	-50.00	317.60	7.29	-42.71
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894037	0	38	-1.0	-52.32	331.65	5.77	-46.55
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894038	0	41	-1.0	-54.29	337.58	2.76	-51.53
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300010894039	0	36	-1.0	-48.11	315.40	6.58	-41.53
N#CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010894040	0	33	-1.0	-45.68	309.60	5.77	-39.91
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894041	0	48	-1.0	-53.88	386.09	6.71	-47.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C1	REAL300010894042	0	43	-1.0	-52.53	361.44	4.94	-47.59
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300010894043	0	44	-1.0	-52.92	382.35	2.81	-50.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894044	0	40	-1.0	-53.56	350.02	1.13	-52.43
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894045	0	42	-1.0	-56.78	368.72	3.92	-52.86
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)O1	REAL300010894046	0	35	-1.0	-47.81	312.95	3.80	-44.01
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894047	0	38	-1.0	-50.26	331.26	4.43	-45.83
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894048	0	34	-1.0	-48.54	295.14	3.42	-45.12
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010894049	0	34	-1.0	-62.90	293.09	6.96	-55.94
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300010894050	0	35	-1.0	-50.83	330.63	6.74	-44.09
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C)N1	REAL300010894051	0	45	-1.0	-55.39	366.23	5.56	-49.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010894052	0	32	-1.0	-52.19	289.65	5.79	-46.40
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=CS1	REAL300010894053	0	38	-1.0	-50.68	352.79	5.52	-45.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300010894054	0	52	-1.0	-48.15	407.98	8.56	-39.59
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)C1	REAL300010894055	0	42	-1.0	-59.19	370.61	4.53	-54.66
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(I)=C2)C1	REAL300010894056	0	32	-1.0	-49.77	301.13	6.06	-43.71
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894057	0	41	-1.0	-48.14	331.86	5.92	-42.22
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010894058	0	34	-1.0	-51.84	303.23	7.06	-44.78
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300010894059	0	40	-1.0	-51.78	332.92	4.08	-47.70
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300010894060	0	43	-1.0	-47.74	335.60	4.46	-43.28
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010894061	0	34	-1.0	-47.43	316.85	7.23	-40.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300010894062	0	35	-1.0	-57.59	312.89	5.87	-51.72
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894063	0	33	-1.0	-47.14	289.13	5.03	-42.11
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894064	0	33	-1.0	-47.03	299.46	5.48	-41.55
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300010894065	0	35	-1.0	-46.58	312.84	6.16	-40.42
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894066	0	35	-1.0	-46.93	281.93	5.31	-41.62
COC(=O)CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894067	0	38	-1.0	-61.41	332.71	3.78	-57.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300010894068	0	38	-1.0	-49.78	322.50	7.70	-42.08
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300010894069	0	37	-1.0	-46.08	322.82	6.87	-39.21
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894070	0	32	-1.0	-46.30	306.60	5.32	-40.98
N#CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894071	0	36	-1.0	-54.73	315.65	6.13	-48.60
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300010894072	0	38	-1.0	-48.54	338.55	5.72	-42.82
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300010894073	0	50	-1.0	-48.72	360.91	6.63	-42.09
CC1=NC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300010894074	0	40	-1.0	-55.17	322.31	6.44	-48.73
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300010894075	0	43	-1.0	-52.58	350.48	3.54	-49.04
CC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300010894076	0	35	-1.0	-49.48	300.52	5.89	-43.59
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894077	0	38	-1.0	-55.87	326.01	5.88	-49.99
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300010894078	0	40	-1.0	-49.35	331.77	2.77	-46.58
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010894079	0	38	-1.0	-49.23	328.89	5.70	-43.53
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894080	0	38	-1.0	-50.79	315.28	6.26	-44.53
COCCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894081	0	39	-1.0	-52.91	333.11	2.62	-50.29
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010894082	0	45	-1.0	-52.18	358.29	7.55	-44.63
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894083	0	42	-1.0	-48.39	331.73	6.19	-42.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300010894084	0	37	-1.0	-65.60	321.68	5.13	-60.47
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300010894085	0	39	-1.0	-53.94	333.92	6.12	-47.82
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300010894086	0	34	-1.0	-54.34	317.77	6.09	-48.25
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894087	0	33	-1.0	-63.27	283.98	4.83	-58.44
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894088	0	46	-1.0	-50.05	380.21	5.42	-44.63
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894089	0	48	-1.0	-48.14	389.22	7.55	-40.59
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010894090	0	34	-1.0	-61.21	294.27	7.08	-54.13
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010894091	0	38	-1.0	-51.99	332.68	5.65	-46.34
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300010894092	0	38	-1.0	-46.95	347.21	6.30	-40.65
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894093	0	42	-1.0	-50.31	350.43	5.48	-44.83
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894094	0	35	-1.0	-47.98	321.42	4.64	-43.34
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894095	0	44	-1.0	-57.62	352.25	6.55	-51.07
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010894096	0	41	-1.0	-47.96	344.17	6.15	-41.81
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894097	0	38	-1.0	-51.88	328.92	5.50	-46.38
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300010894098	0	42	-1.0	-50.79	321.17	7.18	-43.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300010894099	0	38	-1.0	-49.58	321.87	6.79	-42.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010894100	0	31	-1.0	-46.65	289.67	3.76	-42.89
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300010894101	0	36	-1.0	-48.67	329.79	6.41	-42.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300010894102	0	32	-1.0	-48.67	300.35	5.63	-43.04
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300010894103	0	39	-1.0	-58.46	337.97	2.84	-55.62
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894104	0	35	-1.0	-46.95	294.48	5.77	-41.18
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010894105	0	36	-1.0	-47.39	323.28	4.93	-42.46
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010894106	0	43	-1.0	-50.24	350.36	6.23	-44.01
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894107	0	40	-1.0	-53.81	352.30	1.73	-52.08
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300010894108	0	49	-1.0	-57.40	404.29	4.12	-53.28
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894109	0	36	-1.0	-50.84	311.80	4.61	-46.23
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894110	0	41	-1.0	-53.85	355.54	3.38	-50.47
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300010894111	0	34	-1.0	-48.41	321.67	4.91	-43.50
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894112	0	37	-1.0	-58.36	322.66	5.73	-52.63
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894113	0	33	-1.0	-46.62	315.49	5.97	-40.65
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300010894114	0	39	-1.0	-51.46	345.11	5.86	-45.60
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300010894115	0	37	-1.0	-47.48	324.02	0.43	-47.05
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2S1	REAL300010894116	0	46	-1.0	-50.19	386.37	6.91	-43.28
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894117	0	41	-1.0	-49.66	339.36	5.46	-44.20
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894118	0	37	-1.0	-57.01	331.76	5.25	-51.76
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300010894119	0	37	-1.0	-50.93	309.33	4.30	-46.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300010894120	0	40	-1.0	-59.04	337.06	6.24	-52.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300010894121	0	38	-1.0	-60.92	314.49	1.40	-59.52
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894122	0	42	-1.0	-54.06	352.74	5.89	-48.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300010894123	0	37	-1.0	-50.88	321.67	5.13	-45.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010894124	0	42	-1.0	-48.29	328.48	5.49	-42.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894125	0	40	-1.0	-52.16	349.96	1.13	-51.03
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894126	0	41	-1.0	-56.61	339.24	6.45	-50.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300010894127	0	36	-1.0	-52.88	307.75	5.09	-47.79
CSC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894128	0	36	-1.0	-48.30	313.60	5.98	-42.32
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894129	0	44	-1.0	-48.03	371.53	7.35	-40.68
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300010894130	0	38	-1.0	-54.27	336.17	6.72	-47.55
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894131	0	43	-1.0	-49.32	343.28	6.72	-42.60
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300010894132	0	31	-1.0	-44.72	288.93	3.70	-41.02
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300010894134	0	37	-1.0	-51.29	303.21	5.39	-45.90
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894135	0	35	-1.0	-49.84	298.06	5.91	-43.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C1	REAL300010894136	0	40	-1.0	-51.83	333.17	4.14	-47.69
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894137	0	48	-1.0	-51.41	388.54	5.88	-45.53
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OCC	REAL300010894138	0	46	-1.0	-49.30	375.81	6.01	-43.29
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010894139	0	38	-1.0	-51.53	319.52	3.80	-47.73
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894140	0	38	-1.0	-49.88	308.06	3.97	-45.91
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894141	0	37	-1.0	-54.43	327.55	-0.08	-54.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300010894142	0	43	-1.0	-53.09	350.71	6.08	-47.01
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894143	0	46	-1.0	-54.99	364.95	6.53	-48.46
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300010894144	0	40	-1.0	-54.02	322.59	6.46	-47.56
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894145	0	38	-1.0	-48.58	328.17	5.63	-42.95
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894146	0	43	-1.0	-60.80	352.26	6.03	-54.77
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894147	0	39	-1.0	-50.45	329.84	3.24	-47.21
NC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894148	0	36	-1.0	-50.39	307.91	1.75	-48.64
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2CC1C	REAL300010894149	0	46	-1.0	-60.15	367.91	6.58	-53.57
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=CS1	REAL300010894150	0	35	-1.0	-57.09	314.01	5.24	-51.85
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894151	0	35	-1.0	-48.85	321.25	4.72	-44.13
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010894152	0	36	-1.0	-51.74	329.99	6.16	-45.58
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894153	0	38	-1.0	-58.60	327.51	3.46	-55.14
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C1	REAL300010894154	0	38	-1.0	-52.13	329.90	1.97	-50.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300010894155	0	38	-1.0	-52.75	324.08	2.20	-50.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)C1	REAL300010894156	0	38	-1.0	-48.08	327.59	2.35	-45.73
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=C2N=C1	REAL300010894157	0	40	-1.0	-57.76	328.78	6.69	-51.07
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300010894158	0	38	-1.0	-54.03	315.83	5.84	-48.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894159	0	36	-1.0	-49.94	314.58	5.31	-44.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300010894160	0	36	-1.0	-49.42	314.45	5.29	-44.13
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894161	0	37	-1.0	-52.60	327.61	-0.09	-52.69
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894162	0	38	-1.0	-57.97	328.18	5.61	-52.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300010894163	0	44	-1.0	-58.78	382.39	2.81	-55.97
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010894164	0	37	-1.0	-53.70	324.89	6.39	-47.31
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(F)C=C2)C1	REAL300010894165	0	35	-1.0	-51.67	303.09	5.78	-45.89
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300010894166	0	35	-1.0	-49.40	300.38	5.86	-43.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)C1	REAL300010894167	0	38	-1.0	-58.87	328.88	1.35	-57.52
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894168	0	38	-1.0	-56.98	334.10	2.48	-54.50
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2C1=O	REAL300010894169	0	39	-1.0	-48.82	338.56	4.24	-44.58
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894170	0	40	-1.0	-52.36	337.72	6.53	-45.83
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894171	0	35	-1.0	-45.60	283.57	5.34	-40.26
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CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010894173	0	40	-1.0	-51.65	323.32	6.22	-45.43
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894174	0	38	-1.0	-57.14	327.49	4.93	-52.21
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CCOC(=O)C1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300010894177	0	46	-1.0	-48.61	367.88	5.67	-42.94
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CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894179	0	43	-1.0	-51.44	368.94	2.96	-48.48
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C=C2Cl)C1	REAL300010894180	0	32	-1.0	-46.27	285.36	5.26	-41.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010894181	0	34	-1.0	-54.04	303.27	7.04	-47.00
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300010894182	0	44	-1.0	-52.35	359.31	4.31	-48.04
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300010894183	0	42	-1.0	-51.89	338.85	8.69	-43.20
CC1CC(C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300010894184	0	43	-1.0	-49.01	328.52	5.48	-43.53
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894185	0	41	-1.0	-57.85	350.00	6.53	-51.32
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894186	0	46	-1.0	-53.80	366.38	4.96	-48.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010894187	0	32	-1.0	-47.02	290.14	5.47	-41.55
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010894189	0	34	-1.0	-47.74	301.60	5.63	-42.11
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300010894190	0	38	-1.0	-50.83	319.33	7.25	-43.58
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894191	0	39	-1.0	-52.80	329.77	3.83	-48.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894192	0	37	-1.0	-54.81	304.81	5.93	-48.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010894193	0	34	-1.0	-57.62	286.38	6.56	-51.06
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894194	0	39	-1.0	-45.45	331.53	6.16	-39.29
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894195	0	39	-1.0	-48.54	324.75	5.18	-43.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C=C2F)C1	REAL300010894196	0	32	-1.0	-46.81	282.30	4.99	-41.82
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(F)=C2)C1	REAL300010894197	0	32	-1.0	-47.09	286.22	5.13	-41.96
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300010894198	0	38	-1.0	-52.82	317.87	4.12	-48.70
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010894199	0	41	-1.0	-48.30	314.81	6.94	-41.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894200	0	47	-1.0	-47.17	353.07	7.55	-39.62
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300010894201	0	32	-1.0	-48.29	305.26	5.94	-42.35
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(F)=C2)C1	REAL300010894202	0	32	-1.0	-49.63	286.05	5.08	-44.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300010894203	0	32	-1.0	-46.59	293.64	5.65	-40.94
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300010894204	0	35	-1.0	-46.18	312.44	5.99	-40.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010894205	0	35	-1.0	-54.06	301.84	6.46	-47.60
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300010894206	0	35	-1.0	-44.41	325.27	6.39	-38.02
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300010894207	0	32	-1.0	-50.19	290.08	5.47	-44.72
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300010894208	0	35	-1.0	-48.61	318.69	6.25	-42.36
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894209	0	37	-1.0	-48.98	314.65	5.38	-43.60
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300010894210	0	32	-1.0	-48.70	295.94	5.53	-43.17
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894211	0	37	-1.0	-61.60	316.15	5.45	-56.15
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)=CO1	REAL300010894212	0	41	-1.0	-51.48	349.80	4.03	-47.45
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300010894213	0	31	-1.0	-45.91	300.46	4.05	-41.86
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300010894214	0	35	-1.0	-54.64	303.13	5.36	-49.28
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894215	0	36	-1.0	-51.06	309.46	4.55	-46.51
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010894216	0	41	-1.0	-55.36	347.92	7.49	-47.87
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894217	0	41	-1.0	-53.88	350.36	6.40	-47.48
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300010894218	0	39	-1.0	-51.58	319.09	6.89	-44.69
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)C=C1	REAL300010894219	0	42	-1.0	-53.60	355.32	6.79	-46.81
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C21	REAL300010894220	0	43	-1.0	-57.76	352.22	5.99	-51.77
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894221	0	33	-1.0	-61.45	293.42	5.20	-56.25
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894222	0	36	-1.0	-46.53	297.91	5.66	-40.87
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300010894223	0	46	-1.0	-57.64	376.02	4.57	-53.07
CC1CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300010894224	0	40	-1.0	-51.40	347.16	6.08	-45.32
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010894225	0	37	-1.0	-47.26	317.56	6.14	-41.12
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894226	0	35	-1.0	-53.82	313.24	3.74	-50.08
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894227	0	43	-1.0	-53.91	361.09	5.75	-48.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300010894228	0	34	-1.0	-50.26	304.93	4.47	-45.79
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894229	0	42	-1.0	-60.11	341.03	5.19	-54.92
COC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)SC=C1	REAL300010894230	0	33	-1.0	-55.22	295.57	3.34	-51.88
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010894231	0	42	-1.0	-55.72	347.28	4.71	-51.01
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C21	REAL300010894232	0	44	-1.0	-52.39	347.83	5.52	-46.87
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010894233	0	34	-1.0	-49.47	304.02	4.20	-45.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300010894234	0	38	-1.0	-52.48	324.76	4.03	-48.45
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894235	0	41	-1.0	-50.12	346.34	6.61	-43.51
CC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C#N	REAL300010894236	0	36	-1.0	-48.60	299.99	5.37	-43.23
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300010894237	0	40	-1.0	-52.67	332.38	3.60	-49.07
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894238	0	38	-1.0	-59.74	321.65	6.33	-53.41
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1CC	REAL300010894239	0	44	-1.0	-49.84	350.43	7.54	-42.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894240	0	40	-1.0	-45.99	322.83	6.90	-39.09
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C)O1	REAL300010894241	0	38	-1.0	-45.04	321.29	4.17	-40.87
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894242	0	33	-1.0	-47.40	289.41	2.89	-44.51
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894243	0	34	-1.0	-53.67	303.68	3.54	-50.13
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300010894244	0	38	-1.0	-48.27	320.43	6.34	-41.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300010894245	0	40	-1.0	-53.66	332.98	3.42	-50.24
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1C	REAL300010894246	0	39	-1.0	-49.81	334.55	5.08	-44.73
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010894247	0	32	-1.0	-47.08	296.08	5.57	-41.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300010894248	0	31	-1.0	-46.67	285.10	3.66	-43.01
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894249	0	43	-1.0	-48.07	355.99	6.81	-41.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010894250	0	35	-1.0	-51.34	319.74	6.27	-45.07
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010894251	0	37	-1.0	-51.96	315.33	1.13	-50.83
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894252	0	35	-1.0	-45.46	293.89	5.78	-39.68
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894253	0	43	-1.0	-54.61	351.76	5.36	-49.25
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1C	REAL300010894254	0	40	-1.0	-51.94	337.26	2.63	-49.31
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010894255	0	42	-1.0	-49.33	324.18	5.54	-43.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300010894256	0	40	-1.0	-53.31	339.77	4.43	-48.88
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894257	0	41	-1.0	-53.92	351.49	6.38	-47.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010894258	0	43	-1.0	-52.23	348.86	5.10	-47.13
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894259	0	41	-1.0	-59.49	351.93	6.37	-53.12
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)O1	REAL300010894260	0	38	-1.0	-47.60	334.81	4.72	-42.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010894261	0	43	-1.0	-51.60	357.15	9.10	-42.50
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894262	0	42	-1.0	-52.11	359.23	5.88	-46.23
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894263	0	45	-1.0	-53.11	380.21	6.03	-47.08
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300010894264	0	42	-1.0	-47.18	326.52	5.31	-41.87
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010894265	0	36	-1.0	-61.85	311.30	5.35	-56.50
CCOC(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894266	0	40	-1.0	-54.24	336.12	5.17	-49.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010894267	0	35	-1.0	-54.63	303.11	6.53	-48.10
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010894268	0	34	-1.0	-51.63	307.78	7.17	-44.46
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894269	0	37	-1.0	-60.18	302.15	6.99	-53.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010894270	0	34	-1.0	-45.46	309.21	5.90	-39.56
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010894271	0	29	-1.0	-50.03	285.71	4.62	-45.41
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010894272	0	36	-1.0	-49.09	301.57	5.01	-44.08
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010894273	0	40	-1.0	-51.38	316.19	6.01	-45.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010894274	0	34	-1.0	-54.23	308.82	4.35	-49.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300010894275	0	40	-1.0	-55.41	333.97	4.05	-51.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010894276	0	37	-1.0	-52.87	303.31	5.51	-47.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010894277	0	31	-1.0	-45.51	296.50	3.98	-41.53
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010894278	0	34	-1.0	-46.15	304.01	5.60	-40.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010894279	0	34	-1.0	-49.12	317.75	6.09	-43.03
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894280	0	41	-1.0	-55.40	354.29	3.45	-51.95
CCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010894281	0	37	-1.0	-61.12	325.56	5.73	-55.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010894282	0	34	-1.0	-54.40	300.72	6.13	-48.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010894283	0	34	-1.0	-44.90	308.01	5.70	-39.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010894284	0	39	-1.0	-48.95	344.32	5.63	-43.32
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010894285	0	34	-1.0	-53.71	307.83	7.15	-46.56
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010894286	0	46	-1.0	-49.66	384.63	8.24	-41.42
CC1(C)C2CCC1(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C2	REAL300010894287	0	47	-1.0	-58.81	350.44	7.41	-51.40
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894288	0	40	-1.0	-55.71	353.10	1.55	-54.16
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894289	0	40	-1.0	-61.65	336.44	6.22	-55.43
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COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894369	0	39	-1.0	-50.24	317.38	5.49	-44.75
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010894492	0	32	-1.0	-46.72	297.20	5.55	-41.17
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894493	0	40	-1.0	-56.81	327.38	5.48	-51.33
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300010894494	0	59	-1.0	-48.67	459.86	9.54	-39.13
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010894495	0	41	-1.0	-50.72	334.52	6.45	-44.27
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894496	0	35	-1.0	-49.75	288.47	5.78	-43.97
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894497	0	46	-1.0	-50.65	382.44	5.93	-44.72
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894498	0	33	-1.0	-48.98	297.71	5.51	-43.47
CC1=NC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CS1	REAL300010894499	0	34	-1.0	-54.73	303.76	3.38	-51.35
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010894500	0	35	-1.0	-56.62	317.30	4.07	-52.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010894501	0	38	-1.0	-48.34	340.58	7.85	-40.49
COC(=O)CCCCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894502	0	43	-1.0	-54.31	357.26	5.81	-48.50
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CN=C21	REAL300010894503	0	37	-1.0	-50.40	317.72	4.13	-46.27
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894504	0	40	-1.0	-50.32	340.58	3.17	-47.15
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897001	1	44	-1.0	-58.71	382.70	0.48	-58.23
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897002	0	43	-1.0	-53.84	384.61	1.88	-51.96
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010897003	0	43	-1.0	-57.10	368.58	4.62	-52.48
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010897004	0	32	-1.0	-61.85	299.78	3.35	-58.50
CC1=CC=C(Br)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897005	0	32	-1.0	-48.94	300.38	4.88	-44.06
CC1=CC=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897006	0	32	-1.0	-49.90	297.44	4.70	-45.20
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010897007	0	32	-1.0	-50.66	298.70	4.28	-46.38
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897008	0	40	-1.0	-54.08	363.11	1.09	-52.99
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010897009	0	28	-1.0	-48.82	278.19	2.78	-46.04
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=CC=C12	REAL300010897010	0	40	-1.0	-51.41	349.21	4.52	-46.89
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010897011	0	32	-1.0	-48.93	320.42	5.24	-43.69
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897012	0	37	-1.0	-59.87	334.30	1.61	-58.26
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010897013	0	29	-1.0	-46.41	292.15	4.83	-41.58
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010897014	0	28	-1.0	-46.51	287.92	2.68	-43.83
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897015	0	34	-1.0	-51.03	313.90	2.30	-48.73
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(Cl)S1	REAL300010897016	0	32	-1.0	-52.65	331.31	0.58	-52.07
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897017	0	48	-1.0	-54.79	417.36	4.46	-50.33
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010897018	0	37	-1.0	-49.67	316.17	4.12	-45.55
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897019	0	39	-1.0	-49.19	332.43	4.31	-44.88
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897020	0	43	-1.0	-56.04	397.83	1.11	-54.93
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897021	0	38	-1.0	-58.09	351.63	2.90	-55.19
O=C([O-])C1CC(NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010897022	0	40	-1.0	-49.32	338.03	10.31	-39.01
CC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1Cl	REAL300010897023	0	32	-1.0	-50.37	294.76	4.63	-45.74
CC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300010897024	0	34	-1.0	-50.94	321.75	4.54	-46.40
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010897025	0	40	-1.0	-52.82	368.15	2.41	-50.41
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300010897026	0	42	-1.0	-52.65	361.06	6.05	-46.60
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897027	0	33	-1.0	-52.30	322.08	4.92	-47.38
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010897028	0	38	-1.0	-54.96	329.13	7.23	-47.73
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010897029	0	37	-1.0	-54.29	315.25	5.35	-48.94
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010897030	0	35	-1.0	-55.06	310.68	4.93	-50.13
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897031	0	42	-1.0	-57.76	357.50	4.84	-52.92
O=C([O-])C1CC(NS(=O)(=O)CCCN2CCOCC2)C1	REAL300010897032	0	41	-1.0	-51.33	336.90	0.44	-50.89
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010897033	0	35	-1.0	-48.90	331.75	1.55	-47.35
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897034	0	38	-1.0	-49.86	345.53	5.14	-44.72
CCC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010897035	0	38	-1.0	-50.07	341.76	3.81	-46.26
O=C([O-])C1CC(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010897036	0	46	-1.0	-60.80	380.31	5.37	-55.43
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897037	0	42	-1.0	-49.66	373.48	5.07	-44.59
N#CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Cl)=C1	REAL300010897038	0	30	-1.0	-50.01	296.79	4.45	-45.56
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897039	0	33	-1.0	-47.09	309.55	4.02	-43.07
O=C([O-])C1CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300010897040	0	34	-1.0	-56.31	310.32	3.52	-52.79
O=C([O-])C1CC(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010897041	0	49	-1.0	-57.29	383.41	5.07	-52.22
O=C([O-])C1CC(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300010897042	0	43	-1.0	-53.40	353.87	3.60	-49.80
O=C([O-])C1CC(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300010897043	0	40	-1.0	-53.95	359.56	4.18	-49.77
CCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897044	0	35	-1.0	-48.96	312.18	1.09	-47.87
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010897045	0	31	-1.0	-48.94	297.86	2.71	-46.23
COC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)SC=N1	REAL300010897046	1	31	-1.0	-53.03	297.38	1.84	-51.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897047	0	35	-1.0	-50.06	323.67	4.22	-45.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300010898001	0	40	-1.0	-56.19	340.33	4.60	-51.59
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898002	0	43	-1.0	-57.57	355.74	5.06	-52.51
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010898003	0	37	-1.0	-51.70	323.70	5.59	-46.11
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898004	0	35	-1.0	-50.37	317.27	4.15	-46.22
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898005	0	40	-1.0	-56.64	341.72	4.55	-52.09
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898006	0	36	-1.0	-53.56	318.90	1.77	-51.79
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2CC1C	REAL300010898007	0	43	-1.0	-55.96	357.31	5.08	-50.88
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=CS1	REAL300010898008	0	32	-1.0	-52.40	301.54	3.87	-48.53
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898009	0	32	-1.0	-49.16	310.36	3.25	-45.91
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010898010	0	33	-1.0	-51.10	319.31	4.62	-46.48
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898011	0	35	-1.0	-55.77	311.24	1.91	-53.86
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C1	REAL300010898012	0	35	-1.0	-56.49	319.30	0.44	-56.05
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300010898013	0	35	-1.0	-52.90	313.51	0.67	-52.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)C1	REAL300010898014	0	35	-1.0	-50.51	326.65	1.29	-49.22
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2N=C1	REAL300010898015	0	37	-1.0	-54.19	315.56	5.34	-48.85
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300010898016	0	35	-1.0	-54.66	309.40	4.26	-50.40
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898017	0	33	-1.0	-48.61	307.85	3.80	-44.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300010898018	0	33	-1.0	-50.51	308.06	3.72	-46.79
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898019	0	34	-1.0	-56.61	316.72	-1.56	-58.17
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898020	0	35	-1.0	-53.49	317.47	4.10	-49.39
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300010898021	0	41	-1.0	-55.26	371.46	1.34	-53.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010898022	0	34	-1.0	-53.27	314.57	4.87	-48.40
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300010898023	0	32	-1.0	-49.01	297.37	4.73	-44.28
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)C1	REAL300010898024	0	35	-1.0	-54.46	318.04	-0.14	-54.60
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898025	0	35	-1.0	-57.41	323.15	1.02	-56.39
CN1C(=O)C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C1=O	REAL300010898026	0	36	-1.0	-52.02	328.31	2.71	-49.31
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898027	0	37	-1.0	-49.38	328.23	4.99	-44.39
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300010898028	0	38	-1.0	-48.47	315.16	4.62	-43.85
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010898029	0	37	-1.0	-51.73	319.52	4.75	-46.98
CN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898030	0	35	-1.0	-54.55	316.57	3.45	-51.10
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C1	REAL300010898031	0	34	-1.0	-53.82	310.50	4.94	-48.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898032	0	37	-1.0	-54.44	319.02	6.19	-48.25
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300010898033	0	43	-1.0	-50.86	357.02	4.21	-46.65
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898034	0	33	-1.0	-46.75	325.48	4.56	-42.19
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300010898035	0	33	-1.0	-48.61	308.70	3.25	-45.36
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898036	0	40	-1.0	-54.96	358.33	1.45	-53.51
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C=C2Cl)C1	REAL300010898037	0	29	-1.0	-47.46	282.05	4.13	-43.33
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010898038	0	31	-1.0	-52.18	297.33	5.48	-46.70
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300010898039	0	41	-1.0	-58.05	348.33	2.84	-55.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300010898040	0	39	-1.0	-52.23	334.62	7.12	-45.11
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898041	0	38	-1.0	-53.27	339.33	5.03	-48.24
CCOC(=O)N1CCC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898042	0	43	-1.0	-52.97	347.61	2.89	-50.08
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300010898043	0	29	-1.0	-48.20	284.07	4.08	-44.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010898044	0	31	-1.0	-49.92	291.00	4.12	-45.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300010898045	0	35	-1.0	-50.10	308.42	5.77	-44.33
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898046	0	36	-1.0	-54.70	318.82	2.37	-52.33
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898047	0	34	-1.0	-52.56	306.19	5.01	-47.55
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010898048	0	31	-1.0	-56.19	280.03	4.96	-51.23
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898049	0	36	-1.0	-48.48	324.57	4.86	-43.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300010898050	0	35	-1.0	-51.15	306.95	2.65	-48.50
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898051	0	44	-1.0	-49.29	354.17	6.69	-42.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300010898052	0	29	-1.0	-47.46	294.38	4.47	-42.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300010898053	0	29	-1.0	-47.49	292.31	4.59	-42.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300010898054	0	32	-1.0	-49.01	301.19	4.50	-44.51
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010898055	0	32	-1.0	-50.98	285.10	4.95	-46.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300010898056	0	32	-1.0	-48.48	314.62	4.87	-43.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300010898057	0	32	-1.0	-47.47	315.04	5.06	-42.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300010898058	0	29	-1.0	-47.81	285.05	4.06	-43.75
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)=CO1	REAL300010898059	0	38	-1.0	-53.49	338.85	2.55	-50.94
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300010898060	0	28	-1.0	-47.67	289.89	2.53	-45.14
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898061	0	33	-1.0	-49.50	305.49	3.36	-46.14
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010898062	0	38	-1.0	-52.47	345.48	6.12	-46.35
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898063	0	38	-1.0	-53.26	339.41	4.94	-48.32
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=N2)C=C1	REAL300010898064	0	39	-1.0	-52.47	344.42	5.29	-47.18
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898065	0	40	-1.0	-61.48	343.23	4.57	-56.91
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898066	0	30	-1.0	-54.38	296.74	4.18	-50.20
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300010898067	0	43	-1.0	-55.29	365.37	3.03	-52.26
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300010898068	0	37	-1.0	-50.68	336.31	4.56	-46.12
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010898069	0	34	-1.0	-49.68	306.93	4.63	-45.05
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300010898070	0	43	-1.0	-49.05	377.55	6.07	-42.98
COC(=O)C1=COC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898071	0	32	-1.0	-52.97	303.19	2.21	-50.76
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898072	0	40	-1.0	-55.23	350.20	4.25	-50.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300010898073	0	31	-1.0	-50.45	294.45	2.98	-47.47
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898074	0	39	-1.0	-57.04	340.73	4.14	-52.90
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010898075	0	39	-1.0	-59.35	336.61	3.19	-56.16
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898076	0	41	-1.0	-50.38	336.94	4.01	-46.37
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010898077	0	31	-1.0	-48.61	293.12	2.71	-45.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300010898078	0	35	-1.0	-53.20	313.87	2.55	-50.65
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898079	0	38	-1.0	-48.90	336.32	5.12	-43.78
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300010898080	0	37	-1.0	-51.68	321.68	2.05	-49.63
CN1C=NC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898081	0	35	-1.0	-56.63	310.92	4.80	-51.83
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1CC	REAL300010898082	0	41	-1.0	-49.32	339.74	6.02	-43.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898083	0	37	-1.0	-47.41	316.88	5.75	-41.66
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C)O1	REAL300010898084	0	35	-1.0	-51.85	322.63	3.00	-48.85
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898085	0	30	-1.0	-48.41	285.40	1.36	-47.05
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898086	0	31	-1.0	-53.01	294.88	2.35	-50.66
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300010898087	0	35	-1.0	-48.30	309.72	4.79	-43.51
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300010898088	0	37	-1.0	-57.34	322.12	1.94	-55.40
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1C	REAL300010898089	0	36	-1.0	-55.77	324.46	3.58	-52.19
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010898090	0	29	-1.0	-47.35	285.82	4.03	-43.32
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898091	0	40	-1.0	-51.51	345.32	5.29	-46.22
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010898092	0	32	-1.0	-53.02	309.01	4.73	-48.29
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010898093	0	34	-1.0	-53.18	304.56	-0.34	-53.52
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898094	0	32	-1.0	-47.11	293.97	4.89	-42.22
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898095	0	40	-1.0	-53.56	337.49	4.23	-49.33
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1C	REAL300010898096	0	37	-1.0	-53.29	326.47	1.15	-52.14
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010898097	0	39	-1.0	-48.78	319.31	4.37	-44.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300010898098	0	37	-1.0	-53.34	336.11	3.24	-50.10
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898099	0	38	-1.0	-53.66	341.10	4.86	-48.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010898100	0	40	-1.0	-52.89	338.21	3.57	-49.32
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898101	0	38	-1.0	-57.08	341.25	4.82	-52.26
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898102	0	35	-1.0	-50.28	323.87	3.22	-47.06
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010898103	0	40	-1.0	-50.75	346.69	7.61	-43.14
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898104	0	39	-1.0	-54.96	348.55	4.36	-50.60
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898105	0	42	-1.0	-52.21	369.27	4.57	-47.64
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898106	0	39	-1.0	-49.93	327.46	4.40	-45.53
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010898107	0	33	-1.0	-56.30	300.82	3.86	-52.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010898108	0	32	-1.0	-51.36	299.00	5.51	-45.85
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010898109	0	31	-1.0	-51.83	301.94	5.58	-46.25
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898110	0	34	-1.0	-56.59	301.19	5.88	-50.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010898111	0	31	-1.0	-48.11	307.16	4.89	-43.22
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010898112	0	26	-1.0	-48.59	268.29	2.94	-45.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010898113	0	33	-1.0	-52.48	300.29	3.86	-48.62
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010898114	0	37	-1.0	-50.69	308.88	4.69	-46.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010898115	0	31	-1.0	-52.67	298.04	2.83	-49.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300010898116	0	37	-1.0	-52.57	328.21	2.71	-49.86
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010898117	0	34	-1.0	-53.25	299.56	4.02	-49.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010898118	0	28	-1.0	-47.30	292.10	2.81	-44.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010898119	0	31	-1.0	-49.23	288.53	3.92	-45.31
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010898120	0	31	-1.0	-49.55	307.12	4.58	-44.97
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898121	0	38	-1.0	-54.22	337.87	1.94	-52.28
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010898122	0	34	-1.0	-56.96	313.38	4.34	-52.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010898123	0	31	-1.0	-56.80	296.63	4.88	-51.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010898124	0	31	-1.0	-48.55	297.09	4.23	-44.32
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010898125	0	36	-1.0	-51.60	333.60	4.14	-47.46
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010898126	0	31	-1.0	-51.91	301.94	5.58	-46.33
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010898127	0	43	-1.0	-51.16	373.93	6.73	-44.43
CC1(C)C2CCC1(CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)C2	REAL300010898128	0	44	-1.0	-55.21	339.43	5.94	-49.27
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898129	0	37	-1.0	-53.74	333.84	-0.04	-53.78
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898130	0	37	-1.0	-56.01	325.83	4.72	-51.29
CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898131	0	42	-1.0	-51.10	347.59	2.22	-48.88
COC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010898132	0	38	-1.0	-51.97	342.27	4.71	-47.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300010898133	0	39	-1.0	-52.52	349.19	5.03	-47.49
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898134	0	51	-1.0	-48.47	401.84	6.46	-42.01
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898135	0	35	-1.0	-52.11	334.46	4.87	-47.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898136	0	37	-1.0	-56.06	339.74	0.11	-55.95
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010898137	0	35	-1.0	-57.04	327.62	1.03	-56.01
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1F	REAL300010898138	0	32	-1.0	-47.88	295.08	4.24	-43.64
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898139	0	36	-1.0	-49.63	330.26	4.45	-45.18
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898140	0	41	-1.0	-51.44	353.27	5.02	-46.42
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2F)N=C1	REAL300010898141	0	39	-1.0	-50.96	346.05	5.35	-45.61
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898142	0	36	-1.0	-50.30	338.40	3.35	-46.95
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898143	0	36	-1.0	-59.46	326.48	-1.81	-61.27
CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898144	0	32	-1.0	-48.11	287.08	3.97	-44.14
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898145	0	34	-1.0	-50.19	320.27	5.23	-44.96
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010898146	0	35	-1.0	-49.97	315.94	4.76	-45.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010898147	0	26	-1.0	-46.27	290.79	3.72	-42.55
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300010898148	0	41	-1.0	-51.79	356.18	5.48	-46.31
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300010898149	0	29	-1.0	-49.00	290.03	4.16	-44.84
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010898150	0	35	-1.0	-48.86	316.88	5.02	-43.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010898151	0	35	-1.0	-51.09	335.80	4.21	-46.88
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C12	REAL300010898152	0	37	-1.0	-51.94	328.78	3.23	-48.71
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898153	0	36	-1.0	-51.85	331.19	4.08	-47.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300010898154	0	32	-1.0	-52.47	313.07	4.82	-47.65
CC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C12	REAL300010898155	0	33	-1.0	-53.75	302.22	0.47	-53.28
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300010898156	0	38	-1.0	-50.82	344.09	6.33	-44.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010898157	0	31	-1.0	-52.67	298.04	2.83	-49.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300010898158	0	31	-1.0	-49.86	307.92	4.88	-44.98
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898159	0	35	-1.0	-51.10	313.07	5.05	-46.05
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300010898160	0	32	-1.0	-51.05	299.87	4.63	-46.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300010898161	0	41	-1.0	-62.89	359.92	2.09	-60.80
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CN=C2S1	REAL300010898162	0	43	-1.0	-50.92	387.10	5.06	-45.86
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010898163	0	36	-1.0	-52.46	332.46	3.96	-48.50
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010898164	0	29	-1.0	-48.37	297.32	4.67	-43.70
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898165	0	37	-1.0	-50.25	341.04	3.24	-47.01
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CN=C21	REAL300010898166	0	37	-1.0	-51.43	332.45	0.85	-50.58
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010898167	0	38	-1.0	-51.54	343.66	5.10	-46.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300010898168	0	37	-1.0	-53.63	325.08	4.12	-49.51
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300010898169	0	32	-1.0	-48.85	318.90	5.41	-43.44
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010898170	0	35	-1.0	-48.34	323.87	6.24	-42.10
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300010898171	0	32	-1.0	-49.97	316.65	5.34	-44.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300010898172	0	35	-1.0	-50.57	308.39	6.31	-44.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300010898173	0	35	-1.0	-52.41	320.19	6.34	-46.07
COC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898174	0	33	-1.0	-47.64	324.46	4.07	-43.57
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010898175	0	43	-1.0	-54.43	376.20	5.69	-48.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898176	0	35	-1.0	-53.64	327.55	1.04	-52.60
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898177	0	42	-1.0	-54.06	369.01	5.03	-49.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300010898178	0	40	-1.0	-58.36	362.66	0.51	-57.85
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898179	1	30	-1.0	-50.02	290.16	4.07	-45.95
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1N(C)C	REAL300010898180	0	40	-1.0	-49.12	337.57	4.12	-45.00
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898181	0	34	-1.0	-51.02	318.65	5.40	-45.62
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898182	0	32	-1.0	-60.88	305.24	4.19	-56.69
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898183	0	35	-1.0	-51.22	324.00	5.48	-45.74
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898184	0	41	-1.0	-50.22	338.35	3.92	-46.30
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898185	0	35	-1.0	-58.53	323.36	0.96	-57.57
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C1(C)NC(=O)NC1=O	REAL300010898186	0	45	-1.0	-55.07	382.47	1.08	-53.99
CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898187	0	43	-1.0	-53.36	354.74	4.11	-49.25
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898188	0	37	-1.0	-55.43	324.58	4.75	-50.68
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300010898189	0	44	-1.0	-55.31	384.46	2.62	-52.69
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898190	0	39	-1.0	-55.26	339.40	3.16	-52.10
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300010898191	0	32	-1.0	-50.88	308.36	4.74	-46.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010898192	0	30	-1.0	-58.07	276.94	4.16	-53.91
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898193	0	38	-1.0	-54.86	331.13	5.27	-49.59
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300010898194	0	29	-1.0	-48.83	282.41	4.12	-44.71
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898195	0	48	-1.0	-57.74	395.62	6.67	-51.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300010898196	0	32	-1.0	-50.60	313.34	5.08	-45.52
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898197	0	36	-1.0	-53.14	339.51	3.06	-50.08
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010898198	0	37	-1.0	-50.42	319.66	4.06	-46.36
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898199	0	33	-1.0	-47.68	321.43	3.93	-43.75
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898200	0	41	-1.0	-52.96	349.85	2.40	-50.56
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CS1	REAL300010898201	0	32	-1.0	-52.54	310.27	3.13	-49.41
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898202	0	38	-1.0	-50.99	345.56	5.98	-45.01
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300010898203	0	40	-1.0	-50.28	369.61	6.94	-43.34
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010898204	0	38	-1.0	-51.92	326.49	4.88	-47.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300010898205	0	31	-1.0	-48.30	312.21	4.74	-43.56
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898206	0	33	-1.0	-47.26	318.63	4.09	-43.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898207	0	41	-1.0	-50.33	336.97	3.95	-46.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010898208	0	31	-1.0	-52.01	290.76	4.15	-47.86
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)=C1	REAL300010898209	0	43	-1.0	-50.05	374.28	7.08	-42.97
CN(CCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010898210	0	43	-1.0	-55.53	386.42	2.41	-53.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300010898211	0	32	-1.0	-53.47	294.52	0.96	-52.51
CN1C(=O)CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898212	0	37	-1.0	-51.77	325.30	3.92	-47.85
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010898213	0	29	-1.0	-47.32	290.28	4.59	-42.73
COC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898214	0	40	-1.0	-53.34	334.66	3.20	-50.14
COC1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898215	0	39	-1.0	-49.29	336.04	4.38	-44.91
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010898216	0	38	-1.0	-51.86	357.72	4.71	-47.15
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)N=C3SC=CN32)C1	REAL300010898217	0	29	-1.0	-52.67	292.69	3.47	-49.20
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300010898218	0	42	-1.0	-55.45	383.59	5.67	-49.78
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300010898219	0	38	-1.0	-56.93	341.38	5.30	-51.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010898220	0	35	-1.0	-51.68	327.39	4.30	-47.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010898221	0	35	-1.0	-50.66	340.70	4.68	-45.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCOCC(F)(F)F)C1	REAL300010898222	0	32	-1.0	-52.87	301.62	1.63	-51.24
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2O1	REAL300010898223	0	34	-1.0	-52.43	306.30	1.10	-51.33
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898224	0	41	-1.0	-48.11	320.52	6.55	-41.56
CC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898226	0	29	-1.0	-47.62	292.85	4.06	-43.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)C1	REAL300010898227	0	34	-1.0	-52.55	326.58	4.35	-48.20
CC1=C(Br)SC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300010898228	1	28	-1.0	-47.04	283.51	1.44	-45.60
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898229	0	34	-1.0	-51.74	310.70	5.06	-46.68
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)C1	REAL300010898230	0	33	-1.0	-50.05	315.26	2.36	-47.69
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010898231	0	34	-1.0	-58.23	304.21	5.26	-52.97
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010898232	0	37	-1.0	-56.36	327.30	5.37	-50.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010898233	0	37	-1.0	-54.94	336.06	5.66	-49.28
CC1=NN2C=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=NC2=C1Cl	REAL300010898234	0	34	-1.0	-51.81	319.73	3.24	-48.57
CCCCCCN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010898235	0	47	-1.0	-57.02	399.52	4.18	-52.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300010898237	0	32	-1.0	-52.84	296.89	4.25	-48.59
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@H]4C[C@H](C(=O)[O-])C4)C=CC1=C23	REAL300010898238	0	40	-1.0	-53.99	349.05	5.39	-48.60
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898239	0	33	-1.0	-55.26	312.57	4.58	-50.68
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010898240	0	34	-1.0	-52.02	315.70	4.77	-47.25
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898241	0	35	-1.0	-51.39	313.67	5.04	-46.35
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(OC)=C1	REAL300010898242	0	44	-1.0	-55.63	385.93	0.92	-54.71
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898243	1	44	-1.0	-54.26	379.28	0.71	-53.55
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898244	0	43	-1.0	-51.36	384.37	1.95	-49.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010898245	0	43	-1.0	-55.15	368.34	4.69	-50.46
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010898246	0	32	-1.0	-61.90	299.71	3.36	-58.54
CC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898247	0	32	-1.0	-49.56	301.09	4.88	-44.68
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898248	0	32	-1.0	-48.98	297.38	4.74	-44.24
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010898249	0	32	-1.0	-52.78	298.18	4.27	-48.51
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898250	0	40	-1.0	-51.53	362.87	1.16	-50.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010898251	0	28	-1.0	-48.81	277.54	2.80	-46.01
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010898252	0	40	-1.0	-51.67	349.92	4.50	-47.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010898253	0	32	-1.0	-50.67	319.92	5.23	-45.44
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898254	0	37	-1.0	-60.69	346.09	1.77	-58.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010898255	0	29	-1.0	-46.15	291.39	4.81	-41.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010898256	0	28	-1.0	-47.00	288.69	2.67	-44.33
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898257	0	34	-1.0	-51.26	313.48	2.27	-48.99
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(Cl)S1	REAL300010898258	0	32	-1.0	-54.90	331.56	0.59	-54.31
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898259	0	48	-1.0	-55.98	418.07	4.45	-51.53
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010898260	0	37	-1.0	-50.18	316.39	4.08	-46.10
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898261	0	39	-1.0	-49.04	331.73	4.34	-44.70
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898262	0	43	-1.0	-56.09	397.77	1.12	-54.97
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898263	0	38	-1.0	-57.99	348.07	2.97	-55.02
O=C([O-])[C@H]1C[C@H](NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010898264	0	40	-1.0	-49.31	338.02	10.32	-38.99
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Cl	REAL300010898265	0	32	-1.0	-50.24	295.07	4.64	-45.60
CC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010898266	0	34	-1.0	-50.73	320.27	4.49	-46.24
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010898267	0	40	-1.0	-52.48	367.30	2.45	-50.03
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300010898268	0	42	-1.0	-51.92	361.11	6.08	-45.84
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898269	0	33	-1.0	-53.65	321.39	4.94	-48.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010898270	0	38	-1.0	-56.81	329.23	7.29	-49.52
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010898271	0	37	-1.0	-56.22	314.11	5.41	-50.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010898272	0	35	-1.0	-55.38	312.16	4.92	-50.46
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010898273	0	42	-1.0	-57.89	357.44	4.84	-53.05
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCN2CCOCC2)C1	REAL300010898274	0	41	-1.0	-52.92	336.39	0.42	-52.50
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010898275	0	35	-1.0	-49.65	331.35	1.53	-48.12
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898276	0	38	-1.0	-50.23	345.78	5.10	-45.13
CCC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010898277	0	38	-1.0	-50.95	342.49	3.79	-47.16
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010898278	0	46	-1.0	-59.57	378.06	5.29	-54.28
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898279	0	42	-1.0	-49.68	373.47	5.08	-44.60
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300010898280	0	30	-1.0	-49.40	296.40	4.47	-44.93
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898281	0	33	-1.0	-47.86	318.18	3.91	-43.95
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300010898282	0	34	-1.0	-57.64	309.78	3.51	-54.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010898283	0	49	-1.0	-56.95	384.22	5.11	-51.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300010898284	0	43	-1.0	-54.43	352.79	3.57	-50.86
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300010898285	0	40	-1.0	-55.57	358.54	4.10	-51.47
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898286	0	35	-1.0	-49.51	311.78	1.07	-48.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010898287	0	31	-1.0	-49.51	297.17	2.74	-46.77
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)SC=N1	REAL300010898288	1	31	-1.0	-55.72	298.15	1.73	-53.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898289	0	35	-1.0	-50.19	323.66	4.22	-45.97
CC(=O)N1CCCC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901001	0	42	-1.0	-52.26	330.18	4.05	-48.21
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300010901002	0	36	-1.0	-42.20	300.05	4.57	-37.63
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901003	0	34	-1.0	-44.71	292.76	3.14	-41.57
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901004	0	39	-1.0	-53.59	319.44	3.59	-50.00
CNC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901005	0	35	-1.0	-48.67	294.42	0.75	-47.92
CC(=O)N1C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2CC1C	REAL300010901006	0	42	-1.0	-52.83	330.22	3.97	-48.86
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CS1	REAL300010901007	0	31	-1.0	-51.57	277.85	2.89	-48.68
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901008	0	31	-1.0	-42.65	285.26	2.18	-40.47
CC(C)(NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901009	0	32	-1.0	-42.28	294.63	3.66	-38.62
CCOC(=O)C1=CNN=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901010	0	34	-1.0	-54.22	293.74	1.19	-53.03
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010901011	0	34	-1.0	-49.26	294.53	-0.53	-49.79
CC(C)(NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010901012	0	34	-1.0	-46.07	287.70	-0.34	-46.41
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010901013	0	34	-1.0	-45.65	303.72	0.44	-45.21
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2N=C1	REAL300010901014	0	36	-1.0	-54.70	301.89	3.88	-50.82
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010901015	0	34	-1.0	-53.47	285.71	3.23	-50.24
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901016	0	32	-1.0	-44.90	285.22	2.89	-42.01
CC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010901017	0	32	-1.0	-47.60	285.26	2.85	-44.75
CC(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010901018	0	33	-1.0	-52.22	293.36	-2.48	-54.70
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901019	0	34	-1.0	-50.00	293.92	3.21	-46.79
CC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010901020	0	40	-1.0	-49.44	346.40	0.29	-49.15
CC(C)(NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010901021	0	33	-1.0	-45.12	290.73	3.96	-41.16
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010901022	0	34	-1.0	-50.14	292.88	-1.16	-51.30
CC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010901023	0	34	-1.0	-51.86	299.35	-0.01	-51.87
CN1C(=O)C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C1=O	REAL300010901024	0	35	-1.0	-44.05	302.79	1.75	-42.30
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CN=C12	REAL300010901025	0	36	-1.0	-46.73	294.93	3.77	-42.96
CN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901026	0	34	-1.0	-48.79	292.11	2.43	-46.36
CC(C)(NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010901027	0	33	-1.0	-46.80	285.80	3.97	-42.83
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901028	0	36	-1.0	-54.24	295.66	5.24	-49.00
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901029	0	32	-1.0	-42.03	302.58	3.56	-38.47
CC(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010901030	0	32	-1.0	-43.29	284.49	2.26	-41.03
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901031	0	39	-1.0	-51.25	334.69	0.56	-50.69
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901032	0	30	-1.0	-50.47	274.02	4.61	-45.86
CC(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010901033	0	40	-1.0	-53.10	324.96	1.94	-51.16
CC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010901034	0	38	-1.0	-46.96	304.03	6.38	-40.58
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901035	0	37	-1.0	-49.38	313.72	4.00	-45.38
CCOC(=O)N1CCC(S(=O)(=O)NC(C)(C)C(=O)[O-])CC1	REAL300010901036	0	42	-1.0	-46.69	333.56	2.62	-44.07
CC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010901037	0	28	-1.0	-41.98	259.24	3.09	-38.89
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901038	0	35	-1.0	-50.45	293.92	1.32	-49.13
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901039	0	33	-1.0	-42.89	282.59	3.96	-38.93
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901040	0	35	-1.0	-45.93	312.06	3.80	-42.13
CC(C)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010901041	0	34	-1.0	-46.74	282.43	1.63	-45.11
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901042	0	43	-1.0	-43.57	330.63	5.61	-37.96
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010901043	0	28	-1.0	-40.66	269.30	3.42	-37.24
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010901044	0	28	-1.0	-42.71	268.75	3.61	-39.10
CC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901045	0	31	-1.0	-43.02	277.00	3.48	-39.54
CC(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010901046	0	31	-1.0	-48.79	263.43	4.06	-44.73
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901047	0	31	-1.0	-40.72	289.83	3.88	-36.84
CC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010901048	0	31	-1.0	-43.01	291.81	4.20	-38.81
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=CO1	REAL300010901049	0	37	-1.0	-49.28	314.43	1.51	-47.77
CC(C)(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010901050	0	27	-1.0	-39.62	266.18	1.58	-38.04
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901051	0	32	-1.0	-45.60	281.50	2.39	-43.21
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010901052	0	37	-1.0	-51.34	317.75	5.41	-45.93
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300010901053	0	36	-1.0	-47.65	316.19	2.53	-45.12
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901054	0	37	-1.0	-48.84	315.61	3.92	-44.92
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300010901055	0	38	-1.0	-47.09	319.51	4.23	-42.86
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901056	0	39	-1.0	-56.59	317.58	3.57	-53.02
CC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010901057	0	29	-1.0	-52.80	273.59	3.32	-49.48
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010901058	0	42	-1.0	-47.27	336.29	2.67	-44.60
CC1CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010901059	0	36	-1.0	-42.78	312.58	3.57	-39.21
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010901060	0	33	-1.0	-41.88	282.01	3.63	-38.25
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010901061	0	42	-1.0	-41.02	355.35	5.17	-35.85
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N1	REAL300010901062	0	39	-1.0	-50.60	325.34	3.19	-47.41
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(F)C=C1Br	REAL300010901063	0	34	-1.0	-42.43	316.90	3.78	-38.65
CC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010901064	0	30	-1.0	-44.14	270.98	1.86	-42.28
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901065	0	38	-1.0	-49.57	315.33	3.07	-46.50
CC(=O)NC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1C	REAL300010901066	0	38	-1.0	-57.82	310.61	2.19	-55.63
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901067	0	40	-1.0	-45.92	313.16	3.01	-42.91
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010901068	0	34	-1.0	-46.75	288.25	1.46	-45.29
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901069	0	37	-1.0	-43.61	310.43	4.07	-39.54
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901070	0	36	-1.0	-46.47	297.68	1.08	-45.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901071	0	36	-1.0	-40.85	293.53	4.83	-36.02
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C)O1	REAL300010901072	0	34	-1.0	-42.43	297.30	2.09	-40.34
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901073	0	30	-1.0	-51.30	271.73	1.38	-49.92
CC(C)(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010901074	0	36	-1.0	-52.23	296.97	0.91	-51.32
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1C	REAL300010901075	0	35	-1.0	-48.41	298.95	2.59	-45.82
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901076	0	39	-1.0	-46.41	319.81	4.32	-42.09
CC(C)(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010901077	0	31	-1.0	-43.48	285.11	3.85	-39.63
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010901078	0	37	-1.0	-45.01	333.06	4.94	-40.07
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1C	REAL300010901079	0	36	-1.0	-47.55	301.95	0.14	-47.41
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1	REAL300010901080	0	38	-1.0	-44.01	295.38	3.33	-40.68
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300010901081	0	34	-1.0	-45.25	307.05	0.59	-44.66
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010901082	0	36	-1.0	-48.00	312.89	2.39	-45.61
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901083	0	37	-1.0	-46.72	317.32	3.96	-42.76
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010901084	0	39	-1.0	-46.99	313.47	2.61	-44.38
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901085	0	37	-1.0	-45.86	316.93	4.05	-41.81
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])O1	REAL300010901086	0	34	-1.0	-42.54	300.92	2.48	-40.06
CC(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010901087	0	39	-1.0	-45.92	322.17	6.59	-39.33
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901088	0	38	-1.0	-49.87	323.81	3.40	-46.47
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901089	0	41	-1.0	-47.10	344.76	3.55	-43.55
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901090	0	38	-1.0	-43.46	304.46	3.37	-40.09
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010901091	0	31	-1.0	-49.23	273.28	4.64	-44.59
CC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901092	0	30	-1.0	-49.90	277.54	4.55	-45.35
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901093	0	33	-1.0	-55.94	268.47	4.69	-51.25
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010901094	0	30	-1.0	-41.74	284.61	4.01	-37.73
CC(C)(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010901095	0	25	-1.0	-42.17	247.56	2.01	-40.16
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010901096	0	36	-1.0	-47.07	285.79	3.70	-43.37
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010901097	0	36	-1.0	-49.25	305.77	1.86	-47.39
CC(C)(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010901098	0	27	-1.0	-41.68	269.57	1.94	-39.74
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010901099	0	30	-1.0	-43.76	274.19	3.34	-40.42
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010901100	0	30	-1.0	-40.64	282.31	3.59	-37.05
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901101	0	37	-1.0	-50.47	319.61	1.30	-49.17
CCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010901102	0	33	-1.0	-54.73	289.41	3.27	-51.46
CC(C)(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901103	0	30	-1.0	-55.76	273.73	3.98	-51.78
CC(C)(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010901104	0	30	-1.0	-41.83	273.47	3.20	-38.63
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010901105	0	35	-1.0	-45.71	309.28	3.16	-42.55
CC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901106	0	30	-1.0	-50.20	278.60	4.71	-45.49
CC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010901107	0	42	-1.0	-45.24	349.19	5.75	-39.49
CC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010901108	0	36	-1.0	-55.43	319.59	-0.59	-56.02
COC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010901109	0	37	-1.0	-48.06	317.97	3.74	-44.32
CC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010901110	0	38	-1.0	-47.67	323.76	4.04	-43.63
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901111	0	34	-1.0	-45.72	310.10	3.90	-41.82
CC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010901112	0	36	-1.0	-51.42	314.35	-0.95	-52.37
CC(C)(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010901113	0	34	-1.0	-49.56	302.47	-0.01	-49.57
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901114	0	35	-1.0	-45.99	308.15	3.48	-42.51
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901115	0	40	-1.0	-45.90	328.80	4.01	-41.89
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2F)N=C1	REAL300010901116	0	38	-1.0	-47.31	322.84	4.48	-42.83
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901117	0	35	-1.0	-44.38	313.50	1.53	-42.85
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901118	0	35	-1.0	-45.36	302.20	-2.58	-47.94
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010901119	0	33	-1.0	-42.55	296.13	4.25	-38.30
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010901120	0	34	-1.0	-42.68	292.57	4.05	-38.63
CC(C)(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010901121	0	25	-1.0	-39.86	268.02	2.84	-37.02
CC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010901122	0	40	-1.0	-46.60	331.90	4.46	-42.14
CC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010901123	0	28	-1.0	-44.18	267.22	3.26	-40.92
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010901124	0	34	-1.0	-44.59	291.81	3.96	-40.63
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010901125	0	34	-1.0	-44.58	311.99	3.81	-40.77
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300010901126	0	36	-1.0	-44.66	304.26	2.10	-42.56
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901127	0	35	-1.0	-46.99	308.56	3.29	-43.70
CC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010901128	0	31	-1.0	-45.62	290.27	4.07	-41.55
CC(C)(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010901129	0	37	-1.0	-45.71	320.42	5.31	-40.40
CC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010901130	0	30	-1.0	-42.02	283.59	3.91	-38.11
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901131	0	34	-1.0	-49.81	289.22	4.04	-45.77
CC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010901132	0	40	-1.0	-56.09	335.08	0.97	-55.12
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C2S1	REAL300010901133	0	42	-1.0	-43.15	362.31	3.97	-39.18
CC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010901134	0	35	-1.0	-44.10	308.51	3.09	-41.01
CC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010901135	0	28	-1.0	-42.55	273.32	3.72	-38.83
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300010901136	0	36	-1.0	-46.41	318.53	2.31	-44.10
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C21	REAL300010901137	0	36	-1.0	-43.06	307.38	-0.12	-43.18
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901138	0	37	-1.0	-45.25	331.96	4.83	-40.42
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(Br)C=C1F	REAL300010901139	0	34	-1.0	-41.54	314.69	3.94	-37.60
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1F	REAL300010901140	0	37	-1.0	-45.19	319.18	4.08	-41.11
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010901141	0	36	-1.0	-51.66	300.73	3.11	-48.55
CC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010901142	0	31	-1.0	-42.81	293.22	4.35	-38.46
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010901143	0	34	-1.0	-44.13	305.24	5.35	-38.78
CC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010901144	0	31	-1.0	-46.09	292.89	4.45	-41.64
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010901145	0	34	-1.0	-48.90	289.87	5.50	-43.40
CC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010901146	0	34	-1.0	-50.49	296.96	5.39	-45.10
COC1=CC(Br)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901147	0	32	-1.0	-42.10	300.93	3.12	-38.98
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010901148	0	42	-1.0	-48.46	351.36	4.70	-43.76
CC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010901149	0	34	-1.0	-46.96	303.03	0.01	-46.95
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901150	0	41	-1.0	-50.75	344.91	4.00	-46.75
CC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010901151	0	39	-1.0	-50.10	338.76	-0.36	-50.46
CC(C)(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010901152	1	29	-1.0	-45.50	266.48	3.14	-42.36
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1N(C)C	REAL300010901153	0	39	-1.0	-44.65	313.00	3.13	-41.52
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901154	0	33	-1.0	-40.41	295.17	4.35	-36.06
CC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010901155	0	31	-1.0	-59.08	282.70	3.32	-55.76
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901156	0	34	-1.0	-49.56	299.97	4.53	-45.03
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901157	0	40	-1.0	-44.94	314.64	2.79	-42.15
CC(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010901158	0	34	-1.0	-54.68	299.40	-0.01	-54.69
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010901159	0	44	-1.0	-48.03	357.06	0.11	-47.92
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901160	0	36	-1.0	-54.11	301.83	3.89	-50.22
CC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010901161	0	43	-1.0	-49.31	361.07	1.70	-47.61
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901162	0	38	-1.0	-50.36	314.21	2.14	-48.22
CC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010901163	0	31	-1.0	-45.22	284.55	3.83	-41.39
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901164	0	47	-1.0	-60.16	369.10	5.80	-54.36
CC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010901165	0	31	-1.0	-44.34	288.22	4.26	-40.08
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901166	0	35	-1.0	-50.34	317.14	2.16	-48.18
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901167	0	32	-1.0	-42.55	297.58	2.96	-39.59
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901168	0	40	-1.0	-51.02	328.18	1.46	-49.56
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CS1	REAL300010901169	0	31	-1.0	-47.60	284.64	2.17	-45.43
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901170	0	37	-1.0	-49.25	321.87	5.00	-44.25
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010901171	0	39	-1.0	-45.06	344.81	5.89	-39.17
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300010901172	0	37	-1.0	-48.24	304.18	3.82	-44.42
CC(C)(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010901173	0	30	-1.0	-41.63	288.37	3.75	-37.88
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901174	0	32	-1.0	-42.56	294.93	3.15	-39.41
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901175	0	40	-1.0	-45.61	316.97	2.91	-42.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010901176	0	42	-1.0	-44.69	349.63	6.03	-38.66
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010901177	0	31	-1.0	-45.67	268.71	-0.07	-45.74
CN1C(=O)CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901178	0	36	-1.0	-45.98	300.72	2.89	-43.09
CC(C)(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010901179	0	28	-1.0	-41.81	265.72	3.56	-38.25
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901180	0	38	-1.0	-44.05	311.61	3.33	-40.72
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010901181	0	37	-1.0	-49.67	335.57	3.84	-45.83
CC(C)(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010901182	0	28	-1.0	-46.88	272.61	2.94	-43.94
CC(C)(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300010901183	0	41	-1.0	-52.13	360.21	4.75	-47.38
CC(C)(NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010901184	0	37	-1.0	-40.97	316.99	4.52	-36.45
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010901185	0	45	-1.0	-56.03	374.23	2.16	-53.87
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010901186	0	34	-1.0	-47.47	307.05	3.61	-43.86
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010901187	0	34	-1.0	-44.37	322.31	4.26	-40.11
CC1=CC(Br)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901189	0	28	-1.0	-42.28	269.44	2.81	-39.47
CC(C)(NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010901190	0	33	-1.0	-48.61	303.75	3.50	-45.11
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901191	0	33	-1.0	-40.79	287.23	4.01	-36.78
CC(C)(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010901192	0	32	-1.0	-44.22	290.80	1.32	-42.90
CC(C)(NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901193	0	33	-1.0	-55.53	280.32	4.38	-51.15
CC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901194	0	36	-1.0	-53.20	304.57	4.57	-48.63
CC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010901195	0	36	-1.0	-40.16	311.83	4.85	-35.31
CC1=NN2C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=NC2=C1Cl	REAL300010901196	0	33	-1.0	-43.29	301.47	2.54	-40.75
CCCCCCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010901197	0	46	-1.0	-53.77	376.60	3.10	-50.67
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC1=C23	REAL300010901199	0	39	-1.0	-48.14	325.86	4.53	-43.61
CC(C)(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010901200	0	32	-1.0	-47.41	288.67	3.70	-43.71
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010901201	0	33	-1.0	-41.99	290.99	3.80	-38.19
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901202	0	34	-1.0	-49.56	289.66	4.10	-45.46
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010901203	0	46	-1.0	-51.53	384.82	0.77	-50.76
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010901204	0	43	-1.0	-51.78	363.32	-0.01	-51.79
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901205	1	43	-1.0	-46.14	356.11	-0.33	-46.47
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901206	0	42	-1.0	-45.07	359.22	0.93	-44.14
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010901207	0	42	-1.0	-49.03	343.65	3.67	-45.36
CC(C)(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010901208	0	31	-1.0	-59.98	276.42	2.35	-57.63
CC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901209	0	31	-1.0	-45.79	277.81	4.01	-41.78
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901210	0	39	-1.0	-45.19	337.72	0.14	-45.05
CC(C)(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010901211	0	27	-1.0	-44.72	256.18	1.76	-42.96
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C12	REAL300010901212	0	39	-1.0	-45.68	326.63	3.64	-42.04
CC(C)(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300010901213	0	38	-1.0	-44.70	332.44	6.47	-38.23
CC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010901214	0	31	-1.0	-44.05	297.22	4.48	-39.57
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010901215	0	36	-1.0	-60.82	323.21	0.80	-60.02
CC(C)(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010901216	0	28	-1.0	-41.37	271.22	3.96	-37.41
CC(C)(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901217	0	27	-1.0	-40.17	265.48	1.77	-38.40
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N1	REAL300010901218	0	33	-1.0	-42.86	289.72	1.20	-41.66
CC(C)(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010901219	0	31	-1.0	-49.61	309.26	-0.27	-49.88
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901220	0	47	-1.0	-50.34	392.27	3.40	-46.94
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901221	0	38	-1.0	-44.09	306.74	3.28	-40.81
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901222	0	42	-1.0	-51.40	372.74	0.05	-51.35
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010901223	0	37	-1.0	-47.09	328.06	2.43	-44.66
CC(=O)NC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300010901224	0	38	-1.0	-47.02	330.65	3.11	-43.91
CC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010901225	0	33	-1.0	-42.93	297.04	3.59	-39.34
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010901226	0	39	-1.0	-46.49	342.76	1.46	-45.03
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300010901227	0	41	-1.0	-46.63	337.09	5.10	-41.53
CC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010901228	0	32	-1.0	-48.88	297.41	4.04	-44.84
CC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010901229	0	37	-1.0	-49.67	305.05	6.31	-43.36
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010901230	0	36	-1.0	-52.57	291.64	4.47	-48.10
CC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010901231	0	34	-1.0	-54.48	287.68	3.97	-50.51
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010901232	0	41	-1.0	-53.19	332.16	3.94	-49.25
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010901233	0	34	-1.0	-42.23	306.46	0.45	-41.78
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901234	0	37	-1.0	-44.35	320.02	4.08	-40.27
CCC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010901235	0	37	-1.0	-42.02	318.57	2.84	-39.18
CC(C)(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010901236	0	45	-1.0	-57.30	354.96	4.52	-52.78
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901237	0	41	-1.0	-44.65	350.01	4.17	-40.48
CC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010901238	0	29	-1.0	-44.52	273.82	3.60	-40.92
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901239	0	32	-1.0	-42.88	295.65	2.97	-39.91
CC(C)(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010901240	0	48	-1.0	-53.64	357.67	4.21	-49.43
CC(C)(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010901241	0	45	-1.0	-54.33	369.04	4.95	-49.38
CC(C)(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010901242	0	42	-1.0	-44.09	332.50	2.84	-41.25
CC(C)(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010901243	0	39	-1.0	-41.68	335.28	3.30	-38.38
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010901244	0	30	-1.0	-42.60	272.43	1.71	-40.89
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])SC=N1	REAL300010901245	1	30	-1.0	-50.99	273.82	0.94	-50.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901246	0	34	-1.0	-44.71	298.15	3.15	-41.56
CCC(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010903001	0	37	-1.0	-53.34	330.62	6.52	-46.82
CCC(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010903002	0	31	-1.0	-52.80	297.53	4.20	-48.60
CCC(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010903003	0	31	-1.0	-46.12	286.06	4.35	-41.77
CCC(CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300010903004	0	43	-1.0	-50.75	331.88	6.14	-44.61
CCC(CNS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010903005	0	40	-1.0	-54.70	336.45	4.10	-50.60
CCC(CNS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903006	0	37	-1.0	-57.71	319.61	5.11	-52.60
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903007	0	40	-1.0	-48.45	352.23	5.19	-43.26
CCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010903008	0	31	-1.0	-54.34	293.07	4.11	-50.23
CCC(CNS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903009	0	37	-1.0	-57.22	331.74	4.33	-52.89
CCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010903010	0	43	-1.0	-53.59	352.42	5.91	-47.68
CCC(C)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903011	0	43	-1.0	-45.70	349.06	6.22	-39.48
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010903012	0	48	-1.0	-49.74	407.12	3.35	-46.39
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010903013	0	42	-1.0	-52.49	371.11	1.60	-50.89
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010903014	0	35	-1.0	-46.72	305.85	0.44	-46.28
CCC(CNS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010903015	0	41	-1.0	-57.60	358.41	2.60	-55.00
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010903016	0	33	-1.0	-41.81	299.97	4.34	-37.47
CCC(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010903017	0	31	-1.0	-48.93	297.75	4.85	-44.08
CCC(CNS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010903018	0	31	-1.0	-44.81	298.57	4.27	-40.54
CCC(CNS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010903019	0	35	-1.0	-53.39	326.13	3.56	-49.83
CCC(CNS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010903020	0	42	-1.0	-57.74	348.16	2.29	-55.45
CCC(CNS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010903021	0	31	-1.0	-52.86	287.06	3.47	-49.39
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010903022	0	31	-1.0	-44.30	309.08	4.63	-39.67
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903023	0	37	-1.0	-41.64	347.89	5.63	-36.01
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903024	0	43	-1.0	-48.94	379.60	4.92	-44.02
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903025	0	43	-1.0	-62.21	370.18	5.71	-56.50
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010903026	0	31	-1.0	-43.52	285.09	3.90	-39.62
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010903027	0	34	-1.0	-49.07	317.22	5.69	-43.38
CCC(CNS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010903028	0	34	-1.0	-48.91	310.81	4.76	-44.15
CCC(CNS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010903029	0	42	-1.0	-63.67	360.29	1.91	-61.76
CCC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903030	0	35	-1.0	-42.80	316.35	3.43	-39.37
CCC(CNS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010903031	0	46	-1.0	-53.73	350.08	6.61	-47.12
CCC(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010903032	0	40	-1.0	-52.35	334.13	3.51	-48.84
CCC(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903033	0	36	-1.0	-55.10	320.44	4.78	-50.32
CCC(CNS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010903034	0	28	-1.0	-48.69	284.90	3.29	-45.40
CCC(CNS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010903035	0	37	-1.0	-46.61	331.55	5.96	-40.65
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010903036	0	35	-1.0	-56.57	318.03	4.03	-52.54
CCC(CNS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010903037	0	49	-1.0	-50.29	373.63	7.39	-42.90
CCC(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010903038	0	47	-1.0	-47.46	377.47	7.41	-40.05
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010903039	0	34	-1.0	-45.49	314.37	4.59	-40.90
CCC(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010903040	0	41	-1.0	-52.09	334.02	6.06	-46.03
CCC(CNS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010903041	0	39	-1.0	-57.32	321.28	2.68	-54.64
CCC(CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010903042	0	39	-1.0	-52.35	330.03	2.78	-49.57
CCC(CNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903043	0	41	-1.0	-48.10	367.61	3.22	-44.88
CCC(CNS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010903044	0	38	-1.0	-54.86	345.89	1.74	-53.12
CCC(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010903045	0	39	-1.0	-46.40	324.86	6.04	-40.36
CCC(CNS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010903046	0	41	-1.0	-55.07	343.23	3.25	-51.82
CCC(CNS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010903047	0	28	-1.0	-47.15	283.73	3.29	-43.86
CCC(CNS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010903048	0	46	-1.0	-51.60	374.75	7.08	-44.52
CCC(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010903049	0	37	-1.0	-55.44	312.34	5.93	-49.51
CCC(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010903050	0	41	-1.0	-47.11	344.57	7.04	-40.07
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010903051	0	34	-1.0	-42.40	310.49	4.66	-37.74
CCC(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903052	0	31	-1.0	-44.28	314.46	5.35	-38.93
CCC(CNS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010903053	0	46	-1.0	-53.52	366.65	6.37	-47.15
CCC(CNS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300010903054	0	34	-1.0	-53.14	311.69	4.69	-48.45
CCC(CNS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010903055	0	31	-1.0	-43.46	294.61	3.78	-39.68
CCC(CNS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010903056	1	31	-1.0	-47.62	296.56	3.99	-43.63
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010903057	0	34	-1.0	-51.73	308.31	4.32	-47.41
CCC(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010903058	0	31	-1.0	-47.70	296.58	3.99	-43.71
CCC(CNS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010903059	0	31	-1.0	-47.88	282.28	3.44	-44.44
CCC(CNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903060	0	34	-1.0	-50.65	320.56	4.65	-46.00
CCC(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010903061	0	36	-1.0	-63.52	308.44	4.70	-58.82
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010903062	0	34	-1.0	-49.23	306.89	5.25	-43.98
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010903063	0	42	-1.0	-54.76	381.72	6.98	-47.78
CCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010903064	0	31	-1.0	-55.75	290.68	3.84	-51.91
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010903065	0	31	-1.0	-42.73	292.80	4.43	-38.30
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010903066	0	37	-1.0	-47.16	324.36	4.10	-43.06
CCC(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300010903067	0	35	-1.0	-53.75	311.94	2.96	-50.79
CCC(CNS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010903068	1	31	-1.0	-44.06	285.30	3.97	-40.09
CCC(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010903069	0	31	-1.0	-50.20	303.24	4.25	-45.95
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010903070	0	46	-1.0	-46.11	388.72	5.81	-40.30
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010903071	0	38	-1.0	-53.16	341.19	3.09	-50.07
CCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010903072	0	47	-1.0	-55.84	385.34	6.85	-48.99
CCC(CNS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010903073	0	34	-1.0	-55.73	316.96	5.41	-50.32
CCC(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010903074	0	34	-1.0	-46.55	331.29	5.27	-41.28
CCC(CNS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010903075	0	41	-1.0	-56.40	345.55	5.29	-51.11
CCC(CNS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010903076	0	38	-1.0	-54.07	326.83	1.04	-53.03
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010903077	0	39	-1.0	-54.29	333.12	0.95	-53.34
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010903078	0	36	-1.0	-44.27	318.53	5.16	-39.11
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010903079	0	38	-1.0	-55.44	324.98	2.29	-53.15
CCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010903080	0	36	-1.0	-50.63	309.38	4.90	-45.73
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903081	0	37	-1.0	-46.78	347.12	4.76	-42.02
CCC(CNS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010903082	0	30	-1.0	-53.19	290.64	2.48	-50.71
CCC(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010903083	0	40	-1.0	-66.95	361.24	1.79	-65.16
CCC(CNS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010903084	0	38	-1.0	-58.79	333.03	2.58	-56.21
CCC(CNS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010903085	0	45	-1.0	-66.56	362.92	5.16	-61.40
CCC(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010903086	0	36	-1.0	-58.06	324.60	-0.37	-58.43
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010903087	0	41	-1.0	-51.80	331.72	4.40	-47.40
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010903088	0	31	-1.0	-52.97	299.11	4.40	-48.57
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010903089	0	42	-1.0	-45.79	353.41	3.12	-42.67
CCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010903090	0	34	-1.0	-57.94	321.27	4.92	-53.02
CCC(CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010903091	0	31	-1.0	-47.58	307.44	4.65	-42.93
CCC(CNS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300010903092	0	44	-1.0	-62.71	379.61	3.38	-59.33
CCC(CNS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010903093	0	45	-1.0	-62.90	378.64	2.42	-60.48
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903094	0	39	-1.0	-54.44	331.22	6.04	-48.40
CCC(CNS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300010903095	0	43	-1.0	-51.60	352.46	6.26	-45.34
CCC(CNS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010903096	0	41	-1.0	-51.90	347.85	4.08	-47.82
CCC(CNS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300010903097	0	43	-1.0	-46.29	349.53	0.78	-45.51
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300010903098	0	34	-1.0	-50.96	303.57	4.90	-46.06
CCC(CNS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010903099	0	47	-1.0	-45.10	382.31	5.96	-39.14
CCC(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010903100	0	45	-1.0	-53.08	370.87	5.81	-47.27
CCC(CNS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010903101	0	44	-1.0	-47.48	368.58	5.32	-42.16
CCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903102	0	41	-1.0	-45.23	343.24	4.66	-40.57
CCC(CNS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010903103	0	35	-1.0	-53.35	321.75	3.44	-49.91
CCC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010903104	0	35	-1.0	-50.82	326.59	3.70	-47.12
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300010903105	0	38	-1.0	-51.69	320.87	3.61	-48.08
CCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010903106	0	44	-1.0	-53.66	365.59	5.18	-48.48
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300010903107	0	38	-1.0	-47.66	319.77	3.81	-43.85
CCC(CNS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010903108	0	42	-1.0	-50.30	360.61	3.10	-47.20
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903109	0	42	-1.0	-59.70	362.06	3.24	-56.46
CCC(CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010903110	0	46	-1.0	-54.02	377.40	3.08	-50.94
CCC(CNS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010903111	0	34	-1.0	-49.41	313.49	5.01	-44.40
CCC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010903112	0	37	-1.0	-62.03	338.59	1.17	-60.86
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903113	0	37	-1.0	-59.50	337.15	5.60	-53.90
CCC(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010903114	0	36	-1.0	-53.28	312.27	3.96	-49.32
CCC(CNS(=O)(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903115	0	37	-1.0	-46.72	351.69	4.87	-41.85
CCC(CNS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010903116	0	35	-1.0	-48.01	313.27	4.06	-43.95
CCC(CNS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010903117	0	32	-1.0	-46.61	294.63	3.75	-42.86
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010903118	0	35	-1.0	-43.83	312.94	4.37	-39.46
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903119	0	48	-1.0	-52.02	413.63	2.78	-49.24
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903120	0	41	-1.0	-53.70	353.39	4.27	-49.43
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010903121	0	40	-1.0	-52.87	347.04	4.78	-48.09
CCC(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010903122	0	41	-1.0	-54.50	340.80	-0.81	-55.31
CCC(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010903123	0	40	-1.0	-59.58	339.97	3.64	-55.94
CCC(CNS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010903124	0	40	-1.0	-49.77	343.31	4.95	-44.82
CCC(CNS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300010903125	0	40	-1.0	-51.32	335.04	3.54	-47.78
CCC(CNS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010903126	0	40	-1.0	-58.01	335.88	4.54	-53.47
CCC(CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010903127	0	43	-1.0	-46.02	322.73	6.18	-39.84
CCC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010903128	0	44	-1.0	-57.12	375.53	6.52	-50.60
CCC(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010903129	0	39	-1.0	-62.14	337.77	2.98	-59.16
CCC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010903131	0	38	-1.0	-53.39	340.57	4.88	-48.51
CCC(CNS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903132	0	37	-1.0	-53.99	331.76	4.04	-49.95
CCC(CNS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010903133	0	35	-1.0	-51.96	316.90	3.44	-48.52
CCC(CNS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010903134	0	41	-1.0	-42.49	362.96	5.71	-36.78
CCC(CNS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903135	0	34	-1.0	-46.69	320.41	2.56	-44.13
CCC(CNS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010903136	0	31	-1.0	-49.33	301.67	4.13	-45.20
CCC(CNS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903137	0	35	-1.0	-55.04	314.71	1.91	-53.13
CCC(CNS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010903138	0	32	-1.0	-51.57	312.43	4.39	-47.18
CCC(CNS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010903139	0	39	-1.0	-61.61	327.41	6.34	-55.27
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010903140	0	37	-1.0	-57.24	332.60	4.30	-52.94
CCC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010903141	0	40	-1.0	-60.32	346.75	2.02	-58.30
CCC(CNS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010903142	0	35	-1.0	-47.01	311.19	5.43	-41.58
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010903143	0	32	-1.0	-49.96	307.54	4.38	-45.58
CCC(CNS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010903144	0	47	-1.0	-53.09	387.84	5.37	-47.72
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010903145	0	42	-1.0	-62.46	364.29	3.56	-58.90
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010903146	0	43	-1.0	-49.96	379.39	1.47	-48.49
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300010903147	0	39	-1.0	-50.47	346.99	-0.20	-50.67
CCC(CNS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300010903148	0	41	-1.0	-60.25	367.39	2.51	-57.74
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010903149	0	34	-1.0	-44.36	309.64	2.41	-41.95
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010903150	0	37	-1.0	-50.22	329.19	3.03	-47.19
CCC(CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903151	1	33	-1.0	-52.48	291.66	4.98	-47.50
CCC(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010903152	0	34	-1.0	-43.81	327.62	5.35	-38.46
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C(C)N1	REAL300010903153	0	44	-1.0	-52.23	367.31	4.25	-47.98
CCC(CNS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010903154	0	31	-1.0	-50.80	292.46	4.42	-46.38
CCC(CNS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010903155	0	37	-1.0	-54.25	355.67	4.14	-50.11
CCC(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010903156	0	51	-1.0	-50.74	405.87	7.19	-43.55
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010903157	0	41	-1.0	-57.50	368.56	3.15	-54.35
CCC(CNS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010903158	0	31	-1.0	-50.24	299.10	4.66	-45.58
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010903159	0	40	-1.0	-56.71	341.58	5.02	-51.69
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903160	0	33	-1.0	-52.24	303.90	5.61	-46.63
CCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010903161	0	39	-1.0	-55.12	333.17	2.55	-52.57
CCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010903162	0	42	-1.0	-53.06	344.78	3.69	-49.37
CCC(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903163	1	33	-1.0	-52.40	321.74	6.32	-46.08
CCC(CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010903164	0	34	-1.0	-54.48	310.83	4.48	-50.00
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010903165	0	32	-1.0	-44.26	280.62	3.43	-40.83
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010903166	0	32	-1.0	-44.22	290.96	3.89	-40.33
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C=C1Br)C(=O)[O-]	REAL300010903167	0	37	-1.0	-49.83	346.77	4.99	-44.84
CCC(CNS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010903168	0	34	-1.0	-53.10	315.72	4.78	-48.32
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010903169	0	35	-1.0	-47.96	327.73	1.18	-46.78
CCC(CNS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010903170	0	37	-1.0	-53.91	334.96	2.37	-51.54
CCC(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010903171	0	37	-1.0	-53.04	331.60	6.36	-46.68
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010903172	0	36	-1.0	-48.89	328.73	5.84	-43.05
CCC(CNS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010903173	0	31	-1.0	-42.21	303.29	3.94	-38.27
CCC(CNS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903174	0	36	-1.0	-41.57	334.26	5.42	-36.15
CCC(CNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903175	0	37	-1.0	-44.22	335.72	4.36	-39.86
CCC(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010903176	0	49	-1.0	-53.45	363.36	5.27	-48.18
CCC(CNS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010903177	0	39	-1.0	-64.15	329.47	5.25	-58.90
CCC(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010903178	0	42	-1.0	-49.37	352.77	2.14	-47.23
CCC(CNS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010903179	0	34	-1.0	-55.43	310.90	4.90	-50.53
CCC(CNS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010903180	0	37	-1.0	-57.01	330.03	4.71	-52.30
CCC(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010903181	0	39	-1.0	-49.53	333.66	1.34	-48.19
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010903182	0	37	-1.0	-51.79	331.75	4.33	-47.46
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010903183	0	37	-1.0	-51.33	325.91	5.40	-45.93
CCC(CNS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300010903184	0	38	-1.0	-46.10	329.84	1.24	-44.86
CCC(CNS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903185	0	37	-1.0	-49.55	342.37	4.70	-44.85
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C2=CC=CC=C12	REAL300010903186	0	44	-1.0	-56.06	367.42	6.22	-49.84
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903187	0	41	-1.0	-56.71	335.09	4.99	-51.72
CCC(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010903188	0	36	-1.0	-62.46	319.58	3.75	-58.71
CCC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010903189	0	38	-1.0	-48.17	330.66	4.74	-43.43
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010903190	0	45	-1.0	-51.63	393.82	5.69	-45.94
CCC(CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903191	0	33	-1.0	-50.30	315.71	4.69	-45.61
CCC(CNS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010903192	0	32	-1.0	-61.22	287.71	3.37	-57.85
CCOCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903193	0	45	-1.0	-48.17	377.21	4.10	-44.07
CCCCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903194	0	47	-1.0	-47.41	391.48	6.19	-41.22
CCC(CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903195	0	33	-1.0	-52.69	305.39	5.50	-47.19
CCC(CNS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903196	0	37	-1.0	-50.81	330.64	4.25	-46.56
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903197	0	37	-1.0	-50.68	345.12	4.68	-46.00
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010903198	0	41	-1.0	-59.47	346.48	4.04	-55.43
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010903199	0	34	-1.0	-55.27	324.27	3.25	-52.02
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010903200	0	43	-1.0	-48.28	361.92	5.67	-42.61
CCC(CNS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903201	0	40	-1.0	-54.00	347.05	4.77	-49.23
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010903202	0	37	-1.0	-58.47	329.22	3.99	-54.48
CCC(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010903203	0	41	-1.0	-48.92	331.27	6.29	-42.63
CCC(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010903204	0	37	-1.0	-51.73	323.99	5.41	-46.32
CCC(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010903205	0	30	-1.0	-49.95	292.54	2.38	-47.57
CCC(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903206	0	35	-1.0	-45.12	331.98	5.06	-40.06
CCC(CNS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010903207	0	45	-1.0	-55.57	396.70	2.01	-53.56
CCC(CNS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010903208	0	31	-1.0	-47.83	298.32	4.24	-43.59
CCC(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010903209	0	38	-1.0	-62.89	334.72	1.48	-61.41
CCC(CNS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010903210	0	34	-1.0	-49.66	304.74	4.88	-44.78
CCC(CNS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010903211	0	35	-1.0	-48.79	321.23	3.54	-45.25
CCC(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010903212	0	42	-1.0	-46.71	347.56	4.87	-41.84
CCC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010903213	0	39	-1.0	-54.85	350.27	0.35	-54.50
CCC(=O)NCC1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C1OC	REAL300010903214	0	48	-1.0	-58.89	407.14	2.75	-56.14
CCC(CNS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010903215	0	35	-1.0	-55.71	322.18	3.63	-52.08
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010903216	0	40	-1.0	-60.20	353.47	1.99	-58.21
CCC(CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010903217	0	33	-1.0	-46.28	323.89	3.51	-42.77
CCC(CNS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010903218	0	36	-1.0	-62.14	320.58	4.13	-58.01
CCC(CNS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010903219	0	32	-1.0	-45.64	317.74	4.61	-41.03
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1Br	REAL300010903220	0	38	-1.0	-50.52	343.07	4.47	-46.05
CCC(CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010903221	0	36	-1.0	-49.84	321.98	-0.96	-50.80
CCC(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010903222	0	45	-1.0	-46.69	383.08	5.57	-41.12
CCC(CNS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010903223	0	40	-1.0	-54.70	336.45	4.10	-50.60
CCC(CNS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010903224	0	36	-1.0	-54.54	332.59	3.72	-50.82
CCC(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010903225	0	39	-1.0	-62.06	334.94	4.83	-57.23
CCC(CNS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1)C(=O)[O-]	REAL300010903226	0	47	-1.0	-55.16	406.84	2.30	-52.86
CCC(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010903227	0	37	-1.0	-62.94	315.26	0.03	-62.91
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010903228	0	41	-1.0	-48.12	350.34	4.53	-43.59
CCC(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010903229	0	36	-1.0	-48.07	318.65	3.81	-44.26
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(C)=C1	REAL300010903230	0	41	-1.0	-44.86	336.01	4.74	-40.12
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300010903231	0	39	-1.0	-56.14	347.93	-0.27	-56.41
CCC(CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010903232	0	40	-1.0	-57.57	343.13	5.16	-52.41
CCC(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010903233	0	35	-1.0	-49.31	300.38	3.72	-45.59
CCC(CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300010903234	0	35	-1.0	-48.32	315.80	4.62	-43.70
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903235	0	43	-1.0	-48.22	373.73	5.98	-42.24
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010903236	0	37	-1.0	-52.10	332.23	3.48	-48.62
CCC(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903237	0	37	-1.0	-45.49	333.20	5.36	-40.13
CCC(CNS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010903238	0	42	-1.0	-47.72	345.53	5.37	-42.35
CCC(CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010903239	0	30	-1.0	-43.55	283.83	2.23	-41.32
CCC(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010903240	0	37	-1.0	-57.85	310.66	3.14	-54.71
CCC(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010903241	0	36	-1.0	-55.18	312.36	4.05	-51.13
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010903242	0	34	-1.0	-50.84	308.14	5.00	-45.84
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010903243	0	39	-1.0	-55.96	336.05	2.77	-53.19
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010903244	0	47	-1.0	-54.14	390.73	4.53	-49.61
CCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300010903245	0	39	-1.0	-53.37	351.38	3.54	-49.83
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1OCC	REAL300010903246	0	45	-1.0	-54.27	378.66	4.63	-49.64
CCC(CNS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010903247	0	37	-1.0	-61.05	322.19	2.62	-58.43
CCC(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010903248	0	36	-1.0	-53.28	329.85	-1.44	-54.72
CCC(CNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010903249	0	42	-1.0	-51.38	348.10	4.74	-46.64
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010903250	0	45	-1.0	-59.13	364.38	5.19	-53.94
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010903251	0	39	-1.0	-44.42	335.51	5.70	-38.72
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010903252	0	37	-1.0	-48.71	330.37	4.26	-44.45
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010903253	0	42	-1.0	-58.16	354.52	4.62	-53.54
CCC(CNS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010903254	0	38	-1.0	-52.99	332.04	1.88	-51.11
CCC(CNS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010903255	0	35	-1.0	-50.72	304.89	0.41	-50.31
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010903256	0	45	-1.0	-55.84	364.42	5.19	-50.65
CCC(CNS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010903257	0	34	-1.0	-52.32	308.81	4.01	-48.31
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010903258	0	34	-1.0	-49.79	319.15	3.33	-46.46
CCC(CNS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903259	0	35	-1.0	-52.18	332.88	4.77	-47.41
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903260	0	37	-1.0	-65.56	328.20	2.14	-63.42
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010903261	0	37	-1.0	-55.67	327.86	0.57	-55.10
CCC(CNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010903262	0	37	-1.0	-52.85	322.04	0.80	-52.05
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010903263	0	37	-1.0	-54.63	328.55	0.88	-53.75
CCC(CNS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010903264	0	39	-1.0	-63.11	329.79	5.34	-57.77
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903265	0	37	-1.0	-59.09	322.49	4.38	-54.71
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010903266	0	35	-1.0	-46.12	307.34	3.97	-42.15
CCC(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010903267	0	35	-1.0	-46.20	307.14	3.93	-42.27
CCC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010903268	0	36	-1.0	-57.16	325.49	-1.47	-58.63
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903269	0	37	-1.0	-57.91	331.02	4.24	-53.67
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010903270	0	43	-1.0	-59.00	385.24	1.43	-57.57
CCC(CNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010903271	0	36	-1.0	-57.38	323.28	4.96	-52.42
CCC(CNS(=O)(=O)C1=CC=C(C)C=C1Cl)C(=O)[O-]	REAL300010903272	0	34	-1.0	-48.26	298.69	4.33	-43.93
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010903273	0	37	-1.0	-59.00	331.73	-0.03	-59.03
CCC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010903274	0	37	-1.0	-54.00	331.08	1.16	-52.84
CCC(CNS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010903275	0	38	-1.0	-44.60	335.73	2.88	-41.72
CCC(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010903276	0	39	-1.0	-56.56	344.01	5.17	-51.39
CCC(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010903277	0	40	-1.0	-53.09	328.86	4.73	-48.36
CCC(CNS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010903278	0	39	-1.0	-53.07	327.56	4.87	-48.20
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010903279	0	37	-1.0	-49.33	329.74	3.56	-45.77
CCC(CNS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010903280	0	36	-1.0	-52.45	319.00	5.07	-47.38
CCC(CNS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903281	0	39	-1.0	-58.56	327.84	6.29	-52.27
CCOC(=O)C1CCCN(S(=O)(=O)NCC(CC)C(=O)[O-])C1	REAL300010903282	0	45	-1.0	-51.15	370.18	4.32	-46.83
CCC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010903283	0	35	-1.0	-51.72	322.22	3.38	-48.34
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010903284	0	42	-1.0	-58.41	371.82	1.58	-56.83
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010903285	0	31	-1.0	-42.76	278.16	3.74	-39.02
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903286	0	33	-1.0	-55.59	305.54	5.56	-50.03
CCC(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010903287	0	43	-1.0	-63.10	362.16	2.93	-60.17
CCC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010903288	0	41	-1.0	-52.86	326.83	6.67	-46.19
CCOC(=O)C1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903289	0	40	-1.0	-57.54	352.88	5.17	-52.37
CCOC(=O)N1CCC(S(=O)(=O)NCC(CC)C(=O)[O-])CC1	REAL300010903290	0	45	-1.0	-56.75	363.88	3.51	-53.24
CCC(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010903291	0	31	-1.0	-43.33	291.66	4.26	-39.07
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010903292	0	33	-1.0	-43.32	298.61	4.30	-39.02
CCC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010903293	0	37	-1.0	-55.17	322.18	5.86	-49.31
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010903294	0	38	-1.0	-53.03	326.43	2.51	-50.52
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010903295	0	36	-1.0	-56.86	319.19	5.17	-51.69
CCC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903296	0	33	-1.0	-61.13	293.02	5.08	-56.05
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903297	0	38	-1.0	-56.86	339.89	4.96	-51.90
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903298	0	38	-1.0	-46.17	321.73	3.86	-42.31
CCC(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010903299	0	37	-1.0	-55.36	320.71	2.74	-52.62
CCC(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010903300	0	46	-1.0	-55.25	367.18	6.82	-48.43
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010903301	0	31	-1.0	-47.69	303.23	4.55	-43.14
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010903302	0	31	-1.0	-52.83	294.62	4.16	-48.67
CCC(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903303	0	34	-1.0	-50.72	310.38	4.58	-46.14
CCC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010903304	0	34	-1.0	-49.75	290.71	5.04	-44.71
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903305	0	34	-1.0	-50.42	328.13	5.00	-45.42
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010903306	0	34	-1.0	-50.37	311.71	4.62	-45.75
CCC(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010903307	0	31	-1.0	-47.87	293.90	4.14	-43.73
CCC(CNS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010903308	0	40	-1.0	-55.23	347.70	2.64	-52.59
CCC(CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010903309	0	30	-1.0	-45.66	298.37	2.65	-43.01
CCC(CNS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010903310	0	35	-1.0	-53.41	302.44	2.92	-50.49
CCC(CNS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010903311	0	40	-1.0	-55.10	357.40	6.28	-48.82
CCC(CNS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010903312	0	40	-1.0	-57.53	348.24	5.02	-52.51
CCC(CNS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010903313	0	41	-1.0	-49.64	352.06	5.41	-44.23
CCC(CNS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010903314	0	42	-1.0	-57.53	350.60	4.74	-52.79
CCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010903315	0	32	-1.0	-60.07	297.20	3.75	-56.32
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010903316	0	45	-1.0	-56.62	374.92	3.82	-52.80
CCC(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010903317	0	39	-1.0	-52.56	350.00	4.70	-47.86
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010903318	0	36	-1.0	-47.95	315.53	4.75	-43.20
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010903319	0	45	-1.0	-42.27	384.74	6.21	-36.06
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010903320	0	34	-1.0	-51.24	315.50	2.34	-48.90
CCC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010903321	0	42	-1.0	-53.74	363.35	4.36	-49.38
CCC(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010903322	0	33	-1.0	-46.65	302.09	3.10	-43.55
CCC(CNS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010903323	0	41	-1.0	-51.75	337.03	3.83	-47.92
CCC(CNS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010903324	0	41	-1.0	-64.66	345.90	3.37	-61.29
CCC(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010903325	0	43	-1.0	-53.00	345.52	4.12	-48.88
CCC(CNS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010903326	0	33	-1.0	-50.49	306.87	2.80	-47.69
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010903327	0	37	-1.0	-53.73	322.69	2.63	-51.10
CCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010903328	0	40	-1.0	-53.70	349.21	5.23	-48.47
CCC(CNS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010903329	0	39	-1.0	-48.55	329.07	2.23	-46.32
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010903330	0	37	-1.0	-55.46	318.37	4.96	-50.50
CCC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1CC	REAL300010903331	0	43	-1.0	-51.91	348.37	6.13	-45.78
CCC(CNS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010903332	0	39	-1.0	-45.75	322.21	5.58	-40.17
CCC(CNS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903333	0	37	-1.0	-54.37	335.01	3.12	-51.25
CCC(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010903334	0	32	-1.0	-48.01	293.50	1.44	-46.57
CCC(CNS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010903335	0	33	-1.0	-52.99	302.43	2.46	-50.53
CCC(CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010903336	0	37	-1.0	-46.15	322.64	4.94	-41.21
CCC(CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010903337	0	39	-1.0	-61.27	330.89	2.03	-59.24
CCC(CNS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903338	0	38	-1.0	-58.34	337.40	3.68	-54.66
CCC(CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010903339	0	31	-1.0	-41.90	293.23	4.21	-37.69
CCC(CNS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010903340	0	42	-1.0	-50.64	358.08	5.43	-45.21
CCC(CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010903341	0	34	-1.0	-44.29	316.74	4.90	-39.39
CCC(CNS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010903342	0	36	-1.0	-54.11	313.26	-0.27	-54.38
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010903343	0	34	-1.0	-44.50	307.03	5.01	-39.49
CCOC(=O)C1CCCN1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903344	0	42	-1.0	-56.71	351.02	3.99	-52.72
CCC(CNS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010903345	0	39	-1.0	-54.19	335.19	1.22	-52.97
CCC(CNS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010903346	0	41	-1.0	-50.57	326.86	4.36	-46.21
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010903347	0	39	-1.0	-55.60	332.75	2.81	-52.79
CCC(CNS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010903348	0	40	-1.0	-60.95	354.79	4.97	-55.98
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010903349	0	42	-1.0	-56.10	351.73	3.72	-52.38
CCC(CNS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903350	0	40	-1.0	-49.37	348.96	5.00	-44.37
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])O1	REAL300010903351	0	37	-1.0	-44.16	331.50	3.34	-40.82
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010903352	0	42	-1.0	-48.16	354.31	7.74	-40.42
CCC(CNS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010903353	0	41	-1.0	-51.91	361.49	4.52	-47.39
CCC(CNS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010903354	0	44	-1.0	-49.21	377.21	4.71	-44.50
CCC(CNS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010903355	0	41	-1.0	-51.72	336.40	4.40	-47.32
CCC(CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010903356	0	35	-1.0	-57.34	313.98	3.97	-53.37
CCC(CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010903357	0	34	-1.0	-51.50	313.33	5.74	-45.76
CCC(CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903358	0	33	-1.0	-55.48	314.43	5.71	-49.77
CCC(CNS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903359	0	36	-1.0	-57.36	306.05	6.07	-51.29
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010903360	0	33	-1.0	-42.29	314.64	5.03	-37.26
CCC(CNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010903361	0	28	-1.0	-45.43	283.77	3.02	-42.41
CCC(CNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010903362	0	35	-1.0	-51.12	309.14	3.94	-47.18
CCC(CNS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010903363	0	39	-1.0	-53.96	322.17	4.77	-49.19
CCC(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010903364	0	33	-1.0	-48.98	311.08	2.94	-46.04
CCC(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010903365	0	39	-1.0	-57.37	334.27	2.53	-54.84
CCC(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010903366	0	36	-1.0	-55.78	307.64	4.14	-51.64
CCC(CNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010903367	0	30	-1.0	-47.32	289.51	2.35	-44.97
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010903368	0	33	-1.0	-44.94	302.10	4.03	-40.91
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010903369	0	33	-1.0	-49.65	320.62	4.71	-44.94
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903370	0	40	-1.0	-52.69	349.06	2.17	-50.52
CCC(CNS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903371	0	36	-1.0	-61.62	325.63	4.48	-57.14
CCC(CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903372	0	33	-1.0	-58.51	304.49	4.94	-53.57
CCC(CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903373	0	33	-1.0	-43.74	304.71	4.36	-39.38
CCC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903374	0	38	-1.0	-47.18	341.30	4.32	-42.86
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903375	0	33	-1.0	-55.27	310.11	5.67	-49.60
CCC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010903376	0	45	-1.0	-54.52	387.48	6.86	-47.66
CCC(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010903377	0	46	-1.0	-53.67	349.68	5.98	-47.69
CCC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010903378	0	39	-1.0	-55.66	347.41	0.07	-55.59
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903379	0	39	-1.0	-61.91	339.31	4.85	-57.06
CCOC(=O)N1CCN(S(=O)(=O)NCC(CC)C(=O)[O-])CC1	REAL300010903380	0	44	-1.0	-49.01	361.21	2.34	-46.67
CCC(CNS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010903381	0	40	-1.0	-54.21	350.37	4.81	-49.40
CCC(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010903382	0	41	-1.0	-50.09	356.07	5.18	-44.91
CCC(CNS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010903383	0	53	-1.0	-43.84	404.12	6.45	-37.39
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010903384	0	37	-1.0	-57.73	347.43	4.99	-52.74
CCC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010903385	0	39	-1.0	-55.40	352.70	0.22	-55.18
CCC(CNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010903386	0	37	-1.0	-58.67	336.40	1.12	-57.55
CCC(CNS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010903387	0	34	-1.0	-49.85	296.28	4.02	-45.83
CCC(CNS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010903388	0	38	-1.0	-56.73	336.20	4.59	-52.14
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010903389	0	43	-1.0	-50.24	366.34	5.13	-45.11
CCC(CNS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010903390	0	41	-1.0	-57.74	360.84	5.62	-52.12
CCC(CNS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010903391	0	38	-1.0	-56.82	349.75	2.52	-54.30
CCC(CNS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010903392	0	38	-1.0	-53.01	334.22	-1.62	-54.63
CCC(CNS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010903393	0	34	-1.0	-51.49	296.28	4.03	-47.46
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010903394	0	36	-1.0	-50.83	317.23	4.81	-46.02
CCC(CNS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010903395	0	37	-1.0	-52.82	329.99	4.85	-47.97
CCC(CNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010903396	0	28	-1.0	-49.46	293.29	3.41	-46.05
CCC(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010903397	0	43	-1.0	-48.01	364.11	5.62	-42.39
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010903398	0	31	-1.0	-51.56	290.87	3.94	-47.62
CCC(CNS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903399	0	37	-1.0	-51.06	325.72	5.09	-45.97
CCC(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010903400	0	37	-1.0	-47.73	348.44	4.34	-43.39
CCC(CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010903401	0	39	-1.0	-48.38	336.40	3.35	-45.03
CCC(CNS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010903402	0	38	-1.0	-47.75	339.04	4.24	-43.51
CCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010903403	0	34	-1.0	-46.87	325.99	4.96	-41.91
CCC(CNS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010903404	0	35	-1.0	-51.34	315.37	0.58	-50.76
CCC(CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010903405	0	40	-1.0	-56.17	357.75	6.43	-49.74
CCC(CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010903406	0	33	-1.0	-48.98	311.08	2.94	-46.04
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010903407	0	33	-1.0	-54.05	320.93	5.01	-49.04
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903408	0	37	-1.0	-59.83	326.83	5.15	-54.68
CCC(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010903409	0	34	-1.0	-58.42	313.56	4.74	-53.68
CCC(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010903410	0	43	-1.0	-64.99	367.90	2.08	-62.91
CCC(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903411	0	38	-1.0	-55.66	341.06	4.08	-51.58
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010903412	0	31	-1.0	-50.24	294.26	4.24	-46.00
CCC(CNS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010903413	0	39	-1.0	-54.64	341.70	3.38	-51.26
CCC(CNS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010903414	0	39	-1.0	-49.81	340.98	1.00	-48.81
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C1F	REAL300010903415	0	40	-1.0	-53.20	357.43	5.19	-48.01
CCC(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010903416	0	39	-1.0	-58.88	338.04	4.22	-54.66
CCC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010903417	0	34	-1.0	-44.30	325.73	5.56	-38.74
CCC(CNS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010903418	0	37	-1.0	-53.38	340.06	6.33	-47.05
CCC(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010903419	0	34	-1.0	-54.48	318.98	4.98	-49.50
CCC(CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010903420	0	37	-1.0	-55.48	317.95	6.40	-49.08
CCC(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010903421	0	37	-1.0	-56.74	329.01	6.45	-50.29
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C2O1	REAL300010903422	0	45	-1.0	-49.77	383.58	5.86	-43.91
CCC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010903423	0	37	-1.0	-57.93	341.33	1.13	-56.80
CCC(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010903424	0	44	-1.0	-54.64	382.16	5.13	-49.51
CCC(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010903425	0	42	-1.0	-51.37	370.40	0.69	-50.68
CCC(CNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010903426	1	32	-1.0	-44.86	299.68	4.30	-40.56
CCC(CNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010903427	0	42	-1.0	-51.59	346.20	4.24	-47.35
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010903428	0	36	-1.0	-51.14	326.70	5.52	-45.62
CCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010903429	0	34	-1.0	-61.88	301.45	3.72	-58.16
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010903430	0	37	-1.0	-53.02	336.36	5.60	-47.42
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903431	0	43	-1.0	-51.23	349.44	4.08	-47.15
CCC(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010903432	0	37	-1.0	-58.76	332.00	1.09	-57.67
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010903433	0	47	-1.0	-57.03	390.99	1.24	-55.79
CCOC(=O)C1CCN(S(=O)(=O)NCC(CC)C(=O)[O-])CC1	REAL300010903434	0	45	-1.0	-55.69	365.90	4.33	-51.36
CCC(CNS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010903435	0	39	-1.0	-56.35	329.18	5.37	-50.98
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010903436	0	46	-1.0	-56.38	393.23	2.71	-53.67
CCC(=O)NC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903437	0	41	-1.0	-52.81	347.02	3.34	-49.47
CCC(CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010903438	0	34	-1.0	-49.07	321.42	4.85	-44.22
CCC(CNS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903439	0	32	-1.0	-62.89	290.54	4.29	-58.60
CCC(CNS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903440	0	40	-1.0	-60.66	339.86	5.36	-55.30
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010903441	0	31	-1.0	-53.06	284.29	3.71	-49.35
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903442	0	50	-1.0	-52.03	363.47	6.20	-45.83
CCC(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010903443	0	34	-1.0	-49.43	326.28	5.20	-44.23
CCC(CNS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010903444	0	38	-1.0	-54.49	339.40	2.85	-51.64
CCC(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010903445	0	39	-1.0	-48.72	332.67	4.21	-44.51
CCC(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010903446	0	35	-1.0	-49.97	318.46	3.48	-46.49
CCC(CNS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010903447	0	43	-1.0	-46.94	357.49	2.60	-44.34
CCC(CNS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903448	0	34	-1.0	-53.40	318.58	3.24	-50.16
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903449	0	40	-1.0	-57.08	354.54	6.06	-51.02
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010903450	0	42	-1.0	-49.24	381.01	6.95	-42.29
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010903451	0	40	-1.0	-56.12	340.75	4.91	-51.21
CCC(CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903452	0	33	-1.0	-43.73	319.60	4.92	-38.81
CCC(CNS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010903453	0	35	-1.0	-44.67	325.51	4.25	-40.42
CCC(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010903454	0	43	-1.0	-49.48	349.26	4.23	-45.25
CCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903455	0	33	-1.0	-55.17	304.44	4.26	-50.91
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010903456	0	45	-1.0	-48.56	385.71	7.12	-41.44
CCC(CNS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010903457	0	38	-1.0	-58.63	318.15	4.08	-54.55
CCC(CNS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010903458	0	45	-1.0	-49.93	396.99	2.60	-47.33
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010903459	0	34	-1.0	-45.79	301.84	1.12	-44.67
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010903460	0	39	-1.0	-47.44	333.39	4.08	-43.36
CCC(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010903461	0	31	-1.0	-43.18	298.15	4.73	-38.45
CCC(CNS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010903462	0	42	-1.0	-56.14	347.07	3.30	-52.84
CCC(CNS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010903463	0	41	-1.0	-46.46	343.67	4.51	-41.95
CCC(CNS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903464	0	40	-1.0	-57.36	366.65	4.80	-52.56
CCC(CNS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010903465	0	38	-1.0	-53.55	326.37	3.29	-50.26
CCC(CNS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010903466	0	31	-1.0	-54.36	308.31	3.68	-50.68
CCC(CNS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010903467	0	40	-1.0	-59.63	350.03	5.42	-54.21
CCC(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010903468	0	37	-1.0	-52.09	336.52	4.29	-47.80
CCC(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010903469	0	37	-1.0	-47.58	358.77	4.79	-42.79
CCC(CNS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010903470	0	34	-1.0	-46.38	309.32	1.82	-44.56
CCC(CNS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010903471	0	36	-1.0	-50.99	319.26	1.26	-49.73
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903472	0	43	-1.0	-47.12	332.62	6.75	-40.37
CCC(CNS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010903474	0	31	-1.0	-52.31	301.28	3.78	-48.53
CCC(CNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010903475	0	36	-1.0	-55.75	332.12	4.15	-51.60
CCC(CNS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010903476	1	30	-1.0	-50.24	304.58	1.81	-48.43
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010903477	0	36	-1.0	-51.43	318.76	5.18	-46.25
CCC(CNS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010903478	0	35	-1.0	-52.38	329.00	2.45	-49.93
CCC(CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903479	0	36	-1.0	-65.85	318.04	5.36	-60.49
CCC(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903480	0	39	-1.0	-62.40	336.22	5.46	-56.94
CCC(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010903481	0	39	-1.0	-48.26	343.86	5.81	-42.45
CCC(CNS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010903482	0	36	-1.0	-48.67	335.08	3.46	-45.21
CCCCCCN1C=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(=O)NC1=O	REAL300010903483	0	49	-1.0	-51.49	406.60	4.21	-47.28
CCC(CNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010903485	0	34	-1.0	-51.87	310.01	4.37	-47.50
CCC(CNS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010903486	0	42	-1.0	-49.09	355.74	5.53	-43.56
CCC(CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010903487	0	35	-1.0	-50.99	325.55	4.72	-46.27
CCC(CNS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903488	0	36	-1.0	-47.13	323.15	4.95	-42.18
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010903489	0	37	-1.0	-53.03	326.04	5.16	-47.87
CCC(CNS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010903490	0	46	-1.0	-55.90	390.93	1.06	-54.84
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010903491	1	46	-1.0	-58.66	395.76	0.56	-58.10
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1F	REAL300010903492	0	45	-1.0	-53.51	393.23	2.03	-51.48
CCC(CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010903493	0	45	-1.0	-55.91	377.19	4.77	-51.14
CCC(CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010903494	0	34	-1.0	-70.24	313.45	3.44	-66.80
CCC(CNS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010903495	0	34	-1.0	-52.58	309.20	4.99	-47.59
CCC(CNS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010903496	0	34	-1.0	-53.11	294.38	4.29	-48.82
CCC(CNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010903497	0	34	-1.0	-44.53	305.87	4.45	-40.08
CCC(CNS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010903498	0	42	-1.0	-56.29	376.65	1.25	-55.04
CCC(CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010903499	0	30	-1.0	-45.04	287.78	3.00	-42.04
CCC(CNS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010903500	0	42	-1.0	-51.20	357.98	4.62	-46.58
CCC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010903501	0	34	-1.0	-45.76	332.82	5.37	-40.39
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010903502	0	39	-1.0	-72.47	348.38	1.71	-70.76
CCC(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010903503	0	31	-1.0	-41.43	302.31	5.08	-36.35
CCC(CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903504	0	30	-1.0	-41.54	284.07	2.31	-39.23
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010903505	0	36	-1.0	-47.30	326.35	2.43	-44.87
CCC(CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010903506	0	34	-1.0	-55.27	329.53	0.26	-55.01
CCC(CNS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010903507	0	50	-1.0	-59.48	426.14	4.55	-54.93
CCC(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010903508	0	39	-1.0	-52.01	325.01	4.20	-47.81
CCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010903509	0	41	-1.0	-48.16	344.90	4.45	-43.71
CCC(CNS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010903510	0	45	-1.0	-58.98	406.61	1.20	-57.78
CCC(CNS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010903511	0	38	-1.0	-52.56	326.38	3.30	-49.26
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010903512	0	40	-1.0	-61.23	365.46	3.52	-57.71
CCC(CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010903513	0	42	-1.0	-49.93	345.79	10.53	-39.40
CCC(CNS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010903514	0	34	-1.0	-53.71	291.71	4.22	-49.49
CCC(CNS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010903515	0	36	-1.0	-51.37	333.80	4.62	-46.75
CCC(CNS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010903516	0	42	-1.0	-55.95	380.92	2.54	-53.41
CCC(CNS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010903517	0	44	-1.0	-56.06	374.55	6.21	-49.85
CCC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010903518	0	35	-1.0	-53.25	334.39	5.05	-48.20
CCC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010903519	0	40	-1.0	-51.29	342.38	7.33	-43.96
CCC(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010903520	0	34	-1.0	-47.83	296.14	2.28	-45.55
CCC(CNS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010903521	0	39	-1.0	-61.36	319.71	5.10	-56.26
CCC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010903522	0	37	-1.0	-51.57	304.67	4.71	-46.86
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010903523	0	44	-1.0	-61.35	364.31	4.97	-56.38
CCC(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010903524	0	43	-1.0	-56.66	344.98	0.55	-56.11
CCC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010903525	0	37	-1.0	-46.54	344.23	1.69	-44.85
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903526	0	40	-1.0	-46.55	353.15	5.27	-41.28
CCC(CNS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010903527	0	38	-1.0	-48.31	321.95	3.72	-44.59
CCC1=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010903528	0	40	-1.0	-51.59	350.54	3.91	-47.68
CCC(CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010903529	0	48	-1.0	-52.07	390.75	5.49	-46.58
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903530	0	44	-1.0	-46.36	380.78	5.23	-41.13
CCC(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010903531	0	32	-1.0	-43.65	292.49	4.06	-39.59
CCC(CNS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010903532	0	35	-1.0	-50.80	318.81	4.07	-46.73
CCC(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010903533	0	38	-1.0	-51.20	315.87	3.65	-47.55
CCC(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010903534	0	36	-1.0	-59.63	318.41	3.63	-56.00
CCC(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010903535	0	51	-1.0	-51.05	399.72	5.33	-45.72
CCC(CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010903536	0	45	-1.0	-59.94	369.61	3.84	-56.10
CCC(CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010903537	0	42	-1.0	-58.06	369.60	4.30	-53.76
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=N1	REAL300010903538	0	37	-1.0	-45.45	319.13	1.25	-44.20
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010903539	0	33	-1.0	-45.21	310.35	2.83	-42.38
CCC(CNS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010903540	1	33	-1.0	-47.91	303.05	1.84	-46.07
CCC(CNS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903541	0	37	-1.0	-44.65	331.28	4.34	-40.31
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010915001	0	39	-1.0	-51.19	347.70	6.99	-44.20
CC1=NN2C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=NC2=C1Cl	REAL300010915002	0	36	-1.0	-53.69	336.79	4.80	-48.89
CCCCCCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(=O)NC1=O	REAL300010915003	0	49	-1.0	-61.17	408.74	5.54	-55.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010915004	0	31	-1.0	-44.84	300.28	5.21	-39.63
CN(CCCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010915005	0	34	-1.0	-58.84	310.39	5.67	-53.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(=C32)C=C1	REAL300010915006	0	42	-1.0	-56.93	355.77	6.55	-50.38
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010915007	0	35	-1.0	-50.38	324.13	5.96	-44.42
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010915008	0	36	-1.0	-52.51	329.55	6.19	-46.32
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915009	0	37	-1.0	-63.41	327.43	6.61	-56.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(OC)=C1	REAL300010915010	0	46	-1.0	-60.62	393.80	2.38	-58.24
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915011	1	46	-1.0	-58.05	385.85	2.03	-56.02
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915012	0	45	-1.0	-56.88	398.44	3.32	-53.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010915013	0	45	-1.0	-60.76	382.40	6.07	-54.69
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010915014	0	34	-1.0	-69.23	304.89	4.36	-64.87
CC1=CC=C(Br)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915015	0	34	-1.0	-52.19	303.89	5.78	-46.41
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915016	0	34	-1.0	-53.98	303.15	5.80	-48.18
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010915017	0	34	-1.0	-46.62	309.72	5.64	-40.98
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915018	0	42	-1.0	-57.13	376.94	2.53	-54.60
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010915019	0	30	-1.0	-54.20	292.19	4.20	-50.00
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C12	REAL300010915020	0	42	-1.0	-54.56	356.58	5.56	-49.00
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010915021	0	34	-1.0	-45.63	331.43	6.61	-39.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010915022	0	39	-1.0	-68.74	347.51	2.96	-65.78
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010915023	0	31	-1.0	-44.94	301.10	6.09	-38.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010915024	0	30	-1.0	-50.00	295.19	3.81	-46.19
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300010915025	0	36	-1.0	-53.93	327.25	3.70	-50.23
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010915026	0	34	-1.0	-57.30	338.78	1.80	-55.50
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010915027	0	50	-1.0	-61.65	431.35	5.84	-55.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010915028	0	39	-1.0	-49.02	328.09	5.42	-43.60
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915029	0	41	-1.0	-53.71	346.38	5.67	-48.04
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915030	0	45	-1.0	-61.01	411.82	2.49	-58.52
COCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915031	0	38	-1.0	-55.18	332.19	4.56	-50.62
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010915032	0	40	-1.0	-61.01	367.18	4.81	-56.20
CN(CCCC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010915033	0	42	-1.0	-55.40	333.86	10.62	-44.78
CC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1Cl	REAL300010915034	0	34	-1.0	-54.44	301.54	5.72	-48.72
CC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300010915035	0	36	-1.0	-53.04	334.09	5.90	-47.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010915036	0	42	-1.0	-49.90	379.72	3.73	-46.17
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300010915037	0	44	-1.0	-57.16	375.45	7.45	-49.71
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010915038	0	35	-1.0	-54.58	332.99	6.29	-48.29
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010915039	0	40	-1.0	-63.87	342.60	8.66	-55.21
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010915040	0	34	-1.0	-53.49	302.56	3.53	-49.96
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010915041	0	39	-1.0	-53.88	321.73	6.34	-47.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010915042	0	37	-1.0	-53.95	326.77	6.31	-47.64
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300010915043	0	44	-1.0	-63.14	363.43	5.85	-57.29
CN(CCCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300010915044	0	43	-1.0	-57.82	349.70	1.86	-55.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010915045	0	37	-1.0	-52.47	345.12	2.94	-49.53
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915046	0	40	-1.0	-53.21	359.57	6.51	-46.70
COCC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915047	0	38	-1.0	-55.73	324.90	5.12	-50.61
CCC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010915048	0	40	-1.0	-52.90	357.41	5.19	-47.71
CN(CCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010915049	0	48	-1.0	-60.75	387.90	6.71	-54.04
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915050	0	44	-1.0	-53.72	384.09	6.55	-47.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010915051	0	32	-1.0	-52.35	303.59	5.56	-46.79
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915052	0	35	-1.0	-52.66	326.01	5.41	-47.25
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010915053	0	38	-1.0	-61.27	322.30	4.91	-56.36
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010915054	0	36	-1.0	-56.01	321.34	4.88	-51.13
CN(CCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010915055	0	51	-1.0	-54.87	390.60	6.40	-48.47
CN(CCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010915056	0	45	-1.0	-52.33	365.44	4.97	-47.36
CN(CCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010915057	0	42	-1.0	-46.15	370.13	5.46	-40.69
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300010915058	0	37	-1.0	-52.29	325.55	2.48	-49.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010915059	0	33	-1.0	-52.76	311.24	4.10	-48.66
COC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])SC=N1	REAL300010915060	0	33	-1.0	-55.92	315.14	2.62	-53.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915061	0	37	-1.0	-55.14	338.31	5.55	-49.59
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916001	0	38	-1.0	-41.11	332.28	5.81	-35.30
COCCN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916002	0	39	-1.0	-44.53	336.15	1.99	-42.54
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010916003	0	45	-1.0	-48.35	362.19	6.86	-41.49
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916004	0	42	-1.0	-58.59	329.45	5.91	-52.68
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010916005	0	37	-1.0	-48.70	323.66	4.58	-44.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010916006	0	39	-1.0	-48.75	335.96	5.53	-43.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010916007	0	34	-1.0	-49.52	319.77	5.53	-43.99
N#CC1=C(F)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916008	0	33	-1.0	-50.52	302.86	4.25	-46.27
CCOCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916009	0	46	-1.0	-55.10	381.94	4.97	-50.13
CCCCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916010	0	48	-1.0	-44.95	393.56	6.55	-38.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010916011	0	34	-1.0	-56.71	301.84	6.67	-50.04
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1F	REAL300010916012	0	38	-1.0	-43.60	334.72	5.09	-38.51
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010916013	0	38	-1.0	-42.14	359.24	5.56	-36.58
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916014	0	42	-1.0	-62.34	341.15	5.00	-57.34
COC(=O)C1=CSC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916015	0	35	-1.0	-54.30	322.01	4.27	-50.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916016	0	44	-1.0	-41.58	352.45	6.16	-35.42
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C	REAL300010916017	0	41	-1.0	-46.48	349.46	5.10	-41.38
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916018	0	38	-1.0	-57.89	321.80	4.85	-53.04
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010916019	0	42	-1.0	-45.93	324.87	6.83	-39.10
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010916020	0	38	-1.0	-47.42	325.89	5.77	-41.65
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010916021	0	31	-1.0	-43.00	295.03	2.72	-40.28
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010916022	0	36	-1.0	-50.16	331.49	5.97	-44.19
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010916023	0	32	-1.0	-40.27	302.39	5.07	-35.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010916024	0	39	-1.0	-57.27	339.97	2.27	-55.00
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916025	0	35	-1.0	-43.41	311.56	5.32	-38.09
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Br	REAL300010916026	0	36	-1.0	-44.19	325.30	4.37	-39.82
CC1(C)CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2O1	REAL300010916027	0	43	-1.0	-56.25	356.25	5.33	-50.92
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916028	0	40	-1.0	-49.25	354.38	1.19	-48.06
CCC(=O)NCC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1OC	REAL300010916029	0	49	-1.0	-48.23	406.29	3.57	-44.66
COC1=CC=C(Br)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916030	0	36	-1.0	-43.23	312.51	4.34	-38.89
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916031	0	41	-1.0	-55.61	360.82	2.34	-53.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010916032	0	34	-1.0	-43.54	324.16	4.25	-39.29
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916033	0	37	-1.0	-47.78	322.86	5.22	-42.56
N#CC1=CC(Br)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916034	0	33	-1.0	-53.46	320.95	5.08	-48.38
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010916035	0	39	-1.0	-43.54	347.15	5.30	-38.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010916036	0	37	-1.0	-44.73	329.35	-0.63	-45.36
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2S1	REAL300010916037	0	46	-1.0	-48.64	388.38	6.35	-42.29
COC(=O)CC1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916038	0	41	-1.0	-52.93	340.82	4.89	-48.04
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916039	0	37	-1.0	-51.25	327.60	4.39	-46.86
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300010916040	0	37	-1.0	-56.96	314.80	3.37	-53.59
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010916041	0	40	-1.0	-54.42	341.15	5.22	-49.20
O=C([O-])C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010916042	0	38	-1.0	-66.28	317.35	0.29	-65.99
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916043	0	42	-1.0	-46.57	355.18	5.33	-41.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010916044	0	37	-1.0	-46.57	325.97	4.14	-42.43
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1	REAL300010916045	0	42	-1.0	-44.77	334.84	5.23	-39.54
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916046	0	40	-1.0	-52.86	355.25	0.09	-52.77
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916047	0	41	-1.0	-48.36	349.39	5.89	-42.47
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010916048	0	36	-1.0	-48.04	316.96	4.03	-44.01
CSC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916049	0	36	-1.0	-52.68	315.31	5.53	-47.15
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916050	0	44	-1.0	-51.75	373.24	6.89	-44.86
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010916051	0	38	-1.0	-43.78	340.33	5.69	-38.09
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916052	0	43	-1.0	-42.46	345.60	5.66	-36.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010916053	0	31	-1.0	-46.66	299.51	3.42	-43.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010916054	0	38	-1.0	-48.46	314.57	4.25	-44.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010916055	0	37	-1.0	-60.19	315.62	4.52	-55.67
CC1=CC=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916056	0	35	-1.0	-41.41	314.85	5.43	-35.98
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010916057	0	40	-1.0	-46.84	335.21	3.59	-43.25
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916058	0	48	-1.0	-59.20	390.24	5.44	-53.76
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OCC	REAL300010916059	0	46	-1.0	-47.24	377.83	5.45	-41.79
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(=O)N(C)C1=O	REAL300010916060	0	38	-1.0	-56.79	326.83	2.79	-54.00
CC1=NN(C)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916061	0	38	-1.0	-46.20	308.03	3.30	-42.90
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916062	0	37	-1.0	-56.33	329.35	-0.54	-56.87
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010916063	0	43	-1.0	-59.29	352.91	5.63	-53.66
CC(=O)N1CCCC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916064	0	46	-1.0	-54.90	370.21	5.48	-49.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010916065	0	40	-1.0	-53.51	334.53	6.73	-46.78
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916066	0	38	-1.0	-52.42	329.88	5.17	-47.25
CC(=O)N1CCC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916067	0	43	-1.0	-61.78	359.41	5.19	-56.59
CNC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916068	0	39	-1.0	-56.49	331.55	2.78	-53.71
NC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916069	0	36	-1.0	-56.67	309.61	1.28	-55.39
CC(=O)N1C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2CC1C	REAL300010916070	0	46	-1.0	-65.57	373.95	5.67	-59.90
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=CS1	REAL300010916071	0	35	-1.0	-51.64	306.83	4.80	-46.84
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916072	0	35	-1.0	-44.54	327.00	3.71	-40.83
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010916073	0	36	-1.0	-39.00	332.02	5.59	-33.41
CCOC(=O)C1=CNN=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916074	0	38	-1.0	-66.30	331.70	2.66	-63.64
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010916075	0	38	-1.0	-48.64	331.94	1.41	-47.23
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010916076	0	38	-1.0	-45.62	326.10	1.64	-43.98
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010916077	0	38	-1.0	-43.23	342.58	1.74	-41.49
CC1=CC2=CC=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=C2N=C1	REAL300010916078	0	40	-1.0	-55.22	332.96	5.76	-49.46
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010916079	0	38	-1.0	-59.81	317.61	5.17	-54.64
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916080	0	36	-1.0	-44.03	306.03	4.79	-39.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010916081	0	36	-1.0	-45.77	323.71	4.25	-41.52
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916082	0	37	-1.0	-52.25	332.89	-1.12	-53.37
COC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916083	0	38	-1.0	-45.53	330.18	5.06	-40.47
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010916084	0	44	-1.0	-57.44	384.38	2.26	-55.18
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010916085	0	37	-1.0	-41.62	329.49	5.35	-36.27
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(F)C=C1	REAL300010916086	0	35	-1.0	-42.01	307.67	4.74	-37.27
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Cl)=C1	REAL300010916087	0	35	-1.0	-42.25	290.72	5.05	-37.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010916088	0	38	-1.0	-53.85	330.86	0.79	-53.06
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916089	0	38	-1.0	-55.86	338.43	1.48	-54.38
CN1C(=O)C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2C1=O	REAL300010916090	0	39	-1.0	-49.24	341.00	3.67	-45.57
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916091	0	40	-1.0	-34.67	334.26	4.82	-29.85
CC1=CC(F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916092	0	35	-1.0	-40.73	289.88	5.08	-35.65
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010916093	0	41	-1.0	-46.94	330.59	5.55	-41.39
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CN=C12	REAL300010916094	0	40	-1.0	-60.55	335.73	5.35	-55.20
CN1C(=O)OC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916095	0	38	-1.0	-51.64	329.99	4.30	-47.34
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010916096	0	37	-1.0	-44.94	323.05	5.91	-39.03
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916097	0	40	-1.0	-52.29	334.04	6.55	-45.74
CCOC(=O)C1CCCN(S(=O)(=O)NC2CCCC2C(=O)[O-])C1	REAL300010916098	0	46	-1.0	-58.28	373.93	4.73	-53.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010916099	0	36	-1.0	-41.70	321.39	4.20	-37.50
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916100	0	43	-1.0	-52.36	374.98	1.88	-50.48
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010916101	0	32	-1.0	-38.14	275.68	4.44	-33.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010916102	0	34	-1.0	-46.22	312.35	5.87	-40.35
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010916103	0	44	-1.0	-62.45	361.42	3.73	-58.72
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010916104	0	42	-1.0	-47.56	342.51	7.84	-39.72
CC1CC(C)CN(S(=O)(=O)NC2CCCC2C(=O)[O-])C1	REAL300010916105	0	43	-1.0	-57.86	339.12	4.40	-53.46
CCOC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916106	0	41	-1.0	-45.40	352.04	5.98	-39.42
CCOC(=O)N1CCC(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916107	0	46	-1.0	-43.77	365.95	3.73	-40.04
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010916108	0	32	-1.0	-50.46	291.84	5.02	-45.44
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010916109	0	32	-1.0	-50.28	296.40	5.13	-45.15
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010916110	0	34	-1.0	-42.85	305.95	4.63	-38.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010916111	0	38	-1.0	-49.90	321.32	6.68	-43.22
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916112	0	39	-1.0	-60.32	331.47	3.38	-56.94
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916113	0	37	-1.0	-41.60	321.86	5.48	-36.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010916114	0	34	-1.0	-51.97	295.54	5.34	-46.63
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916115	0	39	-1.0	-56.53	329.31	5.86	-50.67
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916116	0	39	-1.0	-52.86	326.45	4.73	-48.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C=C1F	REAL300010916117	0	32	-1.0	-40.93	279.28	4.25	-36.68
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010916118	0	32	-1.0	-52.54	291.65	4.21	-48.33
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010916119	0	38	-1.0	-48.71	323.12	3.08	-45.63
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1	REAL300010916120	0	41	-1.0	-44.95	326.02	6.18	-38.77
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916121	0	47	-1.0	-44.35	369.85	7.14	-37.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010916122	0	32	-1.0	-40.42	307.30	5.38	-35.04
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010916123	0	32	-1.0	-40.20	288.09	4.52	-35.68
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010916124	0	32	-1.0	-42.36	304.43	5.40	-36.96
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010916125	0	35	-1.0	-41.97	314.42	5.42	-36.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010916126	0	35	-1.0	-45.71	301.18	5.37	-40.34
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010916127	0	35	-1.0	-45.04	327.28	5.82	-39.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010916128	0	32	-1.0	-42.78	292.13	4.92	-37.86
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010916129	0	35	-1.0	-41.48	326.54	5.88	-35.60
CC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916130	0	37	-1.0	-55.35	315.58	4.90	-50.45
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010916131	0	32	-1.0	-40.21	297.97	4.97	-35.24
CC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916132	0	37	-1.0	-48.74	315.89	4.79	-43.95
CC1=NC(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)=CO1	REAL300010916133	0	41	-1.0	-50.18	354.10	3.02	-47.16
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010916134	0	31	-1.0	-42.31	305.78	2.99	-39.32
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010916135	0	35	-1.0	-49.26	306.12	4.75	-44.51
COC1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916136	0	36	-1.0	-45.97	317.17	4.18	-41.79
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010916137	0	41	-1.0	-48.21	356.87	7.01	-41.20
COC(=O)CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916138	0	41	-1.0	-59.52	352.07	5.95	-53.57
O=C([O-])C1CCCC1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010916139	0	39	-1.0	-47.90	324.03	5.88	-42.02
CC1=CC=C(N2C=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=N2)C=C1	REAL300010916140	0	42	-1.0	-48.51	358.37	6.17	-42.34
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916141	0	43	-1.0	-57.12	356.39	5.47	-51.65
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916142	0	33	-1.0	-49.00	312.35	4.62	-44.38
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916143	0	36	-1.0	-41.17	314.31	5.20	-35.97
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010916144	0	46	-1.0	-54.01	374.22	4.63	-49.38
CC1CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300010916145	0	40	-1.0	-49.32	349.14	5.53	-43.79
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010916146	0	37	-1.0	-43.30	319.85	5.53	-37.77
COC(=O)C1=COC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916147	0	35	-1.0	-50.37	316.24	3.11	-47.26
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916148	0	43	-1.0	-56.46	364.14	5.13	-51.33
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010916149	0	34	-1.0	-55.82	310.81	3.56	-52.26
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916150	0	42	-1.0	-50.49	355.97	4.62	-45.87
COC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])SC=C1	REAL300010916151	0	33	-1.0	-47.23	299.71	2.98	-44.25
CC(=O)NC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C	REAL300010916152	0	42	-1.0	-60.79	342.74	4.02	-56.77
CN1CCCC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916153	0	44	-1.0	-47.55	352.86	4.47	-43.08
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN=C1Cl	REAL300010916154	0	34	-1.0	-44.64	309.35	3.13	-41.51
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010916155	0	38	-1.0	-47.75	326.74	3.47	-44.28
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916156	0	41	-1.0	-45.03	352.36	5.59	-39.44
CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C#N	REAL300010916157	0	36	-1.0	-49.30	316.21	4.73	-44.57
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC(OC)=C1	REAL300010916158	0	40	-1.0	-58.75	337.81	2.68	-56.07
CN1C=NC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916159	0	38	-1.0	-52.04	323.64	5.75	-46.29
CCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1CC	REAL300010916160	0	44	-1.0	-47.78	352.43	6.97	-40.81
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916161	0	40	-1.0	-43.24	332.79	6.19	-37.05
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C)O1	REAL300010916162	0	38	-1.0	-63.34	339.08	3.58	-59.76
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916163	0	33	-1.0	-38.52	290.97	2.29	-36.23
COC(=O)C1=NSC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916164	0	34	-1.0	-53.70	300.35	3.26	-50.44
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC(C)=C1F	REAL300010916165	0	38	-1.0	-53.54	325.86	5.41	-48.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010916166	0	40	-1.0	-53.75	338.21	2.37	-51.38
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1C	REAL300010916167	0	39	-1.0	-46.25	336.54	4.52	-41.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010916168	0	32	-1.0	-52.17	301.97	4.66	-47.51
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010916169	0	31	-1.0	-42.96	290.46	2.62	-40.34
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916170	0	43	-1.0	-54.35	357.73	6.34	-48.01
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010916171	0	35	-1.0	-41.25	323.87	5.23	-36.02
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(N)=O	REAL300010916172	0	37	-1.0	-48.49	317.21	0.59	-47.90
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916173	0	35	-1.0	-40.65	300.22	5.52	-35.13
CCOC(=O)C1CCCN1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916174	0	43	-1.0	-66.78	352.88	4.76	-62.02
CNC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1C	REAL300010916175	0	40	-1.0	-48.78	339.22	2.06	-46.72
COC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1	REAL300010916176	0	42	-1.0	-45.98	334.06	4.79	-41.19
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010916177	0	40	-1.0	-44.00	329.12	3.57	-40.43
COC(=O)C1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916178	0	41	-1.0	-44.37	356.07	5.34	-39.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010916179	0	43	-1.0	-48.60	350.85	4.53	-44.07
COC(=O)C1=CC=CC(CS(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916180	0	41	-1.0	-49.10	356.08	5.33	-43.77
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])O1	REAL300010916181	0	38	-1.0	-43.84	336.79	4.13	-39.71
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010916182	0	43	-1.0	-57.26	363.04	8.19	-49.07
COC(=O)COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916183	0	42	-1.0	-58.11	360.96	5.43	-52.68
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916184	0	45	-1.0	-55.68	381.92	5.58	-50.10
COC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916185	0	42	-1.0	-43.52	333.01	5.05	-38.47
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010916186	0	36	-1.0	-60.32	317.19	4.44	-55.88
CCOC(=O)CCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916187	0	40	-1.0	-43.44	340.17	4.17	-39.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010916188	0	35	-1.0	-49.24	305.14	6.29	-42.95
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010916189	0	34	-1.0	-55.42	309.46	6.49	-48.93
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916190	0	37	-1.0	-61.22	310.85	6.40	-54.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010916191	0	34	-1.0	-40.34	311.24	5.59	-34.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Br)C=CS1	REAL300010916192	0	29	-1.0	-42.52	287.86	3.71	-38.81
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010916193	0	36	-1.0	-57.61	317.38	4.41	-53.20
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010916194	0	40	-1.0	-46.31	317.24	5.37	-40.94
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010916195	0	34	-1.0	-42.14	312.98	3.32	-38.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010916196	0	40	-1.0	-50.26	335.87	3.51	-46.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010916197	0	37	-1.0	-49.30	314.88	4.48	-44.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010916198	0	31	-1.0	-43.32	303.95	3.59	-39.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010916199	0	34	-1.0	-38.12	294.76	4.72	-33.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010916200	0	34	-1.0	-42.50	323.04	5.04	-37.46
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916201	0	41	-1.0	-49.76	356.42	2.87	-46.89
CCN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010916202	0	37	-1.0	-57.08	329.31	4.95	-52.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010916203	0	34	-1.0	-53.24	311.31	5.44	-47.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010916204	0	34	-1.0	-54.82	313.45	4.81	-50.01
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010916205	0	39	-1.0	-54.58	346.03	5.19	-49.39
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010916206	0	34	-1.0	-46.07	316.91	5.97	-40.10
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010916207	0	46	-1.0	-46.77	388.97	7.24	-39.53
CC1(C)C2CCC1(CS(=O)(=O)NC1CCCC1C(=O)[O-])C(=O)C2	REAL300010916208	0	47	-1.0	-50.24	356.91	6.47	-43.77
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916209	0	40	-1.0	-48.75	339.22	0.77	-47.98
CCC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916210	0	40	-1.0	-48.63	338.48	5.67	-42.96
CCOC(=O)N1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916211	0	45	-1.0	-54.79	362.63	3.24	-51.55
COC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010916212	0	41	-1.0	-55.14	352.99	5.85	-49.29
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010916213	0	42	-1.0	-45.77	362.37	5.94	-39.83
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916214	0	54	-1.0	-56.70	415.29	6.98	-49.72
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916215	0	40	-1.0	-58.43	348.68	1.22	-57.21
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300010916216	0	35	-1.0	-44.08	307.68	4.74	-39.34
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1F	REAL300010916217	0	38	-1.0	-59.34	340.46	1.95	-57.39
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(F)C=C1F	REAL300010916218	0	35	-1.0	-44.92	311.34	4.71	-40.21
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916219	0	39	-1.0	-45.23	346.83	4.96	-40.27
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916220	0	44	-1.0	-47.94	366.52	5.87	-42.07
CC1=CN(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2F)N=C1	REAL300010916221	0	42	-1.0	-46.79	358.97	6.26	-40.53
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916222	0	39	-1.0	-57.15	354.76	3.93	-53.22
CCS(=O)(=O)NCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916223	0	39	-1.0	-49.28	341.35	-1.29	-50.57
CC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916224	0	35	-1.0	-44.07	311.34	4.72	-39.35
CC1=CC(Cl)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916225	0	37	-1.0	-41.25	338.37	5.78	-35.47
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010916226	0	38	-1.0	-55.49	329.23	5.15	-50.34
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010916227	0	29	-1.0	-38.20	284.80	4.15	-34.05
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010916228	0	44	-1.0	-48.31	370.52	5.92	-42.39
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300010916229	0	32	-1.0	-49.49	290.92	4.07	-45.42
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010916230	0	32	-1.0	-52.65	288.36	4.83	-47.82
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010916231	0	38	-1.0	-48.26	329.79	5.93	-42.33
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010916232	0	38	-1.0	-51.28	348.25	5.17	-46.11
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C12	REAL300010916233	0	40	-1.0	-46.94	342.25	4.07	-42.87
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916234	0	39	-1.0	-62.58	344.19	5.01	-57.57
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010916235	0	35	-1.0	-43.01	328.36	5.27	-37.74
CC1=NOC2=NC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C12	REAL300010916236	0	36	-1.0	-44.55	315.70	1.32	-43.23
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010916237	0	41	-1.0	-55.84	356.65	7.35	-48.49
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010916238	0	34	-1.0	-42.14	312.98	3.32	-38.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010916239	0	34	-1.0	-37.67	311.24	5.72	-31.95
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916240	0	38	-1.0	-47.45	317.89	5.93	-41.52
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010916241	0	35	-1.0	-46.33	314.74	5.13	-41.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010916242	0	44	-1.0	-65.70	371.70	3.01	-62.69
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010916243	0	39	-1.0	-41.65	347.27	4.47	-37.18
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010916244	0	32	-1.0	-42.25	309.01	5.51	-36.74
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CN=C21	REAL300010916245	0	40	-1.0	-45.48	348.03	1.39	-44.09
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1F	REAL300010916246	0	41	-1.0	-43.47	356.58	6.01	-37.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010916247	0	40	-1.0	-51.48	339.97	4.50	-46.98
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010916248	0	35	-1.0	-45.05	331.12	6.34	-38.71
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010916249	0	38	-1.0	-44.76	344.58	6.77	-37.99
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010916250	0	35	-1.0	-45.12	332.10	5.81	-39.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010916251	0	38	-1.0	-50.95	321.08	7.25	-43.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010916252	0	38	-1.0	-50.28	328.51	7.06	-43.22
CCOC(=O)C1CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2O1	REAL300010916253	0	46	-1.0	-58.89	392.31	6.31	-52.58
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916254	0	38	-1.0	-54.06	343.74	1.46	-52.60
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916255	0	45	-1.0	-50.53	384.25	5.49	-45.04
O=C([O-])C1CCCC1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010916256	0	43	-1.0	-47.87	377.51	1.03	-46.84
N#CC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916257	1	33	-1.0	-41.51	306.83	4.56	-36.95
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1N(C)C	REAL300010916258	0	43	-1.0	-48.36	349.97	5.05	-43.31
CN1C(Cl)=NC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916259	0	32	-1.0	-46.23	288.06	3.20	-43.03
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916260	0	37	-1.0	-40.39	334.23	5.85	-34.54
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])N=C1Cl	REAL300010916261	0	32	-1.0	-45.09	296.58	3.18	-41.91
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916262	0	35	-1.0	-56.24	321.70	4.64	-51.60
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916263	0	38	-1.0	-48.21	326.85	6.48	-41.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916264	0	44	-1.0	-51.30	350.98	4.83	-46.47
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010916265	0	37	-1.0	-56.38	314.75	3.92	-52.46
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916266	0	38	-1.0	-56.16	339.35	1.44	-54.72
CCOC(=O)C1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916267	0	46	-1.0	-61.14	373.03	4.63	-56.51
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916268	0	40	-1.0	-54.12	332.84	5.76	-48.36
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010916269	0	35	-1.0	-58.91	307.91	3.16	-55.75
CCC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916270	0	42	-1.0	-60.19	351.77	4.21	-55.98
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010916271	0	35	-1.0	-44.99	323.32	5.22	-39.77
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010916272	0	33	-1.0	-59.37	292.53	4.69	-54.68
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916273	0	41	-1.0	-52.99	345.47	5.73	-47.26
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010916274	0	32	-1.0	-42.24	294.10	4.95	-37.29
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916275	0	51	-1.0	-57.52	393.91	8.22	-49.30
O=C([O-])C1CCCC1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010916276	0	35	-1.0	-47.19	328.31	5.57	-41.62
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916277	0	39	-1.0	-51.16	354.27	3.52	-47.64
CC1CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2O1	REAL300010916278	0	40	-1.0	-56.15	335.77	4.68	-51.47
COC1=CC(Cl)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916279	0	36	-1.0	-42.28	337.50	4.37	-37.91
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916280	0	44	-1.0	-46.28	355.40	3.02	-43.26
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CS1	REAL300010916281	0	35	-1.0	-43.59	322.71	4.09	-39.50
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916282	0	41	-1.0	-59.86	356.67	7.12	-52.74
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010916283	0	43	-1.0	-53.04	380.52	7.86	-45.18
COC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010916284	0	41	-1.0	-49.32	341.36	5.25	-44.07
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010916285	0	34	-1.0	-54.56	328.34	5.37	-49.19
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916286	0	36	-1.0	-44.81	333.87	4.61	-40.20
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916287	0	44	-1.0	-46.52	350.43	4.97	-41.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010916288	0	34	-1.0	-41.13	303.62	5.07	-36.06
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)=C1	REAL300010916289	0	46	-1.0	-51.90	385.22	8.04	-43.86
COC1=CC=C(C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916290	0	39	-1.0	-58.30	307.91	5.01	-53.29
N#CC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916291	0	36	-1.0	-42.59	322.13	5.07	-37.52
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010916292	0	35	-1.0	-50.81	307.12	1.91	-48.90
CN1C(=O)CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916293	0	40	-1.0	-58.19	341.66	4.50	-53.69
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010916294	0	32	-1.0	-50.10	302.89	5.61	-44.49
COC(=O)C1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916295	0	43	-1.0	-62.54	349.93	3.77	-58.77
COC1=C(C)C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916296	0	42	-1.0	-55.42	352.41	4.95	-50.47
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C(=O)OC)S1	REAL300010916297	0	41	-1.0	-47.65	363.06	5.65	-42.00
COCC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916298	0	39	-1.0	-46.92	330.47	4.12	-42.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010916299	0	32	-1.0	-46.54	305.69	4.37	-42.17
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010916300	0	41	-1.0	-45.45	356.72	5.76	-39.69
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010916301	0	38	-1.0	-47.09	342.79	5.04	-42.05
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010916302	0	38	-1.0	-51.32	358.57	5.62	-45.70
O=C([O-])C1CCCC1NS(=O)(=O)CCOCC(F)(F)F	REAL300010916303	0	35	-1.0	-46.63	316.46	2.15	-44.48
CC1=NC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2O1	REAL300010916304	0	37	-1.0	-50.94	319.02	2.07	-48.87
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916305	0	44	-1.0	-43.24	331.97	7.07	-36.17
CC1=CC(Br)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916307	0	32	-1.0	-44.67	305.74	4.97	-39.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010916308	0	37	-1.0	-44.91	329.90	4.96	-39.95
CC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916309	0	41	-1.0	-45.46	340.17	5.84	-39.62
CC1=C(Br)SC(S(=O)(=O)NC2CCCC2C(=O)[O-])=N1	REAL300010916310	1	31	-1.0	-40.96	298.03	2.33	-38.63
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916311	0	37	-1.0	-40.78	326.26	5.50	-35.28
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010916312	0	36	-1.0	-45.17	328.15	3.27	-41.90
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010916313	0	37	-1.0	-53.24	321.98	5.85	-47.39
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010916314	0	40	-1.0	-51.50	342.30	5.86	-45.64
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010916315	0	40	-1.0	-44.93	350.98	6.14	-38.79
CC1=NN2C=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=NC2=C1Cl	REAL300010916316	0	37	-1.0	-47.07	332.74	4.18	-42.89
CCCN1C=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916317	0	38	-1.0	-54.06	323.76	5.11	-48.95
CCCCCCN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(=O)NC1=O	REAL300010916318	0	50	-1.0	-42.04	402.03	5.16	-36.88
O=C([O-])C1CCCC1NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010916320	0	35	-1.0	-49.97	311.88	4.74	-45.23
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC4CCCC4C(=O)[O-])C=CC1=C23	REAL300010916321	0	43	-1.0	-48.19	357.04	6.19	-42.00
N#CC1=CC=C(F)C(CS(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916322	0	36	-1.0	-46.04	327.44	5.09	-40.95
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010916323	0	37	-1.0	-51.26	331.87	5.39	-45.87
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916324	0	38	-1.0	-48.28	316.52	6.04	-42.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010916325	0	46	-1.0	-44.13	381.18	5.65	-38.48
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010916326	0	35	-1.0	-58.51	316.97	3.83	-54.68
CC1=CC=C(Br)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916327	0	35	-1.0	-43.84	304.44	5.71	-38.13
CC1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916328	0	35	-1.0	-47.10	309.22	5.54	-41.56
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010916329	0	35	-1.0	-42.97	313.47	4.71	-38.26
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916330	0	43	-1.0	-48.56	375.84	2.08	-46.48
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010916331	0	31	-1.0	-46.68	289.60	3.71	-42.97
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C12	REAL300010916332	0	43	-1.0	-46.25	357.63	5.28	-40.97
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010916333	0	35	-1.0	-41.83	335.20	5.69	-36.14
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916334	0	40	-1.0	-72.04	338.17	2.57	-69.47
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010916335	0	31	-1.0	-39.24	299.79	3.47	-35.77
CCN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])N=C1C	REAL300010916336	0	38	-1.0	-50.27	322.00	4.12	-46.15
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916337	0	37	-1.0	-53.50	329.56	2.91	-50.59
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(Cl)S1	REAL300010916338	0	35	-1.0	-44.52	347.64	1.06	-43.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010916339	0	40	-1.0	-46.92	332.34	4.55	-42.37
CC(C)OC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916340	0	42	-1.0	-52.70	344.38	5.35	-47.35
CC1=C(C)SC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916341	0	35	-1.0	-45.44	310.03	4.78	-40.66
COCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916342	0	39	-1.0	-54.32	330.18	4.24	-50.08
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916343	0	41	-1.0	-47.28	367.37	3.81	-43.47
O=C([O-])C1CCCC1NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010916344	0	43	-1.0	-55.81	353.08	10.87	-44.94
CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Cl	REAL300010916345	0	35	-1.0	-45.28	310.68	5.09	-40.19
CC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Br	REAL300010916346	0	37	-1.0	-45.04	335.40	4.94	-40.10
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010916347	0	43	-1.0	-46.18	380.03	3.37	-42.81
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)CC1	REAL300010916348	0	45	-1.0	-48.59	376.06	6.59	-42.00
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916349	0	36	-1.0	-45.24	336.86	5.36	-39.88
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010916350	0	41	-1.0	-44.85	334.40	7.90	-36.95
CC1(C)CN(S(=O)(=O)NC2CCCC2C(=O)[O-])CCO1	REAL300010916351	0	41	-1.0	-46.20	320.00	2.45	-43.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010916352	0	35	-1.0	-50.24	301.43	3.06	-47.18
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010916353	0	40	-1.0	-48.23	319.18	5.94	-42.29
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010916354	0	38	-1.0	-48.94	318.53	6.06	-42.88
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010916355	0	45	-1.0	-52.41	366.24	5.62	-46.79
O=C([O-])C1CCCC1NS(=O)(=O)CCCN1CCOCC1	REAL300010916356	0	44	-1.0	-42.96	351.29	0.94	-42.02
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010916357	0	38	-1.0	-53.33	347.43	2.16	-51.17
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916358	0	41	-1.0	-54.69	361.88	5.72	-48.97
COCC1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916359	0	39	-1.0	-45.80	325.34	4.03	-41.77
CCC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010916360	0	41	-1.0	-59.15	358.06	4.39	-54.76
O=C([O-])C1CCCC1NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010916361	0	49	-1.0	-61.54	391.17	5.81	-55.73
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916362	0	45	-1.0	-46.91	389.12	5.57	-41.34
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Cl)=C1	REAL300010916363	0	33	-1.0	-43.13	303.09	5.21	-37.92
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916364	0	36	-1.0	-42.63	334.34	4.45	-38.18
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010916365	0	39	-1.0	-58.28	322.21	4.39	-53.89
O=C([O-])C1CCCC1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010916366	0	37	-1.0	-48.46	324.62	4.02	-44.44
O=C([O-])C1CCCC1NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010916367	0	52	-1.0	-46.91	395.30	5.52	-41.39
O=C([O-])C1CCCC1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010916368	0	46	-1.0	-43.74	366.85	4.16	-39.58
O=C([O-])C1CCCC1NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010916369	0	43	-1.0	-42.01	370.70	4.46	-37.55
CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010916370	0	35	-1.0	-48.08	304.67	4.65	-43.43
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916371	0	38	-1.0	-53.28	327.86	1.69	-51.59
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010916372	0	34	-1.0	-51.51	314.32	3.38	-48.13
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])SC=N1	REAL300010916373	1	34	-1.0	-56.78	319.00	1.84	-54.94
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916374	0	38	-1.0	-55.15	340.02	4.79	-50.36
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O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010921105	0	32	-1.0	-50.32	289.04	4.48	-45.84
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010921106	0	32	-1.0	-42.60	306.47	5.34	-37.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1Cl	REAL300010921107	0	32	-1.0	-46.14	285.12	4.71	-41.43
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921108	0	44	-1.0	-50.34	382.50	5.62	-44.72
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921109	0	44	-1.0	-50.23	366.15	6.50	-43.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010921110	1	32	-1.0	-48.09	282.22	4.62	-43.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010921111	0	31	-1.0	-45.96	287.25	3.03	-42.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010921112	0	32	-1.0	-41.13	289.72	4.70	-36.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010921113	0	35	-1.0	-41.67	310.96	5.62	-36.05
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010921114	0	35	-1.0	-43.15	315.32	5.57	-37.58
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1NC(C)=O	REAL300010921115	0	43	-1.0	-56.12	351.65	2.56	-53.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010921116	0	36	-1.0	-44.47	321.36	4.18	-40.29
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300010921117	0	47	-1.0	-44.83	341.11	7.13	-37.70
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010921118	0	41	-1.0	-48.49	338.21	4.35	-44.14
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921119	0	37	-1.0	-55.25	321.71	5.64	-49.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)S1	REAL300010921120	0	29	-1.0	-42.18	287.37	4.07	-38.11
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010921121	0	38	-1.0	-41.33	325.91	6.61	-34.72
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921122	0	36	-1.0	-42.75	322.98	5.15	-37.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921123	0	50	-1.0	-45.78	379.66	8.19	-37.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010921124	0	48	-1.0	-46.98	377.27	8.19	-38.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010921125	0	35	-1.0	-43.27	314.17	5.38	-37.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010921126	0	42	-1.0	-49.07	335.79	6.82	-42.25
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921127	0	40	-1.0	-46.40	331.36	3.83	-42.57
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010921128	0	40	-1.0	-50.17	334.12	3.61	-46.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010921129	0	42	-1.0	-49.41	372.66	3.97	-45.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010921130	0	39	-1.0	-49.21	320.92	6.31	-42.90
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921131	0	39	-1.0	-47.57	349.67	2.57	-45.00
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010921132	0	40	-1.0	-47.32	325.77	6.68	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1F	REAL300010921133	0	32	-1.0	-43.07	279.39	4.24	-38.83
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921134	0	42	-1.0	-47.39	336.32	3.93	-43.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010921135	0	29	-1.0	-47.61	296.64	4.55	-43.06
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921136	0	47	-1.0	-46.85	378.86	7.89	-38.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010921137	0	38	-1.0	-52.22	315.10	6.63	-45.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010921138	0	42	-1.0	-49.13	349.57	7.80	-41.33
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010921139	0	35	-1.0	-42.39	321.24	5.81	-36.58
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921140	0	35	-1.0	-39.47	288.40	5.16	-34.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010921141	0	32	-1.0	-39.66	311.33	6.05	-33.61
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921142	0	47	-1.0	-47.17	365.84	7.17	-40.00
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921143	0	35	-1.0	-47.53	310.85	5.52	-42.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010921144	0	32	-1.0	-39.70	294.73	4.57	-35.13
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921145	0	35	-1.0	-45.48	294.67	4.87	-40.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010921146	1	32	-1.0	-42.34	303.45	5.03	-37.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010921147	0	35	-1.0	-45.26	316.12	5.37	-39.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010921148	0	32	-1.0	-38.19	298.60	4.89	-33.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010921149	0	32	-1.0	-38.19	284.29	4.34	-33.85
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300010921150	0	33	-1.0	-47.85	285.47	3.12	-44.73
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921151	0	35	-1.0	-43.16	302.54	5.09	-38.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010921152	0	35	-1.0	-43.68	320.14	5.46	-38.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010921153	0	37	-1.0	-62.99	313.66	5.03	-57.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010921154	0	35	-1.0	-41.50	300.63	5.17	-36.33
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010921155	0	43	-1.0	-48.07	380.34	7.72	-40.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010921156	0	32	-1.0	-48.58	292.49	4.82	-43.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010921157	0	32	-1.0	-41.11	289.53	5.00	-36.11
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921158	0	38	-1.0	-42.75	327.26	5.21	-37.54
CC1=CC=C(F)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921159	0	35	-1.0	-50.89	298.46	5.03	-45.86
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921160	0	36	-1.0	-50.42	311.10	3.78	-46.64
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921161	0	35	-1.0	-48.99	302.10	5.11	-43.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010921162	1	32	-1.0	-42.53	288.52	4.67	-37.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010921163	0	32	-1.0	-40.27	302.39	5.07	-35.20
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300010921164	0	47	-1.0	-48.56	393.66	6.46	-42.10
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921165	0	39	-1.0	-47.36	337.73	3.74	-43.62
CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921166	0	43	-1.0	-44.97	324.35	4.58	-40.39
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010921167	0	48	-1.0	-49.59	380.62	7.46	-42.13
N#CC1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921168	0	36	-1.0	-45.50	319.63	5.48	-40.02
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010921169	0	35	-1.0	-46.38	312.76	6.14	-40.24
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010921170	0	35	-1.0	-42.25	330.67	6.06	-36.19
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010921171	0	42	-1.0	-50.77	343.39	5.98	-44.79
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010921172	0	39	-1.0	-44.86	325.69	1.80	-43.06
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010921173	0	40	-1.0	-49.52	337.20	1.79	-47.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921174	0	37	-1.0	-39.89	311.73	5.67	-34.22
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921175	0	39	-1.0	-48.23	319.96	2.85	-45.38
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921176	0	37	-1.0	-47.06	302.85	5.47	-41.59
CN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010921177	0	32	-1.0	-49.03	294.46	3.85	-45.18
CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921178	0	35	-1.0	-44.23	300.80	5.04	-39.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921179	0	38	-1.0	-49.08	344.49	5.47	-43.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010921180	0	31	-1.0	-42.71	292.66	3.08	-39.63
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921181	0	41	-1.0	-58.53	360.43	2.60	-55.93
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921182	0	39	-1.0	-51.43	329.03	3.25	-48.18
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300010921183	0	46	-1.0	-67.46	367.16	5.94	-61.52
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921184	0	37	-1.0	-53.20	324.91	0.25	-52.95
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300010921185	0	42	-1.0	-44.54	328.82	4.86	-39.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010921186	0	32	-1.0	-39.47	289.53	4.99	-34.48
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300010921187	0	43	-1.0	-46.26	358.68	3.92	-42.34
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010921188	0	35	-1.0	-42.94	320.91	5.73	-37.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010921189	0	32	-1.0	-40.55	311.51	5.48	-35.07
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921190	0	45	-1.0	-53.76	378.80	4.18	-49.58
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921191	0	46	-1.0	-48.44	383.53	3.54	-44.90
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921192	0	40	-1.0	-37.21	326.34	6.58	-30.63
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921193	0	44	-1.0	-46.91	356.61	7.07	-39.84
COCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921194	0	42	-1.0	-47.17	351.97	4.90	-42.27
COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921195	0	44	-1.0	-42.23	338.38	2.16	-40.07
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921196	0	35	-1.0	-39.57	298.67	5.60	-33.97
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921197	0	48	-1.0	-46.11	387.30	6.71	-39.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010921198	0	46	-1.0	-47.25	370.20	6.58	-40.67
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921199	0	45	-1.0	-47.43	368.35	6.10	-41.33
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921200	0	42	-1.0	-47.38	348.24	5.41	-41.97
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921201	0	36	-1.0	-43.68	320.90	4.26	-39.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010921202	0	36	-1.0	-46.28	330.65	4.53	-41.75
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921203	0	39	-1.0	-46.13	325.32	4.43	-41.70
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300010921204	0	45	-1.0	-47.65	365.36	6.03	-41.62
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010921205	0	39	-1.0	-44.90	312.94	4.31	-40.59
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921206	0	43	-1.0	-49.98	360.37	3.88	-46.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300010921207	0	35	-1.0	-53.49	302.94	5.01	-48.48
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921208	0	43	-1.0	-60.00	366.13	4.07	-55.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010921209	0	47	-1.0	-47.25	381.22	3.83	-43.42
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010921210	0	35	-1.0	-44.88	304.59	5.59	-39.29
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921211	0	38	-1.0	-51.53	342.60	2.29	-49.24
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921212	0	38	-1.0	-47.58	328.00	6.40	-41.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010921213	0	37	-1.0	-52.57	316.29	4.75	-47.82
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921214	0	36	-1.0	-49.29	310.49	4.90	-44.39
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921215	0	36	-1.0	-40.71	304.19	5.41	-35.30
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921216	0	33	-1.0	-40.43	293.54	4.57	-35.86
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921217	0	36	-1.0	-49.82	327.33	5.46	-44.36
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300010921218	0	42	-1.0	-52.37	357.46	5.11	-47.26
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921219	0	41	-1.0	-44.74	346.31	5.61	-39.13
COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921220	0	39	-1.0	-49.04	328.23	3.20	-45.84
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921221	0	42	-1.0	-55.36	342.91	-0.19	-55.55
CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921222	0	41	-1.0	-44.79	317.29	2.23	-42.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010921223	0	41	-1.0	-60.45	344.10	4.42	-56.03
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010921224	0	41	-1.0	-50.23	344.03	5.52	-44.71
CCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300010921225	0	41	-1.0	-46.17	329.32	4.16	-42.01
CC(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921226	0	38	-1.0	-46.08	321.41	3.34	-42.74
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921227	0	41	-1.0	-55.94	340.06	5.35	-50.59
CC(C)N1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921228	0	38	-1.0	-49.46	319.59	4.73	-44.73
CC(C)C1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300010921229	0	38	-1.0	-57.75	317.54	2.76	-54.99
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921230	0	44	-1.0	-47.01	322.28	6.58	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010921231	0	45	-1.0	-54.89	378.29	7.22	-47.67
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921232	0	40	-1.0	-49.10	341.45	3.81	-45.29
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010921234	0	39	-1.0	-57.60	340.47	5.67	-51.93
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010921235	0	38	-1.0	-55.24	338.70	5.08	-50.16
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010921236	0	36	-1.0	-42.51	322.97	4.55	-37.96
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010921237	0	42	-1.0	-46.77	357.39	6.15	-40.62
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(Br)O1	REAL300010921238	0	35	-1.0	-38.99	329.66	3.68	-35.31
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C(Br)S1	REAL300010921239	0	32	-1.0	-37.24	300.14	4.80	-32.44
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1	REAL300010921240	0	36	-1.0	-54.26	320.20	2.58	-51.68
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921241	0	33	-1.0	-44.13	311.59	5.22	-38.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300010921242	0	40	-1.0	-56.58	323.50	7.33	-49.25
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921243	0	38	-1.0	-44.03	337.33	5.48	-38.55
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921244	0	41	-1.0	-47.75	346.63	2.55	-45.20
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010921245	0	36	-1.0	-41.37	314.92	5.49	-35.88
N#CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010921246	0	33	-1.0	-45.55	311.61	5.22	-40.33
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921247	0	48	-1.0	-50.12	383.71	5.89	-44.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010921248	0	43	-1.0	-60.47	363.43	4.38	-56.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010921249	0	44	-1.0	-51.39	384.40	2.23	-49.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921250	0	40	-1.0	-51.86	352.01	0.55	-51.31
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921251	0	42	-1.0	-51.64	371.46	3.34	-48.30
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300010921252	0	35	-1.0	-43.65	313.71	3.18	-40.47
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921253	0	38	-1.0	-46.99	333.36	3.84	-43.15
CC1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921254	0	34	-1.0	-46.12	301.96	2.85	-43.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010921255	1	34	-1.0	-48.43	294.99	5.98	-42.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010921256	0	35	-1.0	-41.62	333.08	6.12	-35.50
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C)N1	REAL300010921257	0	45	-1.0	-51.78	368.47	4.98	-46.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010921258	0	32	-1.0	-46.03	294.00	5.13	-40.90
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300010921259	0	38	-1.0	-48.49	353.25	4.91	-43.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010921260	0	52	-1.0	-46.00	409.98	8.00	-38.00
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010921261	0	42	-1.0	-55.53	372.64	3.98	-51.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(I)=C1	REAL300010921262	0	32	-1.0	-45.77	303.16	5.50	-40.27
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921263	0	41	-1.0	-42.45	336.74	5.74	-36.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010921264	0	34	-1.0	-51.72	303.77	6.35	-45.37
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010921265	0	40	-1.0	-48.66	335.15	3.57	-45.09
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010921266	0	43	-1.0	-43.86	341.58	4.24	-39.62
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010921267	1	34	-1.0	-37.49	322.33	6.95	-30.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010921268	0	35	-1.0	-48.71	312.48	5.23	-43.48
N#CC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921269	0	33	-1.0	-50.37	294.70	4.51	-45.86
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921270	0	33	-1.0	-50.20	305.04	4.97	-45.23
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921271	0	35	-1.0	-47.35	314.89	5.60	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921272	0	35	-1.0	-45.78	290.45	5.11	-40.67
COC(=O)CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921273	0	38	-1.0	-48.15	334.73	3.18	-44.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010921274	0	38	-1.0	-46.60	329.34	7.05	-39.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010921275	0	37	-1.0	-39.08	322.46	5.77	-33.31
CC1=C(Br)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921276	0	32	-1.0	-42.01	308.68	4.71	-37.30
N#CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921277	0	36	-1.0	-50.28	317.67	5.56	-44.72
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300010921278	0	38	-1.0	-44.12	341.01	5.14	-38.98
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010921279	0	50	-1.0	-47.28	358.65	5.83	-41.45
CC1=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300010921280	0	40	-1.0	-53.74	324.34	6.08	-47.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010921281	0	43	-1.0	-47.46	353.82	2.80	-44.66
CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300010921282	0	35	-1.0	-45.76	304.43	5.55	-40.21
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921283	0	38	-1.0	-55.83	333.53	5.72	-50.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010921284	0	40	-1.0	-48.28	334.60	2.01	-46.27
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010921285	0	38	-1.0	-45.07	330.91	5.15	-39.92
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921286	0	38	-1.0	-38.78	324.64	6.03	-32.75
COCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921287	0	39	-1.0	-44.90	335.16	2.03	-42.87
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010921288	0	45	-1.0	-50.32	365.15	6.91	-43.41
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921289	0	42	-1.0	-48.28	341.86	6.14	-42.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010921290	0	37	-1.0	-48.71	323.71	4.57	-44.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010921291	0	39	-1.0	-51.79	337.12	5.37	-46.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010921292	0	34	-1.0	-39.07	319.78	5.53	-33.54
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921293	0	33	-1.0	-56.41	295.88	4.31	-52.10
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921294	0	46	-1.0	-49.95	382.23	4.84	-45.11
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921295	0	48	-1.0	-46.04	391.23	6.97	-39.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010921296	0	34	-1.0	-43.56	305.81	6.42	-37.14
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921297	0	38	-1.0	-48.17	334.71	5.09	-43.08
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300010921298	0	38	-1.0	-40.93	354.94	5.92	-35.01
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921299	0	42	-1.0	-45.81	356.32	5.19	-40.62
COC(=O)C1=CSC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921300	0	35	-1.0	-51.50	323.55	4.06	-47.44
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921301	0	44	-1.0	-42.31	354.97	6.11	-36.20
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010921302	0	41	-1.0	-45.97	338.65	5.41	-40.56
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921303	0	38	-1.0	-47.38	331.92	5.02	-42.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010921304	0	42	-1.0	-48.04	323.86	6.44	-41.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010921305	0	38	-1.0	-52.19	323.29	6.22	-45.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010921306	0	31	-1.0	-42.48	291.70	3.21	-39.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010921307	0	36	-1.0	-45.41	331.76	5.85	-39.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010921308	0	32	-1.0	-40.28	302.39	5.07	-35.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010921309	0	39	-1.0	-58.18	337.65	2.17	-56.01
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921310	0	35	-1.0	-43.09	303.52	5.61	-37.48
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010921311	0	36	-1.0	-45.18	325.30	4.37	-40.81
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010921312	0	43	-1.0	-48.06	353.24	5.49	-42.57
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921313	0	40	-1.0	-49.16	354.37	1.19	-47.97
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300010921314	0	49	-1.0	-48.25	406.30	3.57	-44.68
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921315	0	36	-1.0	-43.34	312.51	4.22	-39.12
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921316	0	41	-1.0	-52.27	357.55	2.82	-49.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010921317	0	34	-1.0	-44.41	323.66	4.32	-40.09
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921318	0	37	-1.0	-49.52	311.99	4.87	-44.65
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921319	0	33	-1.0	-43.93	315.10	5.31	-38.62
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921320	0	39	-1.0	-43.50	347.14	5.30	-38.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010921321	0	37	-1.0	-47.60	323.70	-0.24	-47.84
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300010921322	0	46	-1.0	-48.60	388.38	6.35	-42.25
COC(=O)CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921323	0	41	-1.0	-52.46	341.66	4.85	-47.61
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921324	0	37	-1.0	-50.81	326.95	4.43	-46.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300010921325	0	37	-1.0	-47.09	311.36	3.70	-43.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010921326	0	40	-1.0	-59.55	337.51	5.52	-54.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010921327	0	38	-1.0	-64.40	314.98	0.74	-63.66
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921328	0	42	-1.0	-50.31	356.01	5.16	-45.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010921329	0	37	-1.0	-52.14	323.64	4.56	-47.58
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010921330	0	42	-1.0	-44.78	334.80	5.23	-39.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921331	0	40	-1.0	-48.73	352.35	0.55	-48.18
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921332	0	41	-1.0	-51.17	341.17	6.56	-44.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010921333	0	36	-1.0	-46.79	302.20	4.61	-42.18
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921334	0	36	-1.0	-46.06	315.57	5.40	-40.66
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921335	0	44	-1.0	-47.33	373.54	6.76	-40.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010921336	0	38	-1.0	-44.35	337.82	6.12	-38.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921337	0	43	-1.0	-45.58	341.79	6.12	-39.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010921338	0	31	-1.0	-45.70	297.34	3.27	-42.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010921339	0	38	-1.0	-49.78	318.30	4.00	-45.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010921340	0	37	-1.0	-46.75	307.12	4.72	-42.03
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921341	0	35	-1.0	-39.50	303.27	5.70	-33.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010921342	0	40	-1.0	-48.93	332.87	3.51	-45.42
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921343	0	48	-1.0	-56.00	388.98	5.19	-50.81
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300010921344	0	46	-1.0	-47.24	377.82	5.45	-41.79
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300010921345	0	38	-1.0	-61.82	320.63	3.43	-58.39
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921346	0	38	-1.0	-51.26	308.11	3.31	-47.95
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921347	0	37	-1.0	-51.86	329.64	-0.66	-52.52
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010921348	0	43	-1.0	-52.38	351.50	5.39	-46.99
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921349	0	46	-1.0	-53.70	364.62	5.89	-47.81
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300010921350	0	40	-1.0	-39.27	328.44	6.27	-33.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921351	0	38	-1.0	-47.81	330.17	5.05	-42.76
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921352	0	43	-1.0	-60.99	355.97	5.53	-55.46
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921353	0	39	-1.0	-53.14	331.84	2.66	-50.48
NC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921354	0	36	-1.0	-46.63	309.86	1.16	-45.47
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2CC1C	REAL300010921355	0	46	-1.0	-47.18	369.99	5.99	-41.19
COC(=O)C1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300010921356	0	35	-1.0	-52.33	306.77	4.82	-47.51
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921357	0	35	-1.0	-44.54	323.38	4.16	-40.38
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010921358	0	36	-1.0	-43.57	332.45	5.58	-37.99
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921359	0	38	-1.0	-56.20	328.58	2.89	-53.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010921360	0	38	-1.0	-49.28	332.42	1.23	-48.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010921361	0	38	-1.0	-46.04	326.60	1.46	-44.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300010921362	0	38	-1.0	-44.39	332.11	2.00	-42.39
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300010921363	0	40	-1.0	-55.23	332.97	5.76	-49.47
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010921364	0	38	-1.0	-56.39	316.50	5.12	-51.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921365	0	36	-1.0	-43.81	316.21	5.04	-38.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010921366	0	36	-1.0	-46.76	316.99	4.97	-41.79
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921367	0	37	-1.0	-49.71	329.63	-0.64	-50.35
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921368	0	38	-1.0	-54.95	330.18	5.07	-49.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010921369	0	44	-1.0	-47.00	378.80	1.99	-45.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010921370	0	37	-1.0	-46.17	324.89	5.70	-40.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(F)C=C1	REAL300010921371	0	35	-1.0	-42.90	306.03	5.17	-37.73
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300010921372	0	35	-1.0	-46.86	303.89	5.48	-41.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010921373	0	38	-1.0	-51.58	331.26	0.78	-50.80
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921374	0	38	-1.0	-50.03	336.11	1.91	-48.12
CN1C(=O)C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2C1=O	REAL300010921375	0	39	-1.0	-48.81	341.59	3.50	-45.31
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921376	0	40	-1.0	-47.35	339.91	5.66	-41.69
CC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921377	0	35	-1.0	-40.76	289.88	5.08	-35.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010921378	0	41	-1.0	-45.77	325.87	5.44	-40.33
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010921379	0	40	-1.0	-46.45	328.18	5.37	-41.08
CN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921380	0	38	-1.0	-53.10	329.49	4.37	-48.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010921381	0	37	-1.0	-49.21	323.17	5.87	-43.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921382	0	40	-1.0	-57.49	323.40	7.11	-50.38
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300010921383	0	46	-1.0	-51.06	370.18	4.95	-46.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010921384	0	36	-1.0	-46.58	321.38	4.20	-42.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921385	0	43	-1.0	-49.23	370.99	2.40	-46.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010921386	0	32	-1.0	-42.97	288.86	4.88	-38.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010921387	0	34	-1.0	-51.24	301.69	6.41	-44.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010921388	0	44	-1.0	-48.70	361.46	3.74	-44.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010921389	0	42	-1.0	-50.15	338.77	7.75	-42.40
CC1CC(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300010921390	0	43	-1.0	-44.27	335.63	4.60	-39.67
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921391	0	41	-1.0	-54.97	352.03	5.98	-48.99
CCOC(=O)N1CCC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921392	0	46	-1.0	-67.04	370.99	4.38	-62.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010921393	0	32	-1.0	-43.84	292.16	4.90	-38.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010921394	0	32	-1.0	-43.82	296.72	5.01	-38.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010921395	0	34	-1.0	-43.07	303.61	5.05	-38.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010921396	0	38	-1.0	-49.38	321.94	6.50	-42.88
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921397	0	39	-1.0	-57.13	330.19	3.16	-53.97
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921398	0	37	-1.0	-37.85	311.75	5.68	-32.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010921399	0	34	-1.0	-58.97	285.43	5.88	-53.09
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921400	0	39	-1.0	-54.81	345.18	5.72	-49.09
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921401	0	39	-1.0	-47.71	326.75	4.61	-43.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C=C1F	REAL300010921402	0	32	-1.0	-40.91	279.34	4.25	-36.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010921403	0	32	-1.0	-42.83	285.83	4.46	-38.37
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010921404	0	38	-1.0	-47.90	319.87	3.58	-44.32
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010921405	0	41	-1.0	-46.06	324.87	6.53	-39.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921406	0	47	-1.0	-43.67	359.78	7.31	-36.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010921407	0	32	-1.0	-40.42	307.30	5.38	-35.04
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010921408	0	32	-1.0	-40.19	288.09	4.52	-35.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010921409	0	32	-1.0	-41.56	299.18	5.33	-36.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010921410	0	35	-1.0	-41.06	314.80	5.40	-35.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010921411	0	35	-1.0	-45.04	294.51	4.96	-40.08
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010921412	0	35	-1.0	-43.47	327.72	5.81	-37.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010921413	0	32	-1.0	-46.73	292.11	4.92	-41.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010921414	0	35	-1.0	-41.67	321.11	5.76	-35.91
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921415	0	37	-1.0	-51.87	315.84	4.77	-47.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010921416	0	32	-1.0	-40.24	297.97	4.97	-35.27
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921417	0	37	-1.0	-58.63	316.65	4.81	-53.82
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300010921418	0	41	-1.0	-54.70	351.76	3.44	-51.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010921419	0	31	-1.0	-41.70	302.50	3.49	-38.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010921420	0	35	-1.0	-49.33	305.22	4.77	-44.56
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921421	0	36	-1.0	-44.32	298.79	3.69	-40.63
COC(=O)C1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010921422	0	41	-1.0	-55.86	357.24	6.95	-48.91
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921423	0	41	-1.0	-51.08	352.36	5.83	-45.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010921424	0	39	-1.0	-46.05	310.52	5.82	-40.23
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300010921425	0	42	-1.0	-48.62	357.36	6.21	-42.41
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300010921426	0	43	-1.0	-68.35	354.56	5.45	-62.90
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921427	0	33	-1.0	-54.18	305.38	4.67	-49.51
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921428	0	36	-1.0	-39.16	302.77	5.48	-33.68
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010921429	0	46	-1.0	-50.67	377.36	4.11	-46.56
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300010921430	0	40	-1.0	-45.28	349.17	5.50	-39.78
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010921431	0	37	-1.0	-41.93	319.98	5.57	-36.36
COC(=O)C1=COC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921432	0	35	-1.0	-51.44	315.36	3.12	-48.32
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921433	0	43	-1.0	-52.39	363.12	5.18	-47.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010921434	0	34	-1.0	-47.57	307.38	3.89	-43.68
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921435	0	42	-1.0	-53.23	341.69	4.49	-48.74
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300010921436	0	33	-1.0	-50.18	295.82	3.43	-46.75
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010921437	0	42	-1.0	-60.75	342.76	4.02	-56.73
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300010921438	0	44	-1.0	-49.81	349.96	4.98	-44.83
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300010921439	0	34	-1.0	-46.90	306.11	3.59	-43.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010921440	0	38	-1.0	-48.04	326.69	3.42	-44.62
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921441	0	41	-1.0	-45.84	348.51	6.03	-39.81
CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C#N	REAL300010921442	0	36	-1.0	-55.74	308.39	4.96	-50.78
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300010921443	0	40	-1.0	-49.95	334.97	2.84	-47.11
CN1C=NC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921444	0	38	-1.0	-59.39	323.63	5.75	-53.64
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300010921445	0	44	-1.0	-48.26	352.36	6.97	-41.29
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921446	0	40	-1.0	-41.61	331.66	6.54	-35.07
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C)O1	REAL300010921447	0	38	-1.0	-39.72	328.13	3.77	-35.95
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921448	0	33	-1.0	-39.12	292.07	2.37	-36.75
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921449	0	34	-1.0	-53.75	300.32	3.27	-50.48
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300010921450	0	38	-1.0	-43.89	322.81	5.73	-38.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010921451	0	40	-1.0	-51.83	335.63	2.68	-49.15
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010921452	0	39	-1.0	-46.33	336.70	4.50	-41.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010921453	0	32	-1.0	-42.48	296.13	4.90	-37.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010921454	0	31	-1.0	-42.64	287.14	3.10	-39.54
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921455	0	43	-1.0	-51.03	357.82	6.21	-44.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010921456	0	35	-1.0	-42.32	321.35	5.66	-36.66
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300010921457	0	37	-1.0	-49.61	318.83	0.40	-49.21
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921458	0	35	-1.0	-40.65	300.20	5.52	-35.13
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921459	0	43	-1.0	-58.91	333.90	4.66	-54.25
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010921460	0	40	-1.0	-51.86	338.96	1.90	-49.96
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300010921461	0	42	-1.0	-46.46	332.89	5.16	-41.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300010921462	0	40	-1.0	-45.77	342.24	4.01	-41.76
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921463	0	41	-1.0	-44.69	354.43	5.77	-38.92
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010921464	0	43	-1.0	-49.48	348.57	4.46	-45.02
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921465	0	41	-1.0	-49.59	351.37	5.68	-43.91
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300010921466	0	38	-1.0	-43.55	335.57	4.10	-39.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010921467	0	43	-1.0	-50.49	359.60	8.52	-41.97
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921468	0	42	-1.0	-48.77	361.25	5.31	-43.46
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921469	0	45	-1.0	-48.93	382.21	5.46	-43.47
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921470	0	42	-1.0	-43.52	333.06	5.04	-38.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010921471	0	36	-1.0	-46.40	313.75	4.78	-41.62
CCOC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921472	0	40	-1.0	-46.42	338.59	4.43	-41.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010921473	0	35	-1.0	-49.06	310.56	6.29	-42.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010921474	0	34	-1.0	-51.60	308.32	6.44	-45.16
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921475	0	37	-1.0	-58.57	301.23	6.61	-51.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010921476	0	34	-1.0	-40.34	311.36	5.60	-34.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Br)C=CS1	REAL300010921477	0	29	-1.0	-42.22	281.87	3.69	-38.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010921478	0	36	-1.0	-47.19	307.90	4.58	-42.61
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010921479	0	40	-1.0	-52.01	320.48	5.53	-46.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010921480	0	34	-1.0	-43.30	311.37	3.59	-39.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300010921481	0	40	-1.0	-45.13	333.01	3.35	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010921482	0	37	-1.0	-51.14	305.29	4.73	-46.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010921483	0	31	-1.0	-38.63	286.11	3.08	-35.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010921484	0	34	-1.0	-39.43	301.18	4.84	-34.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010921485	0	34	-1.0	-39.80	319.77	5.53	-34.27
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921486	0	41	-1.0	-52.04	353.93	2.85	-49.19
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010921487	0	37	-1.0	-61.68	319.68	5.41	-56.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010921488	0	34	-1.0	-59.15	299.23	6.22	-52.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010921489	0	34	-1.0	-39.42	309.98	5.15	-34.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010921490	0	39	-1.0	-48.23	346.32	5.07	-43.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010921491	0	34	-1.0	-50.96	306.26	6.52	-44.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010921492	0	46	-1.0	-47.52	386.65	7.66	-39.86
CC1(C)C2CCC1(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C(=O)C2	REAL300010921493	0	47	-1.0	-57.21	349.92	6.75	-50.46
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921494	0	40	-1.0	-48.67	339.72	0.74	-47.93
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921495	0	40	-1.0	-58.69	338.46	5.67	-53.02
CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921496	0	45	-1.0	-48.00	357.81	2.98	-45.02
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010921497	0	41	-1.0	-50.97	354.52	5.61	-45.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010921498	0	42	-1.0	-46.23	362.64	5.82	-40.41
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921499	0	54	-1.0	-43.44	407.70	7.17	-36.27
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921500	0	40	-1.0	-50.24	350.93	0.90	-49.34
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300010921501	0	35	-1.0	-46.15	302.96	5.10	-41.05
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921502	0	38	-1.0	-59.38	340.45	1.95	-57.43
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1F	REAL300010921503	0	35	-1.0	-42.09	300.02	4.93	-37.16
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921504	0	39	-1.0	-44.54	338.46	5.86	-38.68
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921505	0	44	-1.0	-49.27	366.12	5.94	-43.33
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2F)N=C1	REAL300010921506	0	42	-1.0	-46.77	358.98	6.26	-40.51
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921507	0	39	-1.0	-48.16	351.46	4.25	-43.91
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921508	0	39	-1.0	-51.50	339.74	-0.86	-52.36
CC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921509	0	35	-1.0	-45.78	303.16	5.07	-40.71
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921510	0	37	-1.0	-37.40	325.68	6.01	-31.39
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010921511	0	38	-1.0	-45.73	329.09	5.68	-40.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010921512	0	29	-1.0	-47.49	301.27	4.65	-42.84
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010921513	0	44	-1.0	-48.35	364.98	6.26	-42.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300010921514	0	32	-1.0	-51.97	282.54	4.37	-47.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010921515	0	32	-1.0	-42.56	294.32	4.81	-37.75
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010921516	0	38	-1.0	-46.58	330.20	5.91	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010921517	0	38	-1.0	-48.16	343.37	5.10	-43.06
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300010921518	0	40	-1.0	-50.42	341.69	4.14	-46.28
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921519	0	39	-1.0	-50.74	342.52	4.87	-45.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010921520	0	35	-1.0	-45.36	324.24	5.64	-39.72
CC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300010921521	0	36	-1.0	-44.39	315.14	1.38	-43.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010921522	0	41	-1.0	-47.93	356.94	7.23	-40.70
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010921523	0	34	-1.0	-43.30	311.37	3.59	-39.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010921524	0	34	-1.0	-36.80	311.38	5.60	-31.20
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921525	0	38	-1.0	-47.40	317.66	5.94	-41.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010921526	0	35	-1.0	-51.24	311.19	5.43	-45.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010921527	0	44	-1.0	-56.84	372.88	2.98	-53.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010921528	0	39	-1.0	-43.16	345.62	4.90	-38.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010921529	0	32	-1.0	-41.46	303.74	5.44	-36.02
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300010921530	0	40	-1.0	-48.27	342.38	1.77	-46.50
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921531	0	41	-1.0	-48.60	356.58	6.02	-42.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010921532	0	40	-1.0	-55.72	329.89	5.21	-50.51
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010921533	0	35	-1.0	-44.29	332.00	6.29	-38.00
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010921534	0	38	-1.0	-42.42	340.67	7.23	-35.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300010921535	0	35	-1.0	-47.03	324.74	6.14	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010921536	0	38	-1.0	-49.76	321.23	7.24	-42.52
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010921537	0	38	-1.0	-53.56	331.89	7.15	-46.41
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010921538	0	46	-1.0	-50.78	388.86	6.64	-44.14
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921539	0	38	-1.0	-51.69	340.48	1.96	-49.73
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921540	0	45	-1.0	-51.81	381.93	5.91	-45.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010921541	0	43	-1.0	-49.34	375.88	1.46	-47.88
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921542	1	33	-1.0	-41.90	302.96	5.01	-36.89
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300010921543	0	43	-1.0	-46.06	349.99	5.05	-41.01
CN1C(Cl)=NC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921544	0	32	-1.0	-41.88	290.52	3.36	-38.52
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921545	0	37	-1.0	-35.50	324.21	6.05	-29.45
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1Cl	REAL300010921546	0	32	-1.0	-46.14	294.34	3.19	-42.95
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921547	0	35	-1.0	-64.78	318.08	5.05	-59.73
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921548	0	38	-1.0	-48.66	328.22	6.36	-42.30
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921549	0	44	-1.0	-52.48	349.59	4.76	-47.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010921550	0	37	-1.0	-47.93	311.30	4.26	-43.67
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921551	0	38	-1.0	-53.13	336.09	1.93	-51.20
CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921552	0	46	-1.0	-54.07	366.14	4.90	-49.17
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921553	0	40	-1.0	-53.27	324.90	6.20	-47.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010921554	0	35	-1.0	-57.59	302.34	3.55	-54.04
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921555	0	42	-1.0	-56.85	350.50	3.97	-52.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010921556	0	35	-1.0	-47.48	319.67	5.52	-41.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010921557	0	33	-1.0	-60.84	282.33	5.01	-55.83
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921558	0	41	-1.0	-59.82	342.16	6.03	-53.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010921559	0	32	-1.0	-41.41	288.81	4.88	-36.53
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921560	0	51	-1.0	-59.49	398.76	8.16	-51.33
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010921561	0	35	-1.0	-48.48	326.67	6.00	-42.48
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921562	0	39	-1.0	-53.87	346.10	3.87	-50.00
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010921563	0	40	-1.0	-47.59	329.92	4.93	-42.66
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921564	0	36	-1.0	-41.92	326.96	4.62	-37.30
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921565	0	44	-1.0	-46.90	360.10	3.26	-43.64
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300010921566	0	35	-1.0	-52.44	322.66	4.09	-48.35
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921567	0	41	-1.0	-48.13	350.61	6.84	-41.29
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010921568	0	43	-1.0	-48.64	382.19	7.75	-40.89
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300010921569	0	41	-1.0	-51.90	332.45	5.59	-46.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010921570	0	34	-1.0	-38.90	324.87	5.71	-33.19
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921571	0	36	-1.0	-44.08	326.12	5.56	-38.52
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921572	0	44	-1.0	-46.60	351.44	4.94	-41.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010921573	0	34	-1.0	-52.34	303.60	5.07	-47.27
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300010921574	0	46	-1.0	-47.73	386.86	7.92	-39.81
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921575	0	39	-1.0	-46.82	323.05	5.20	-41.62
N#CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921576	0	36	-1.0	-43.44	320.47	5.50	-37.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010921577	0	35	-1.0	-42.59	307.13	1.90	-40.69
CN1C(=O)CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921578	0	40	-1.0	-47.43	338.70	4.86	-42.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010921579	0	32	-1.0	-43.58	303.21	5.49	-38.09
COC(=O)C1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921580	0	43	-1.0	-46.16	347.10	4.18	-41.98
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921581	0	42	-1.0	-47.69	347.05	5.20	-42.49
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300010921582	0	41	-1.0	-49.18	363.32	5.62	-43.56
COCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921583	0	39	-1.0	-48.67	330.56	4.11	-44.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010921584	0	32	-1.0	-45.97	305.03	4.40	-41.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010921585	0	41	-1.0	-49.13	354.51	6.10	-43.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010921586	0	38	-1.0	-55.25	339.65	5.02	-50.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010921587	0	38	-1.0	-47.97	353.68	5.55	-42.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOCC(F)(F)F	REAL300010921588	0	35	-1.0	-46.36	314.72	2.58	-43.78
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2O1	REAL300010921589	0	37	-1.0	-50.26	316.61	1.97	-48.29
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921590	0	44	-1.0	-45.06	322.17	7.25	-37.81
CC1=CC(Br)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921592	0	32	-1.0	-43.16	301.22	4.44	-38.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010921593	0	37	-1.0	-53.52	334.16	5.17	-48.35
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921594	0	41	-1.0	-47.20	338.03	6.31	-40.89
CC1=C(Br)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300010921595	1	31	-1.0	-42.96	298.82	2.32	-40.64
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921596	0	37	-1.0	-35.50	316.27	5.70	-29.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010921597	0	36	-1.0	-47.94	328.16	3.28	-44.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010921598	0	37	-1.0	-51.83	318.30	6.16	-45.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010921599	0	40	-1.0	-49.59	340.45	6.28	-43.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010921600	0	40	-1.0	-48.27	346.36	6.49	-41.78
CC1=NN2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=NC2=C1Cl	REAL300010921601	0	37	-1.0	-47.09	332.73	4.18	-42.91
CCCN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921602	0	38	-1.0	-55.64	322.86	5.13	-50.51
CCCCCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300010921603	0	50	-1.0	-60.86	409.34	5.34	-55.52
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010921605	0	35	-1.0	-51.81	310.24	5.17	-46.64
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@H]4CCC[C@H]4C(=O)[O-])C=CC1=C23	REAL300010921606	0	43	-1.0	-47.81	354.70	6.12	-41.69
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921607	0	36	-1.0	-49.68	323.79	5.40	-44.28
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010921608	0	37	-1.0	-39.57	328.53	5.71	-33.86
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921609	0	38	-1.0	-48.74	317.89	5.93	-42.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010921610	0	46	-1.0	-58.06	380.45	5.63	-52.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010921611	0	35	-1.0	-55.93	312.31	4.23	-51.70
CC1=CC=C(Br)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921612	0	35	-1.0	-45.74	305.98	5.57	-40.17
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921613	0	35	-1.0	-46.71	303.46	5.41	-41.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010921614	0	35	-1.0	-45.46	309.36	5.08	-40.38
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921615	0	43	-1.0	-48.46	375.84	2.08	-46.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010921616	0	31	-1.0	-43.07	289.46	3.70	-39.37
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010921617	0	43	-1.0	-45.62	359.19	5.15	-40.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010921618	0	35	-1.0	-44.53	331.08	6.05	-38.48
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921619	0	40	-1.0	-72.47	357.34	2.69	-69.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010921620	0	31	-1.0	-38.79	297.54	3.35	-35.44
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1C	REAL300010921621	0	38	-1.0	-58.62	319.32	4.14	-54.48
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921622	0	37	-1.0	-44.27	326.12	3.24	-41.03
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(Cl)S1	REAL300010921623	0	35	-1.0	-47.78	337.43	1.35	-46.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010921624	0	40	-1.0	-47.74	326.76	4.95	-42.79
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921625	0	42	-1.0	-48.87	342.78	5.10	-43.77
CC1=C(C)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921626	0	35	-1.0	-45.48	310.00	4.78	-40.70
COCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921627	0	39	-1.0	-47.46	330.47	4.11	-43.35
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921628	0	41	-1.0	-52.37	357.40	3.47	-48.90
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010921629	0	43	-1.0	-59.66	345.40	11.17	-48.49
CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010921630	0	35	-1.0	-42.42	288.26	4.98	-37.44
CC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010921631	0	37	-1.0	-44.80	332.16	5.43	-39.37
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010921632	0	43	-1.0	-49.34	381.59	3.18	-46.16
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300010921633	0	45	-1.0	-51.07	373.76	7.01	-44.06
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921634	0	36	-1.0	-52.35	334.71	5.70	-46.65
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010921635	0	41	-1.0	-44.74	337.28	7.86	-36.88
CC1(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300010921636	0	41	-1.0	-44.26	321.89	2.44	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010921637	0	35	-1.0	-48.34	301.82	2.90	-45.44
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010921638	0	40	-1.0	-51.42	327.07	6.37	-45.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010921639	0	38	-1.0	-52.77	319.26	5.32	-47.45
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010921640	0	45	-1.0	-52.89	363.47	5.62	-47.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300010921641	0	44	-1.0	-47.64	347.57	1.24	-46.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010921642	0	38	-1.0	-43.09	344.43	2.31	-40.78
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921643	0	41	-1.0	-43.87	358.44	6.05	-37.82
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921644	0	39	-1.0	-45.16	313.62	4.31	-40.85
CCC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010921645	0	41	-1.0	-39.55	344.28	4.51	-35.04
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010921646	0	49	-1.0	-65.11	387.29	6.38	-58.73
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921647	0	45	-1.0	-45.54	381.34	6.52	-39.02
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300010921648	0	33	-1.0	-43.15	303.21	5.22	-37.93
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921649	0	36	-1.0	-40.95	325.96	5.35	-35.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010921650	0	39	-1.0	-50.99	319.94	4.40	-46.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010921651	0	37	-1.0	-54.79	320.99	4.33	-50.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010921652	0	52	-1.0	-46.76	391.23	5.93	-40.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010921653	0	46	-1.0	-41.73	366.42	4.55	-37.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010921654	0	43	-1.0	-48.30	369.73	5.02	-43.28
CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010921655	0	35	-1.0	-45.67	293.70	4.84	-40.83
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921656	0	38	-1.0	-44.23	324.86	1.85	-42.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010921657	0	34	-1.0	-45.53	311.33	3.55	-41.98
COC(=O)C1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300010921658	1	34	-1.0	-49.17	308.98	2.55	-46.62
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921659	0	38	-1.0	-48.74	334.17	5.03	-43.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010936001	0	34	-1.0	-43.52	303.64	4.34	-39.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010936002	0	34	-1.0	-42.90	305.01	4.58	-38.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010936003	0	31	-1.0	-42.86	273.64	3.45	-39.41
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=CO1	REAL300010936004	0	40	-1.0	-47.63	326.41	1.88	-45.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010936005	0	30	-1.0	-41.13	279.80	2.02	-39.11
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936006	0	35	-1.0	-45.16	295.51	2.85	-42.31
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C2S1	REAL300010936007	0	40	-1.0	-47.60	331.83	5.86	-41.74
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936008	0	40	-1.0	-48.34	329.06	4.35	-43.99
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N2)C=C1	REAL300010936009	0	41	-1.0	-46.74	332.98	4.68	-42.06
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936010	0	42	-1.0	-59.29	332.58	4.05	-55.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010936011	0	32	-1.0	-46.64	286.80	3.70	-42.94
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300010936012	0	45	-1.0	-49.19	349.90	3.12	-46.07
CC1CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300010936013	0	39	-1.0	-45.14	325.89	4.03	-41.11
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010936014	0	36	-1.0	-42.68	295.69	4.06	-38.62
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010936015	0	45	-1.0	-44.46	368.64	5.59	-38.87
COC(=O)C1=COC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936016	0	34	-1.0	-46.27	292.84	1.91	-44.36
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936017	0	42	-1.0	-53.86	338.85	3.63	-50.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010936018	0	33	-1.0	-45.67	284.01	2.31	-43.36
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936019	0	41	-1.0	-53.11	318.20	3.17	-49.94
CC(=O)NC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1C	REAL300010936020	0	41	-1.0	-52.73	325.91	2.67	-50.06
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936021	0	43	-1.0	-44.97	327.12	3.49	-41.48
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C1Cl	REAL300010936022	0	33	-1.0	-42.35	282.80	2.14	-40.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010936023	0	37	-1.0	-47.36	301.37	1.88	-45.48
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936024	0	40	-1.0	-44.51	324.64	4.60	-39.91
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936025	0	39	-1.0	-46.50	311.07	1.53	-44.97
CN1C=NC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936026	0	37	-1.0	-52.55	300.16	4.26	-48.29
CCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1CC	REAL300010936027	0	43	-1.0	-43.84	328.10	5.45	-38.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936028	0	39	-1.0	-42.07	307.54	5.28	-36.79
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C)O1	REAL300010936029	0	37	-1.0	-46.71	310.90	2.51	-44.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010936030	0	32	-1.0	-42.64	275.03	0.75	-41.89
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936031	0	33	-1.0	-46.52	285.38	1.81	-44.71
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(C)=C1F	REAL300010936032	0	37	-1.0	-42.51	298.94	4.28	-38.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010936033	0	39	-1.0	-55.48	310.63	1.35	-54.13
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1C	REAL300010936034	0	38	-1.0	-51.57	312.20	2.99	-48.58
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010936035	0	31	-1.0	-41.22	275.24	3.49	-37.73
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936036	0	42	-1.0	-44.96	334.67	4.78	-40.18
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010936037	0	34	-1.0	-44.90	298.46	4.31	-40.59
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(N)=O	REAL300010936038	0	36	-1.0	-47.60	293.47	-0.93	-48.53
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936039	0	34	-1.0	-42.34	286.26	4.36	-37.98
CCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936040	0	42	-1.0	-48.02	321.26	3.55	-44.47
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1C	REAL300010936041	0	39	-1.0	-47.73	315.43	0.57	-47.16
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1	REAL300010936042	0	41	-1.0	-43.59	308.76	3.76	-39.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010936043	0	39	-1.0	-47.43	326.04	2.78	-44.65
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936044	0	40	-1.0	-46.72	330.67	4.41	-42.31
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010936045	0	42	-1.0	-46.30	328.58	3.13	-43.17
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936046	0	40	-1.0	-51.62	330.74	4.43	-47.19
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])O1	REAL300010936047	0	37	-1.0	-50.08	314.74	2.92	-47.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010936048	0	42	-1.0	-45.63	335.96	7.04	-38.59
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936049	0	41	-1.0	-48.20	337.62	3.84	-44.36
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936050	0	44	-1.0	-47.53	358.57	3.99	-43.54
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936051	0	41	-1.0	-44.77	318.03	3.80	-40.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010936052	0	35	-1.0	-53.55	290.45	3.31	-50.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010936053	0	34	-1.0	-45.98	286.65	5.06	-40.92
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010936054	0	33	-1.0	-44.48	291.22	5.02	-39.46
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936055	0	36	-1.0	-48.92	282.26	5.17	-43.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010936056	0	33	-1.0	-41.14	298.02	4.43	-36.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300010936057	0	28	-1.0	-43.22	261.04	2.42	-40.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010936058	0	35	-1.0	-45.70	291.74	3.38	-42.32
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010936059	0	39	-1.0	-45.61	299.25	4.12	-41.49
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010936060	0	33	-1.0	-45.97	287.63	2.41	-43.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010936061	0	39	-1.0	-46.39	319.08	2.26	-44.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010936062	0	36	-1.0	-47.38	289.24	3.57	-43.81
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010936063	0	30	-1.0	-41.07	282.74	2.32	-38.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010936064	0	33	-1.0	-41.98	287.48	3.76	-38.22
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010936065	0	33	-1.0	-43.53	296.13	4.05	-39.48
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936066	0	40	-1.0	-50.38	334.21	1.71	-48.67
CCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010936067	0	36	-1.0	-49.17	303.00	3.66	-45.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010936068	0	33	-1.0	-49.09	287.14	4.39	-44.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010936069	0	33	-1.0	-41.65	286.73	3.65	-38.00
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010936070	0	38	-1.0	-44.89	323.01	3.63	-41.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010936071	0	33	-1.0	-45.22	290.97	4.96	-40.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010936072	0	45	-1.0	-45.54	363.00	6.21	-39.33
CC(C)(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010936073	0	46	-1.0	-49.59	331.58	5.39	-44.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010936074	0	39	-1.0	-51.64	333.02	-0.17	-51.81
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936075	0	39	-1.0	-49.40	316.18	4.29	-45.11
CCOC(=O)N1CCN(S(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936076	0	44	-1.0	-45.51	333.65	1.78	-43.73
COC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010936077	0	40	-1.0	-46.74	331.37	4.15	-42.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010936078	0	41	-1.0	-48.38	336.96	4.44	-43.94
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936079	0	53	-1.0	-43.09	385.47	6.32	-36.77
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936080	0	37	-1.0	-46.95	324.07	4.38	-42.57
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010936081	0	39	-1.0	-49.68	327.84	-0.49	-50.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010936082	0	37	-1.0	-47.97	316.14	0.41	-47.56
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(F)C=C1F	REAL300010936083	0	34	-1.0	-41.75	286.03	3.76	-37.99
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936084	0	38	-1.0	-45.82	321.67	3.90	-41.92
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936085	0	43	-1.0	-46.21	342.60	4.45	-41.76
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2F)N=C1	REAL300010936086	0	41	-1.0	-51.28	336.70	4.98	-46.30
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936087	0	38	-1.0	-46.00	326.86	1.96	-44.04
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936088	0	38	-1.0	-51.51	316.01	-2.20	-53.71
CC1=CC(F)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936089	0	34	-1.0	-43.36	285.98	3.79	-39.57
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936090	0	36	-1.0	-45.05	311.62	4.85	-40.20
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010936091	0	37	-1.0	-44.97	306.00	4.47	-40.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010936092	0	28	-1.0	-40.15	281.43	3.26	-36.89
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010936093	0	43	-1.0	-48.70	346.72	4.89	-43.81
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010936094	0	31	-1.0	-43.01	280.62	3.66	-39.35
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010936095	0	37	-1.0	-42.60	306.17	4.44	-38.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010936096	0	37	-1.0	-52.38	325.84	4.27	-48.11
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300010936097	0	39	-1.0	-46.73	318.07	2.54	-44.19
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936098	0	38	-1.0	-46.71	322.00	3.72	-42.99
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010936099	0	34	-1.0	-44.27	303.72	4.49	-39.78
CC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300010936100	0	35	-1.0	-47.91	291.46	-0.22	-48.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010936101	0	40	-1.0	-45.13	333.64	5.76	-39.37
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010936102	0	33	-1.0	-45.97	287.63	2.41	-43.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010936103	0	33	-1.0	-44.34	297.59	4.39	-39.95
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936104	0	37	-1.0	-46.84	303.32	4.51	-42.33
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010936105	0	34	-1.0	-44.90	289.47	4.19	-40.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010936106	0	43	-1.0	-58.67	348.68	1.43	-57.24
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010936107	0	38	-1.0	-43.97	321.86	3.54	-40.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010936108	0	31	-1.0	-42.35	287.34	4.17	-38.18
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300010936109	0	39	-1.0	-46.75	331.94	2.73	-44.02
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C21	REAL300010936110	0	39	-1.0	-44.06	321.37	0.29	-43.77
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1F	REAL300010936111	0	40	-1.0	-44.55	332.99	4.52	-40.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010936112	0	39	-1.0	-47.19	314.17	3.53	-43.66
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010936113	0	34	-1.0	-43.52	306.34	4.78	-38.74
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010936114	0	37	-1.0	-45.69	316.76	5.65	-40.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010936115	0	34	-1.0	-43.64	306.47	4.88	-38.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010936116	0	37	-1.0	-47.37	301.97	5.83	-41.54
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010936117	0	37	-1.0	-46.90	310.55	5.81	-41.09
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2O1	REAL300010936118	0	45	-1.0	-48.27	365.18	5.15	-43.12
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010936119	0	37	-1.0	-48.13	316.84	0.46	-47.67
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936120	0	44	-1.0	-50.09	358.63	4.47	-45.62
CC(C)(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010936121	0	42	-1.0	-49.91	352.11	0.10	-49.81
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010936122	1	32	-1.0	-44.20	279.36	3.55	-40.65
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1N(C)C	REAL300010936123	0	42	-1.0	-43.46	326.97	3.60	-39.86
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936124	0	36	-1.0	-45.83	308.81	4.76	-41.07
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010936125	0	34	-1.0	-51.35	295.97	3.70	-47.65
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936126	0	37	-1.0	-45.22	313.57	4.96	-40.26
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936127	0	43	-1.0	-46.50	327.54	3.23	-43.27
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010936128	0	37	-1.0	-52.13	313.82	0.52	-51.61
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010936129	0	47	-1.0	-47.42	370.73	0.55	-46.87
CCOC(=O)C1CCN(S(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936130	0	45	-1.0	-45.63	346.24	4.11	-41.52
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936131	0	39	-1.0	-50.50	315.07	4.29	-46.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010936132	0	46	-1.0	-52.63	373.86	2.08	-50.55
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936133	0	41	-1.0	-52.58	328.35	2.59	-49.99
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010936134	0	34	-1.0	-44.54	297.90	4.29	-40.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010936135	0	32	-1.0	-49.93	267.42	3.45	-46.48
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936136	0	40	-1.0	-49.37	320.26	4.87	-44.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010936137	0	31	-1.0	-42.82	272.44	3.62	-39.20
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936138	0	50	-1.0	-52.58	384.40	5.86	-46.72
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010936139	0	34	-1.0	-46.09	303.11	4.66	-41.43
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936140	0	38	-1.0	-47.68	329.12	2.63	-45.05
CC1CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2O1	REAL300010936141	0	39	-1.0	-44.42	308.76	3.52	-40.90
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936142	0	35	-1.0	-43.06	311.73	3.43	-39.63
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936143	0	43	-1.0	-51.04	341.79	1.87	-49.17
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CS1	REAL300010936144	0	34	-1.0	-44.94	298.34	2.62	-42.32
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936145	0	40	-1.0	-46.89	335.51	5.43	-41.46
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010936146	0	42	-1.0	-46.15	357.66	6.26	-39.89
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300010936147	0	40	-1.0	-45.73	317.59	4.28	-41.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010936148	0	33	-1.0	-41.21	301.62	4.20	-37.01
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936149	0	35	-1.0	-41.58	308.06	3.59	-37.99
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936150	0	43	-1.0	-46.81	329.89	3.34	-43.47
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010936151	0	33	-1.0	-44.84	281.34	3.67	-41.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=C1	REAL300010936152	0	45	-1.0	-45.10	363.01	6.46	-38.64
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936153	0	38	-1.0	-46.64	303.65	3.32	-43.32
CN(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010936154	0	45	-1.0	-49.51	379.96	2.08	-47.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010936155	0	34	-1.0	-48.88	283.83	0.45	-48.43
CN1C(=O)CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936156	0	39	-1.0	-46.46	314.54	3.33	-43.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010936157	0	31	-1.0	-41.87	279.53	4.02	-37.85
COC(=O)C1CCN(S(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936158	0	42	-1.0	-48.18	318.67	2.78	-45.40
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936159	0	41	-1.0	-44.38	325.49	3.82	-40.56
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C(=O)OC)S1	REAL300010936160	0	40	-1.0	-47.80	349.30	4.26	-43.54
COCC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936161	0	38	-1.0	-45.05	308.19	2.73	-42.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010936162	0	31	-1.0	-44.98	284.40	3.36	-41.62
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010936163	0	40	-1.0	-48.11	330.88	4.92	-43.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010936164	0	37	-1.0	-48.93	320.15	4.03	-44.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010936165	0	37	-1.0	-51.99	336.15	4.73	-47.26
CC(C)(CC(=O)[O-])NS(=O)(=O)CCOCC(F)(F)F	REAL300010936166	0	34	-1.0	-45.86	291.85	1.25	-44.61
CC1=NC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2O1	REAL300010936167	0	36	-1.0	-46.97	294.70	0.55	-46.42
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936168	0	43	-1.0	-43.28	310.07	6.21	-37.07
CC1=CC(Br)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936170	0	31	-1.0	-43.20	282.80	3.25	-39.95
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010936171	0	36	-1.0	-45.42	317.06	3.87	-41.55
CC1=C(Br)SC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=N1	REAL300010936172	1	30	-1.0	-40.90	278.83	1.14	-39.76
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936173	0	36	-1.0	-46.36	300.86	4.40	-41.96
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010936174	0	35	-1.0	-44.17	305.13	1.78	-42.39
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010936175	0	36	-1.0	-50.49	293.83	4.84	-45.65
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010936176	0	39	-1.0	-49.84	318.09	4.98	-44.86
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010936177	0	39	-1.0	-48.86	325.64	5.23	-43.63
CC1=NN2C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=NC2=C1Cl	REAL300010936178	0	36	-1.0	-45.66	314.90	2.95	-42.71
CCCCCCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(=O)NC1=O	REAL300010936179	0	49	-1.0	-48.16	390.16	3.61	-44.55
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010936181	0	34	-1.0	-48.28	286.56	3.83	-44.45
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC1=C23	REAL300010936182	0	42	-1.0	-48.00	339.14	4.90	-43.10
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010936183	0	35	-1.0	-47.13	302.02	4.16	-42.97
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010936184	0	36	-1.0	-46.80	304.80	4.24	-42.56
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936185	0	37	-1.0	-45.24	303.25	4.51	-40.73
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(OC)=C1	REAL300010936186	0	46	-1.0	-52.03	376.71	0.40	-51.63
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936187	1	46	-1.0	-46.10	366.57	0.01	-46.09
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936188	0	45	-1.0	-46.12	372.84	1.35	-44.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010936189	0	45	-1.0	-46.59	357.29	4.08	-42.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010936190	0	34	-1.0	-59.57	289.66	2.76	-56.81
CC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936191	0	34	-1.0	-43.82	291.22	4.42	-39.40
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936192	0	34	-1.0	-44.04	287.67	4.25	-39.79
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010936193	0	34	-1.0	-44.43	288.83	3.93	-40.50
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936194	0	42	-1.0	-46.32	351.34	0.55	-45.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010936195	0	30	-1.0	-44.15	268.28	2.25	-41.90
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C12	REAL300010936196	0	42	-1.0	-45.72	339.56	4.01	-41.71
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010936197	0	34	-1.0	-43.13	310.66	4.90	-38.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010936198	0	39	-1.0	-56.47	336.81	1.21	-55.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010936199	0	31	-1.0	-40.85	285.11	4.37	-36.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010936200	0	30	-1.0	-40.82	278.73	2.14	-38.68
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936201	0	36	-1.0	-45.31	302.80	1.65	-43.66
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010936202	0	34	-1.0	-50.74	322.49	0.12	-50.62
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936203	0	50	-1.0	-50.41	405.65	3.81	-46.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010936204	0	39	-1.0	-44.92	306.81	3.63	-41.29
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936205	0	41	-1.0	-44.29	321.17	3.73	-40.56
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936206	0	45	-1.0	-51.06	386.12	0.47	-50.59
COCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936207	0	38	-1.0	-44.56	307.17	2.66	-41.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010936208	0	40	-1.0	-52.09	341.45	2.83	-49.26
CC(C)(CC(=O)[O-])NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010936209	0	42	-1.0	-46.69	334.98	9.83	-36.86
CC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1Cl	REAL300010936210	0	34	-1.0	-44.37	285.03	4.17	-40.20
CC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300010936211	0	36	-1.0	-44.29	310.84	4.03	-40.26
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010936212	0	42	-1.0	-47.34	356.24	1.88	-45.46
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)CC1	REAL300010936213	0	44	-1.0	-47.44	350.43	5.53	-41.91
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010936214	0	35	-1.0	-45.55	310.76	4.49	-41.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010936215	0	40	-1.0	-51.15	318.74	6.70	-44.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010936216	0	34	-1.0	-46.18	277.80	1.58	-44.60
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010936217	0	39	-1.0	-52.64	305.00	4.89	-47.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010936218	0	37	-1.0	-49.57	301.05	4.39	-45.18
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010936219	0	44	-1.0	-53.24	345.50	4.34	-48.90
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300010936220	0	43	-1.0	-45.68	325.85	0.03	-45.65
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010936221	0	37	-1.0	-43.22	320.28	0.89	-42.33
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936222	0	40	-1.0	-43.78	335.07	4.58	-39.20
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936223	0	38	-1.0	-43.74	299.10	3.02	-40.72
CCC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010936224	0	40	-1.0	-46.03	332.15	3.29	-42.74
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010936225	0	48	-1.0	-54.32	368.37	4.93	-49.39
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936226	0	44	-1.0	-45.00	363.32	4.57	-40.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010936227	0	32	-1.0	-42.96	286.98	3.99	-38.97
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936228	0	35	-1.0	-43.62	309.07	3.39	-40.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010936229	0	38	-1.0	-57.13	298.92	3.50	-53.63
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010936230	0	36	-1.0	-48.25	299.27	3.11	-45.14
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010936231	0	51	-1.0	-52.44	371.21	4.67	-47.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010936232	0	45	-1.0	-47.54	346.02	3.29	-44.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010936233	0	42	-1.0	-48.25	351.39	3.81	-44.44
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936234	0	37	-1.0	-43.86	300.70	0.43	-43.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010936235	0	33	-1.0	-42.06	286.26	2.15	-39.91
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])SC=N1	REAL300010936236	1	33	-1.0	-46.62	287.01	1.33	-45.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936237	0	37	-1.0	-44.12	313.21	3.66	-40.46
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1F	REAL300010936239	0	38	-1.0	-44.45	304.16	3.20	-41.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010936240	0	38	-1.0	-47.40	316.13	3.46	-43.94
COC(=O)C1CCCCC1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936241	0	43	-1.0	-49.02	323.24	4.59	-44.43
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936242	0	46	-1.0	-46.20	351.02	4.20	-42.00
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936243	0	39	-1.0	-44.42	324.64	5.08	-39.34
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936244	0	38	-1.0	-52.70	308.04	1.78	-50.92
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936245	0	39	-1.0	-43.39	313.42	5.00	-38.39
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010936246	0	36	-1.0	-45.60	311.31	3.47	-42.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010936247	0	31	-1.0	-41.87	279.53	4.02	-37.85
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010936248	0	33	-1.0	-49.56	269.65	4.37	-45.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010936249	0	28	-1.0	-43.76	257.35	1.91	-41.85
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300010936250	0	41	-1.0	-52.01	307.89	3.96	-48.05
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010936251	0	33	-1.0	-44.84	281.34	3.67	-41.17
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936252	0	35	-1.0	-43.33	302.53	2.84	-40.49
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1C	REAL300010936253	0	41	-1.0	-51.41	334.06	3.92	-47.49
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010936254	0	44	-1.0	-52.59	363.70	4.13	-48.46
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300010936255	0	38	-1.0	-47.20	312.95	0.52	-46.68
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010936256	0	43	-1.0	-46.35	334.36	4.27	-42.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010936257	0	31	-1.0	-46.57	269.98	3.75	-42.82
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(Cl)=N1	REAL300010936258	0	33	-1.0	-44.66	283.02	2.33	-42.33
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936259	0	36	-1.0	-45.01	302.69	3.18	-41.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010936260	0	38	-1.0	-46.53	318.89	4.18	-42.35
CSC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936261	0	35	-1.0	-45.14	306.96	4.39	-40.75
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936262	0	33	-1.0	-42.26	290.10	3.21	-39.05
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936263	0	41	-1.0	-53.03	336.11	-0.42	-53.45
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C1Cl	REAL300010936264	0	34	-1.0	-42.53	293.59	0.89	-41.64
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936265	0	40	-1.0	-50.04	328.01	3.91	-46.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010936266	0	46	-1.0	-44.89	364.80	3.33	-41.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010936267	0	30	-1.0	-42.51	272.31	2.73	-39.78
CC1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936269	0	37	-1.0	-44.95	302.58	4.46	-40.49
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936270	0	34	-1.0	-42.26	290.82	4.46	-37.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010936271	0	35	-1.0	-50.00	291.72	2.99	-47.01
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010936272	0	31	-1.0	-41.94	280.57	3.71	-38.23
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936273	0	39	-1.0	-49.84	307.24	3.26	-46.58
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300010936274	0	58	-1.0	-45.81	439.28	7.41	-38.40
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010936275	0	40	-1.0	-45.03	311.38	4.25	-40.78
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936276	0	45	-1.0	-47.45	375.66	4.09	-43.36
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010936277	0	32	-1.0	-44.89	286.82	3.95	-40.94
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010936278	0	34	-1.0	-50.67	294.93	1.95	-48.72
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010936279	0	46	-1.0	-50.96	354.68	3.86	-47.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010936280	0	37	-1.0	-43.91	319.54	5.78	-38.13
COC(=O)CCCCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936281	0	42	-1.0	-49.56	335.97	3.91	-45.65
CN1N=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C21	REAL300010936282	0	36	-1.0	-46.96	296.11	1.94	-45.02
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936283	0	39	-1.0	-49.59	318.88	1.11	-48.48
COCC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300010938001	0	49	-1.0	-49.39	388.06	7.47	-41.92
COCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300010938002	0	43	-1.0	-64.35	366.23	3.48	-60.87
COCC1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300010938003	0	48	-1.0	-64.52	371.80	1.91	-62.61
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300010938004	0	48	-1.0	-53.28	390.47	6.04	-47.24
COCCC1(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300010938005	0	46	-1.0	-48.07	346.40	4.18	-43.89
CCN1N=CC(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300010938006	0	41	-1.0	-54.35	338.18	2.02	-52.33
COCC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300010938007	0	52	-1.0	-59.27	385.81	6.44	-52.83
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300010938008	0	43	-1.0	-55.44	362.05	5.75	-49.69
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2C(=O)OC)CC1	REAL300010938009	0	50	-1.0	-51.27	375.35	5.65	-45.62
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)CC1	REAL300010938010	0	42	-1.0	-61.08	363.55	5.89	-55.19
COCC1(C(=O)[O-])CCN(S(=O)(=O)C(C)=CC2=CC=C(OC)C=C2)CC1	REAL300010938011	0	50	-1.0	-52.76	396.34	5.50	-47.26
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CO2)CC1	REAL300010938012	0	39	-1.0	-52.28	322.06	3.81	-48.47
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)O2)CC1	REAL300010938013	0	39	-1.0	-52.63	322.07	3.96	-48.67
CCC1=NNC=C1S(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300010938014	0	42	-1.0	-56.33	332.30	1.87	-54.46
COCC1(C(=O)[O-])CCN(S(=O)(=O)NCC2=CC=CC(C)=C2)CC1	REAL300010938015	0	47	-1.0	-56.41	378.74	4.33	-52.08
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=NN1	REAL300010938016	0	45	-1.0	-53.62	377.67	2.96	-50.66
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(OC)C(OC)=CS2)CC1	REAL300010938017	0	44	-1.0	-52.94	367.33	3.87	-49.07
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)OC)=C(Cl)O2)CC1	REAL300010938018	0	42	-1.0	-52.65	372.05	4.44	-48.21
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300010938019	0	51	-1.0	-48.76	377.98	5.59	-43.17
COCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC2=CC=CC=C2)CC1	REAL300010938020	0	50	-1.0	-50.09	397.99	6.92	-43.17
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(OC)C=C2F)CC1	REAL300010938021	0	43	-1.0	-51.66	355.92	4.60	-47.06
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300010938022	0	43	-1.0	-57.88	363.60	4.72	-53.16
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)CC1	REAL300010938023	0	45	-1.0	-55.92	358.66	4.98	-50.94
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)CC1	REAL300010938024	0	42	-1.0	-47.75	343.79	6.38	-41.37
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010938025	0	36	-1.0	-52.06	343.31	4.53	-47.53
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N(C)N=C2)CC1	REAL300010938026	0	39	-1.0	-50.64	329.88	2.91	-47.73
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)CC1	REAL300010938027	0	44	-1.0	-58.99	370.88	5.11	-53.88
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC[C@H]2C(=O)OC)CC1	REAL300010938028	0	47	-1.0	-52.23	374.14	4.58	-47.65
COCC1(C(=O)[O-])CCN(C(=O)N2CCC(OC(C)=O)C2)CC1	REAL300010938029	0	46	-1.0	-56.87	351.35	5.72	-51.15
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)CC1	REAL300010938030	0	45	-1.0	-54.79	350.77	6.83	-47.96
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)C=CO2)CC1	REAL300010938031	0	37	-1.0	-51.11	321.65	3.61	-47.50
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NNC=C2C(=O)OC)CC1	REAL300010938032	0	42	-1.0	-57.43	345.31	2.66	-54.77
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C=C2C)CC1	REAL300010938033	0	41	-1.0	-49.69	333.22	4.14	-45.55
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300010938034	0	50	-1.0	-53.18	401.58	6.64	-46.54
CCN1C=C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300010938035	0	49	-1.0	-54.53	380.74	5.40	-49.13
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)CC1	REAL300010938036	0	43	-1.0	-61.28	351.49	3.54	-57.74
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300010938037	0	45	-1.0	-51.61	380.58	7.81	-43.80
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(OC(C)=O)C2)CC1	REAL300010938038	0	47	-1.0	-51.64	377.25	4.33	-47.31
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)CC1	REAL300010938039	0	52	-1.0	-50.59	401.27	6.16	-44.43
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)OC=C2)CC1	REAL300010938040	0	36	-1.0	-54.89	313.45	2.78	-52.11
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)CC1	REAL300010938041	0	36	-1.0	-48.96	326.29	4.66	-44.30
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300010938042	0	45	-1.0	-56.28	370.19	7.58	-48.70
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3COCCC3=NN2C)CC1	REAL300010938043	0	47	-1.0	-54.97	364.52	2.72	-52.25
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300010938044	0	46	-1.0	-57.02	352.03	6.08	-50.94
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)(C)CC2)CC1	REAL300010938045	0	50	-1.0	-54.95	371.01	5.13	-49.82
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(CO)CC2)CC1	REAL300010938046	0	48	-1.0	-50.44	363.24	1.34	-49.10
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2OC)CC1	REAL300010938047	0	42	-1.0	-50.75	355.17	2.77	-47.98
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(OC)C(C)=C2)CC1	REAL300010938048	0	45	-1.0	-52.49	365.26	2.44	-50.05
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(C)C)N=C2)CC1	REAL300010938049	0	48	-1.0	-57.77	385.65	4.55	-53.22
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)N=C2C)CC1	REAL300010938050	0	48	-1.0	-56.66	376.50	3.79	-52.87
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300010938051	0	38	-1.0	-52.71	344.81	3.14	-49.57
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300010938052	0	49	-1.0	-56.67	373.68	2.45	-54.22
COCC1=CC(CS(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=NO1	REAL300010938053	0	45	-1.0	-63.63	372.60	2.31	-61.32
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)OC=C2)CC1	REAL300010938054	0	37	-1.0	-54.05	314.64	3.29	-50.76
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)C=CS2)CC1	REAL300010938055	0	37	-1.0	-62.36	328.74	3.78	-58.58
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010938056	0	37	-1.0	-52.01	330.49	2.95	-49.06
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NC(C)=O)S2)CC1	REAL300010938057	0	43	-1.0	-58.03	365.62	3.18	-54.85
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)SC(C)=C2C)CC1	REAL300010938058	0	45	-1.0	-49.94	354.43	6.26	-43.68
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NNN=C2)CC1	REAL300010938059	0	35	-1.0	-52.86	293.31	0.09	-52.77
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010938060	0	38	-1.0	-53.34	322.64	3.82	-49.52
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC=C2OC)CC1	REAL300010938061	0	42	-1.0	-58.08	338.57	2.40	-55.68
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC=C2C)CC1	REAL300010938062	0	41	-1.0	-56.63	320.17	3.01	-53.62
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300010938063	0	41	-1.0	-52.17	352.37	4.26	-47.91
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC(OC)=C2Cl)CC1	REAL300010938064	0	42	-1.0	-53.66	347.27	1.87	-51.79
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2NC(C)=O)CC1	REAL300010938065	0	46	-1.0	-63.12	373.29	3.14	-59.98
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)CC1	REAL300010938066	0	50	-1.0	-53.40	389.86	5.55	-47.85
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C(C)C)CC1	REAL300010938067	0	45	-1.0	-55.94	361.14	3.65	-52.29
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)CC1	REAL300010938068	0	47	-1.0	-57.00	369.40	5.38	-51.62
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C(=O)OC)C(C)=C2)CC1	REAL300010938069	0	47	-1.0	-53.70	384.73	4.39	-49.31
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])CC1	REAL300010938070	0	42	-1.0	-67.16	359.64	6.64	-60.52
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1	REAL300010938071	0	46	-1.0	-52.34	361.93	5.15	-47.19
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300010938072	0	46	-1.0	-54.89	372.61	6.41	-48.48
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300010938073	0	41	-1.0	-54.30	347.54	4.17	-50.13
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1	REAL300010938074	0	44	-1.0	-61.19	353.33	4.81	-56.38
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)CC1	REAL300010938075	0	48	-1.0	-58.23	375.76	3.85	-54.38
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)CC1	REAL300010938076	0	46	-1.0	-54.13	377.80	7.21	-46.92
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)CC1	REAL300010938077	0	41	-1.0	-51.06	345.28	4.05	-47.01
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300010938078	0	39	-1.0	-49.92	334.67	5.54	-44.38
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=C2CCCN3)CC1	REAL300010938079	0	51	-1.0	-55.53	379.31	5.60	-49.93
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)CC1	REAL300010938080	0	46	-1.0	-58.44	379.74	6.67	-51.77
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2Br)CC1	REAL300010938081	0	36	-1.0	-54.67	319.15	3.64	-51.03
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)CC1	REAL300010938082	0	43	-1.0	-54.28	363.29	5.44	-48.84
COCC1(C(=O)[O-])CCN(C(=O)N2CCOCC2(C)C)CC1	REAL300010938083	0	47	-1.0	-53.63	334.29	5.58	-48.05
COCC1(C(=O)[O-])CCN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300010938084	0	47	-1.0	-53.78	344.63	5.64	-48.14
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(O)=C2)CC1	REAL300010938085	0	40	-1.0	-53.36	328.96	2.16	-51.20
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300010938086	0	44	-1.0	-56.30	350.31	5.48	-50.82
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)OC)CC1	REAL300010938087	0	48	-1.0	-54.58	378.79	7.05	-47.53
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(C)C=C2C)CC1	REAL300010938088	0	44	-1.0	-53.30	345.70	4.51	-48.79
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)CC1	REAL300010938089	0	42	-1.0	-52.77	350.60	5.92	-46.85
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300010938090	0	38	-1.0	-50.40	334.26	3.83	-46.57
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC=C2C)CC1	REAL300010938091	0	41	-1.0	-50.50	316.54	3.64	-46.86
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSN=C2)CC1	REAL300010938092	0	35	-1.0	-51.23	303.59	2.63	-48.60
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010938093	0	41	-1.0	-54.05	334.27	4.24	-49.81
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300010938094	0	42	-1.0	-54.63	350.01	4.76	-49.87
COCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)CC1	REAL300010938095	0	47	-1.0	-63.81	376.32	0.26	-63.55
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300010938096	0	46	-1.0	-50.22	349.24	3.11	-47.11
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C#N)CC2)CC1	REAL300010938097	0	45	-1.0	-51.44	356.20	4.49	-46.95
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)CC1	REAL300010938098	0	43	-1.0	-62.50	365.36	4.42	-58.08
COCC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300010938099	0	43	-1.0	-56.64	356.56	5.68	-50.96
COCC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)CC1	REAL300010938100	0	43	-1.0	-56.20	366.88	6.14	-50.06
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(P(C)(C)=O)=C2)CC1	REAL300010938101	0	48	-1.0	-58.40	398.07	4.60	-53.80
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=CC=N2)CC1	REAL300010938102	0	42	-1.0	-54.49	343.06	2.57	-51.92
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)CC1	REAL300010938103	0	46	-1.0	-50.21	365.48	7.37	-42.84
C=CCN(CC=C)S(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300010938104	0	45	-1.0	-48.73	359.09	4.89	-43.84
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)CC1	REAL300010938105	0	42	-1.0	-53.02	354.97	6.36	-46.66
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=C2C(F)F)CC1	REAL300010938106	0	46	-1.0	-48.74	364.21	5.49	-43.25
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C=N2)CC1	REAL300010938107	0	42	-1.0	-53.89	342.88	2.52	-51.37
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C)CC1	REAL300010938108	0	41	-1.0	-53.72	322.79	3.84	-49.88
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC=C2C(=O)OC)CC1	REAL300010938109	0	44	-1.0	-65.40	361.01	4.41	-60.99
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2C(=O)OC)CC1	REAL300010938110	0	45	-1.0	-67.72	364.72	6.37	-61.35
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300010938111	0	44	-1.0	-51.64	347.96	5.56	-46.08
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300010938112	0	45	-1.0	-56.08	362.37	4.44	-51.64
COCC1(C(=O)[O-])CCN(C(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300010938113	0	47	-1.0	-54.44	348.75	8.68	-45.76
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)CC1	REAL300010938114	0	47	-1.0	-56.64	369.28	6.76	-49.88
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010938115	0	35	-1.0	-48.13	322.61	3.22	-44.91
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC(C)=C2)CC1	REAL300010938116	0	41	-1.0	-55.33	334.91	3.93	-51.40
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=NC(C)=C2)CC1	REAL300010938117	0	44	-1.0	-52.31	356.34	4.49	-47.82
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(F)(F)C2)CC1	REAL300010938118	0	41	-1.0	-52.40	334.41	3.63	-48.77
COCC1(C(=O)[O-])CCN(C(=O)N(C)C2=CC=CC=C2)CC1	REAL300010938119	0	43	-1.0	-50.98	316.44	7.63	-43.35
COCC1(C(=O)[O-])CCN(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300010938120	0	44	-1.0	-54.63	333.99	7.03	-47.60
COCC1(C(=O)[O-])CCN(C(=O)N(C)CCC2=CC=CC=C2)CC1	REAL300010938121	0	49	-1.0	-52.06	369.87	9.22	-42.84
COCC1(C(=O)[O-])CCN(C(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300010938122	0	46	-1.0	-57.28	351.28	6.91	-50.37
COCC1(C(=O)[O-])CCN(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300010938123	0	50	-1.0	-53.92	354.79	7.97	-45.95
COCC1(C(=O)[O-])CCN(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1	REAL300010938124	0	53	-1.0	-52.82	355.45	7.56	-45.26
COCC1(C(=O)[O-])CCN(C(=O)N2CCC(F)(F)C2)CC1	REAL300010938125	0	40	-1.0	-55.46	308.39	5.16	-50.30
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(Cl)C=C2C)CC1	REAL300010938126	0	41	-1.0	-51.27	339.37	4.35	-46.92
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C(F)F)CC1	REAL300010938127	0	41	-1.0	-53.07	335.22	4.16	-48.91
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)SC(Cl)=C2)CC1	REAL300010938128	0	39	-1.0	-47.78	332.27	5.17	-42.61
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CS2)CC1	REAL300010938129	0	35	-1.0	-51.26	304.54	2.14	-49.12
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300010938130	0	41	-1.0	-55.22	345.82	4.14	-51.08
COCC1(C(=O)[O-])CCN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)CC1	REAL300010938131	0	56	-1.0	-53.15	380.97	8.57	-44.58
COCC1(C(=O)[O-])CCN(C(=O)N2CC[C@H](OC)C2)CC1	REAL300010938132	0	44	-1.0	-55.54	328.58	4.71	-50.83
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)CC1	REAL300010938133	0	52	-1.0	-51.67	397.49	7.08	-44.59
COCC1(C(=O)[O-])CCN(C(=O)N2CCC(C)(C)CC2)CC1	REAL300010938134	0	49	-1.0	-53.18	344.24	6.83	-46.35
CCN(C(=O)N1CCC(COC)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300010938135	0	46	-1.0	-50.34	333.14	8.45	-41.89
COCC1(C(=O)[O-])CCN(C(=O)N2CCCC3=CC=CC=C32)CC1	REAL300010938136	0	47	-1.0	-52.42	342.22	8.98	-43.44
COCC1(C(=O)[O-])CCN(C(=O)N2CCOC(C3CC3)C2)CC1	REAL300010938137	0	48	-1.0	-53.50	354.96	6.46	-47.04
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2O)CC1	REAL300010938138	0	43	-1.0	-50.34	337.84	3.97	-46.37
O=C([O-])C12CC(NS(=O)(=O)C3=C(Br)C4=CC=CC=C4C=C3)(C1)C2	REAL300010938139	0	36	-1.0	-49.40	331.18	6.78	-42.62
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CN=C3Cl)(C1)C2	REAL300010938140	0	29	-1.0	-48.39	280.24	2.53	-45.86
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Br)=C3)(C1)C2	REAL300010938141	0	30	-1.0	-46.34	287.76	4.23	-42.11
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3Br)(C1)C2	REAL300010938142	0	30	-1.0	-48.01	288.46	4.56	-43.45
CC1=CC(C)=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938143	0	42	-1.0	-48.41	331.68	6.52	-41.89
COC(=O)CC1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938144	0	39	-1.0	-50.54	333.32	4.21	-46.33
COC(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938145	0	36	-1.0	-52.00	316.08	5.31	-46.69
CCOC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938146	0	39	-1.0	-48.61	343.00	5.17	-43.44
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Cl)=C3Cl)(C1)C2	REAL300010938147	0	30	-1.0	-47.10	300.26	4.85	-42.25
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938148	0	36	-1.0	-60.55	321.98	4.35	-56.20
CC(C)(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938149	0	42	-1.0	-48.33	342.59	5.91	-42.42
CC(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938150	0	39	-1.0	-48.29	326.61	5.52	-42.77
CCC(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938151	0	42	-1.0	-48.26	345.06	6.18	-42.08
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938152	0	41	-1.0	-53.84	361.89	1.59	-52.25
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)NC4=C3)(C1)C2	REAL300010938153	0	34	-1.0	-50.37	302.05	0.42	-49.95
CC(=O)NCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938154	0	40	-1.0	-53.23	348.57	2.62	-50.61
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3Cl)(C1)C2	REAL300010938155	0	32	-1.0	-46.32	313.25	5.07	-41.25
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC=C3Cl)(C1)C2	REAL300010938156	0	30	-1.0	-49.24	286.45	4.81	-44.43
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)S3)(C1)C2	REAL300010938157	0	27	-1.0	-47.96	275.50	3.23	-44.73
CCCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938158	0	39	-1.0	-48.24	330.78	5.81	-42.43
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C=C3Cl)(C1)C2	REAL300010938159	0	30	-1.0	-45.62	306.32	5.01	-40.61
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938160	0	34	-1.0	-47.00	316.37	3.58	-43.42
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938161	0	41	-1.0	-55.17	356.60	2.49	-52.68
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C(F)=C3F)(C1)C2	REAL300010938162	0	30	-1.0	-46.51	290.01	4.01	-42.50
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3)(C1)C2	REAL300010938163	0	30	-1.0	-46.30	299.78	4.61	-41.69
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3Cl)(C1)C2	REAL300010938164	0	30	-1.0	-48.19	285.09	4.39	-43.80
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938165	0	42	-1.0	-54.15	375.82	4.90	-49.25
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938166	0	42	-1.0	-56.19	370.43	5.92	-50.27
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=CC=C3F)(C1)C2	REAL300010938167	1	30	-1.0	-51.68	272.08	3.79	-47.89
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)N=C3)(C1)C2	REAL300010938168	0	29	-1.0	-46.32	278.23	2.21	-44.11
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3F)(C1)C2	REAL300010938169	0	30	-1.0	-46.15	294.23	4.40	-41.75
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3C(F)(F)F)(C1)C2	REAL300010938170	0	33	-1.0	-45.34	312.95	5.90	-39.44
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Br	REAL300010938171	0	33	-1.0	-47.13	305.97	4.79	-42.34
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1NC(C)=O	REAL300010938172	0	41	-1.0	-54.06	350.25	1.93	-52.13
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC(F)(F)F)C=C3)(C1)C2	REAL300010938173	0	34	-1.0	-47.96	312.36	3.37	-44.59
CC1=C(C)C(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1C	REAL300010938174	0	45	-1.0	-49.11	344.62	6.89	-42.22
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCCCOC4=C3)(C1)C2	REAL300010938175	0	39	-1.0	-48.96	329.28	3.55	-45.41
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938176	0	35	-1.0	-47.36	310.67	4.80	-42.56
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)S3)(C1)C2	REAL300010938177	0	27	-1.0	-47.96	280.13	3.34	-44.62
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300010938178	0	36	-1.0	-47.31	322.82	5.98	-41.33
COC1=CC=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938179	0	34	-1.0	-50.73	321.56	4.22	-46.51
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938180	0	48	-1.0	-47.44	366.00	7.35	-40.09
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C4CCCCC4)C=C3)(C1)C2	REAL300010938181	0	46	-1.0	-48.20	368.18	7.39	-40.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)(C1)C2	REAL300010938182	0	33	-1.0	-47.38	305.11	4.59	-42.79
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCCCC4=C3)(C1)C2	REAL300010938183	0	40	-1.0	-48.50	329.10	6.07	-42.43
COC1=CC=C(OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938184	0	38	-1.0	-53.33	329.75	2.88	-50.45
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300010938185	0	38	-1.0	-49.39	325.18	2.81	-46.58
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(=O)NCC(F)(F)F)C=C3)(C1)C2	REAL300010938186	0	40	-1.0	-49.45	363.60	3.17	-46.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCCC4=C3)(C1)C2	REAL300010938187	0	37	-1.0	-48.77	311.84	5.49	-43.28
CC(=O)NCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938188	0	37	-1.0	-54.34	340.90	1.78	-52.56
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4CC3)(C1)C2	REAL300010938189	0	38	-1.0	-49.14	324.59	6.14	-43.00
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3F)(C1)C2	REAL300010938190	0	30	-1.0	-48.51	283.85	3.95	-44.56
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938191	0	40	-1.0	-53.71	342.15	3.55	-50.16
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)SC(Cl)=C3)(C1)C2	REAL300010938192	0	27	-1.0	-45.59	294.86	3.98	-41.61
CC(C)CCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938193	0	45	-1.0	-48.15	369.85	7.10	-41.05
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=CC=CC=C43)(C1)C2	REAL300010938194	0	36	-1.0	-50.82	312.83	6.19	-44.63
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)(C1)C2	REAL300010938195	0	40	-1.0	-49.92	340.50	6.99	-42.93
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)C=C3Cl)(C1)C2	REAL300010938196	0	33	-1.0	-45.79	323.76	5.39	-40.40
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C(Cl)C=C3Cl)(C1)C2	REAL300010938197	0	30	-1.0	-45.56	303.08	5.29	-40.27
CCC(C)(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938198	0	45	-1.0	-48.41	356.82	6.38	-42.03
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938199	0	33	-1.0	-46.43	301.79	4.69	-41.74
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=C(F)C(F)=C3)(C1)C2	REAL300010938200	0	30	-1.0	-47.04	285.32	3.76	-43.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=C(Br)C=C3F)(C1)C2	REAL300010938201	1	30	-1.0	-45.95	304.45	4.55	-41.40
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3F)(C1)C2	REAL300010938202	0	33	-1.0	-48.76	316.18	4.89	-43.87
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=C(F)C=C3F)(C1)C2	REAL300010938203	0	30	-1.0	-45.72	304.42	4.55	-41.17
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=C(F)C=C3F)(C1)C2	REAL300010938204	0	30	-1.0	-46.37	290.12	4.01	-42.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=NON=C43)(C1)C2	REAL300010938205	0	31	-1.0	-49.84	287.70	2.56	-47.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C(C(F)(F)F)=C3)(C1)C2	REAL300010938206	0	33	-1.0	-45.64	310.78	4.67	-40.97
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=CC=CN=C43)(C1)C2	REAL300010938207	0	35	-1.0	-54.11	311.90	4.45	-49.66
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C=C3C(F)(F)F)(C1)C2	REAL300010938208	0	33	-1.0	-45.52	302.62	5.44	-40.08
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC4=CC=CC=C4Cl)C=C3)(C1)C2	REAL300010938209	0	41	-1.0	-50.52	371.99	7.00	-43.52
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Cl)=C3F)(C1)C2	REAL300010938210	0	30	-1.0	-47.74	293.62	4.39	-43.35
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C=C3Br)(C1)C2	REAL300010938211	0	30	-1.0	-45.75	294.76	4.65	-41.10
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938212	0	36	-1.0	-48.99	328.47	4.27	-44.72
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938213	0	34	-1.0	-47.53	302.17	2.98	-44.55
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=C(F)C=C3F)(C1)C2	REAL300010938214	1	30	-1.0	-47.53	278.50	3.86	-43.67
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C(F)=C3)(C1)C2	REAL300010938215	0	30	-1.0	-45.44	293.47	4.27	-41.17
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)C=C1	REAL300010938216	0	45	-1.0	-49.87	384.48	5.72	-44.15
CC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938217	0	37	-1.0	-54.27	336.48	3.09	-51.18
CN(C1CCCCC1)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938218	0	41	-1.0	-46.95	322.38	4.12	-42.83
CC(C)OC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C12	REAL300010938219	0	46	-1.0	-50.75	381.00	7.08	-43.67
N#CC1=CC=CC(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938220	0	34	-1.0	-51.41	312.34	4.74	-46.67
CC1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300010938221	0	33	-1.0	-49.36	306.27	5.40	-43.96
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)(C1)C2	REAL300010938222	0	33	-1.0	-48.76	323.39	5.33	-43.43
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C12	REAL300010938223	0	40	-1.0	-50.91	341.25	5.53	-45.38
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(N)=O	REAL300010938224	0	37	-1.0	-49.32	317.03	1.07	-48.25
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(N)=O	REAL300010938225	0	38	-1.0	-53.12	328.26	0.98	-52.14
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938226	0	35	-1.0	-49.17	315.56	5.28	-43.89
CC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938227	0	37	-1.0	-55.11	333.48	2.77	-52.34
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938228	0	35	-1.0	-48.21	309.04	5.19	-43.02
CN1C=NC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300010938229	0	30	-1.0	-53.53	282.95	3.96	-49.57
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938230	0	36	-1.0	-48.25	337.82	4.74	-43.51
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C=N3)(C1)C2	REAL300010938231	0	29	-1.0	-46.25	283.50	2.28	-43.97
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938232	0	39	-1.0	-60.01	351.42	1.80	-58.21
CC(=O)NC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1F	REAL300010938233	0	37	-1.0	-52.02	327.22	2.59	-49.43
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C21	REAL300010938234	0	44	-1.0	-61.62	358.09	5.19	-56.43
CS(=O)(=O)CCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938235	0	35	-1.0	-60.72	316.76	-0.30	-61.02
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1C	REAL300010938236	0	40	-1.0	-49.75	332.58	4.53	-45.22
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3Br)(C1)C2	REAL300010938237	0	30	-1.0	-47.82	294.84	4.63	-43.19
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C21	REAL300010938238	0	41	-1.0	-50.33	349.62	3.08	-47.25
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Br)C=C3)(C1)C2	REAL300010938239	0	33	-1.0	-49.35	312.77	4.98	-44.37
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C(Cl)=C3)(C1)C2	REAL300010938240	0	30	-1.0	-45.34	302.59	4.69	-40.65
CC(=O)NCCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938241	0	43	-1.0	-55.78	369.79	3.39	-52.39
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938242	0	44	-1.0	-57.39	382.46	2.61	-54.78
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938243	0	38	-1.0	-55.15	331.32	6.23	-48.92
CC(C)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938244	0	42	-1.0	-48.17	347.52	6.26	-41.91
COCCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938245	0	40	-1.0	-49.00	342.95	4.10	-44.90
COCCN(CCOC)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938246	0	42	-1.0	-47.53	347.06	0.98	-46.55
CC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938247	0	33	-1.0	-49.88	304.06	5.13	-44.75
CC(C)CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938248	0	46	-1.0	-47.69	378.29	5.91	-41.78
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC4CCCC4)C=C3)(C1)C2	REAL300010938249	0	44	-1.0	-49.46	360.35	5.77	-43.69
CC(C)COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938250	0	43	-1.0	-47.74	359.33	5.30	-42.44
CCCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938251	0	40	-1.0	-47.84	339.23	4.61	-43.23
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938252	0	34	-1.0	-47.11	311.98	3.46	-43.65
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC(F)F)C(Cl)=C3)(C1)C2	REAL300010938253	0	34	-1.0	-49.54	321.73	3.74	-45.80
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938254	0	37	-1.0	-48.39	316.02	3.65	-44.74
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1OC(C)C	REAL300010938255	0	43	-1.0	-48.22	355.79	5.20	-43.02
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300010938256	0	37	-1.0	-49.34	316.81	3.91	-45.43
COCCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938257	0	41	-1.0	-49.36	351.35	3.08	-46.28
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938258	0	41	-1.0	-52.38	357.21	3.27	-49.11
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(=O)N4CCOCC4)C=C3)(C1)C2	REAL300010938259	0	45	-1.0	-51.03	372.27	3.06	-47.97
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Br)=C1	REAL300010938260	0	33	-1.0	-47.75	309.77	5.24	-42.51
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938261	0	36	-1.0	-52.61	345.74	1.92	-50.69
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938262	0	36	-1.0	-50.57	332.48	5.79	-44.78
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CN=C4C=C3)(C1)C2	REAL300010938263	0	35	-1.0	-53.68	307.16	3.96	-49.72
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938264	0	34	-1.0	-46.04	299.42	4.15	-41.89
CC1=CC(C#N)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938265	0	34	-1.0	-49.35	308.09	5.00	-44.35
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938266	0	31	-1.0	-47.97	298.22	4.28	-43.69
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938267	0	34	-1.0	-47.16	328.72	5.12	-42.04
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300010938268	0	40	-1.0	-50.50	348.53	4.31	-46.19
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938269	0	39	-1.0	-48.42	337.24	4.80	-43.62
COC(=O)CCN(C)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938270	0	37	-1.0	-50.06	319.83	2.49	-47.57
CS(=O)(=O)N1CCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938271	0	40	-1.0	-54.15	340.40	-0.69	-54.84
CN(C1CCOCC1)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938272	0	39	-1.0	-47.91	313.87	1.70	-46.21
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(N4CCOC4=O)C=C3)(C1)C2	REAL300010938273	0	39	-1.0	-53.39	335.05	3.65	-49.74
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=NN1C1=CC=CC=N1	REAL300010938274	0	39	-1.0	-54.89	345.25	5.03	-49.86
CCN1N=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938275	0	39	-1.0	-52.50	320.49	3.38	-49.12
CC(C)CN1C=NC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938276	0	39	-1.0	-54.66	329.16	5.71	-48.95
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938277	0	42	-1.0	-48.93	320.93	6.18	-42.75
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC(F)F)C4=CC=CC=C43)(C1)C2	REAL300010938278	0	43	-1.0	-53.70	376.12	6.78	-46.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938279	0	38	-1.0	-54.01	332.69	2.99	-51.02
O=C([O-])C12CC(NS(=O)(=O)C3=CN(C4=CC=CC=C4F)N=C3)(C1)C2	REAL300010938281	0	37	-1.0	-58.47	332.27	4.83	-53.64
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010938282	0	36	-1.0	-50.42	339.68	4.60	-45.82
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Cl)=C1Cl	REAL300010938283	0	34	-1.0	-47.70	329.02	4.19	-43.51
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=NN1C1=CC=C(Cl)C=C1	REAL300010938284	0	40	-1.0	-52.62	364.76	5.92	-46.70
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(Br)O1	REAL300010938285	0	33	-1.0	-48.61	331.34	3.22	-45.39
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C(Br)S1	REAL300010938286	0	30	-1.0	-48.74	301.94	4.35	-44.39
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN1	REAL300010938287	0	34	-1.0	-49.78	310.71	1.91	-47.87
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938288	0	31	-1.0	-47.02	302.66	4.41	-42.61
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938289	0	38	-1.0	-49.82	317.39	6.50	-43.32
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938290	0	36	-1.0	-53.13	339.79	5.05	-48.08
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938291	0	39	-1.0	-61.96	348.29	2.10	-59.86
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)=C1	REAL300010938292	0	34	-1.0	-47.35	316.91	5.78	-41.57
N#CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Cl	REAL300010938293	0	31	-1.0	-46.80	302.69	4.41	-42.39
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938294	0	46	-1.0	-50.50	377.57	5.30	-45.20
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(=O)NC4CC4)=CC=C3)(C1)C2	REAL300010938295	0	41	-1.0	-63.34	354.52	3.58	-59.76
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(S(=O)(=O)NC4CC4)C=C3)(C1)C2	REAL300010938296	0	42	-1.0	-53.37	375.29	1.43	-51.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938297	0	38	-1.0	-53.96	342.92	-0.25	-54.21
CC(=O)NCCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938298	0	40	-1.0	-56.19	362.68	2.55	-53.64
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)O1	REAL300010938299	0	33	-1.0	-51.95	309.24	2.58	-49.37
COC(=O)C1=C(C)OC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938300	0	36	-1.0	-50.17	327.61	3.24	-46.93
CC1=NC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938301	0	32	-1.0	-49.09	296.20	2.14	-46.95
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938302	1	32	-1.0	-53.47	293.64	5.36	-48.11
O=C([O-])C12CC(NS(=O)(=O)CC3=CC(Cl)=CC(Cl)=C3)(C1)C2	REAL300010938303	0	33	-1.0	-48.94	324.94	5.37	-43.57
CCOC(=O)C1=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(C)N1	REAL300010938304	0	43	-1.0	-47.97	358.98	4.21	-43.76
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=CC=C3Br)(C1)C2	REAL300010938305	0	30	-1.0	-51.12	288.67	4.61	-46.51
CC1=NC(C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)S2)=CS1	REAL300010938306	0	36	-1.0	-50.29	345.85	4.16	-46.13
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC4CCCCC4)C=C3)(C1)C2	REAL300010938307	0	50	-1.0	-47.71	400.88	7.20	-40.51
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(=O)NCC(F)(F)F)=CC=C3)(C1)C2	REAL300010938308	0	40	-1.0	-51.13	363.70	3.18	-47.95
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(I)=C3)(C1)C2	REAL300010938309	0	30	-1.0	-46.11	294.25	4.71	-41.40
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938310	0	39	-1.0	-56.52	340.61	5.32	-51.20
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3[N+](=O)[O-])(C1)C2	REAL300010938311	0	32	-1.0	-47.40	305.27	5.76	-41.64
COC1=CC(F)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300010938312	0	38	-1.0	-49.42	336.14	3.09	-46.33
COC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300010938313	0	41	-1.0	-52.34	345.30	3.94	-48.40
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C(Cl)C=C3[N+](=O)[O-])(C1)C2	REAL300010938314	1	32	-1.0	-46.72	317.25	6.49	-40.23
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)N=C4C=CC=CN43)(C1)C2	REAL300010938315	0	33	-1.0	-57.43	300.41	4.28	-53.15
N#CC1=CC(F)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938316	0	31	-1.0	-47.28	296.41	4.18	-43.10
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938317	0	31	-1.0	-47.03	306.74	4.64	-42.39
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938318	0	33	-1.0	-46.45	305.82	4.77	-41.68
COC(=O)CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938319	0	36	-1.0	-54.00	326.66	2.34	-51.66
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C4=CC=CC=C43)(C1)C2	REAL300010938320	0	36	-1.0	-48.88	327.30	6.60	-42.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(F)(F)F)(C1)C2	REAL300010938321	0	35	-1.0	-45.92	324.46	6.05	-39.87
CC1=C(Br)SC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938322	0	30	-1.0	-48.10	299.63	3.92	-44.18
N#CCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938323	0	34	-1.0	-53.80	308.56	4.75	-49.05
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC(F)=C1F	REAL300010938324	0	36	-1.0	-50.47	331.86	4.32	-46.15
O=C([O-])C12CC(NS(=O)(=O)N3CCC4(CCCCC4)CC3)(C1)C2	REAL300010938325	0	48	-1.0	-46.97	354.01	5.22	-41.75
CC1=NC2=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=CC=C2C=C1	REAL300010938326	0	38	-1.0	-54.26	333.00	5.00	-49.26
O=C([O-])C12CC(NS(=O)(=O)C3=CN(C4CCOCC4)N=C3)(C1)C2	REAL300010938327	0	41	-1.0	-47.95	344.12	2.07	-45.88
CC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Br	REAL300010938328	0	33	-1.0	-48.11	306.65	5.13	-42.98
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938329	0	36	-1.0	-50.55	330.30	4.91	-45.64
O=C([O-])C12CC(NS(=O)(=O)C3=CN(C4CCOC4)N=C3)(C1)C2	REAL300010938330	0	38	-1.0	-50.20	325.37	1.49	-48.71
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1[N+](=O)[O-]	REAL300010938331	0	36	-1.0	-50.46	321.99	4.35	-46.11
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938332	0	36	-1.0	-51.06	324.98	5.67	-45.39
COCCN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938333	0	37	-1.0	-48.34	326.82	1.16	-47.18
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C12	REAL300010938334	0	43	-1.0	-50.65	363.00	6.49	-44.16
CCOC1=CC=C(C)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938335	0	40	-1.0	-50.50	343.55	5.19	-45.31
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(N4C=NN=N4)=C3)(C1)C2	REAL300010938336	0	35	-1.0	-65.71	314.59	3.75	-61.96
O=C([O-])C12CC(NS(=O)(=O)C3=CN(C4=CC=CC=C4)N=C3)(C1)C2	REAL300010938337	0	37	-1.0	-49.76	327.64	4.65	-45.11
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C([N+](=O)[O-])=C3)(C1)C2	REAL300010938338	0	32	-1.0	-55.87	310.72	4.71	-51.16
N#CC1=C(F)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938339	0	31	-1.0	-49.93	295.94	4.15	-45.78
CCOCCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938340	0	44	-1.0	-49.49	373.13	4.04	-45.45
CCCCCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938341	0	46	-1.0	-47.71	382.22	6.17	-41.54
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938342	0	32	-1.0	-51.70	295.02	5.62	-46.08
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1F	REAL300010938343	0	36	-1.0	-49.34	325.78	4.28	-45.06
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(Cl)C=C1Cl	REAL300010938344	0	36	-1.0	-47.69	352.31	5.43	-42.26
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938345	0	40	-1.0	-57.12	354.94	4.26	-52.86
COC(=O)C1=CSC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938346	0	33	-1.0	-48.31	314.55	3.30	-45.01
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938347	0	42	-1.0	-56.20	358.28	5.91	-50.29
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C	REAL300010938348	0	39	-1.0	-48.21	337.15	4.77	-43.44
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938349	0	36	-1.0	-53.55	332.20	4.53	-49.02
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C3CCCC4)(C1)C2	REAL300010938350	0	40	-1.0	-49.20	327.56	6.52	-42.68
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC=C3C(F)(F)F)(C1)C2	REAL300010938351	0	36	-1.0	-49.60	316.29	5.49	-44.11
O=C([O-])C12CC(NS(=O)(=O)C3=CN=CC(Br)=C3)(C1)C2	REAL300010938352	0	29	-1.0	-47.39	282.83	2.34	-45.05
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(SC(F)(F)F)C=C3)(C1)C2	REAL300010938353	0	34	-1.0	-48.84	322.75	5.04	-43.80
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C(Br)=C3)(C1)C2	REAL300010938354	0	30	-1.0	-45.55	293.47	4.27	-41.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCS(=O)(=O)C4=C3)(C1)C2	REAL300010938355	0	37	-1.0	-57.83	330.96	1.46	-56.37
CC1=C(Br)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938356	0	33	-1.0	-47.17	304.16	5.21	-41.96
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Br	REAL300010938357	0	34	-1.0	-47.62	316.38	3.58	-44.04
CC1(C)CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2O1	REAL300010938358	0	41	-1.0	-48.12	343.78	4.84	-43.28
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938359	0	38	-1.0	-51.74	345.40	0.38	-51.36
CCC(=O)NCC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300010938360	0	47	-1.0	-58.54	397.37	2.77	-55.77
COC1=CC=C(Br)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938361	0	34	-1.0	-49.76	317.91	3.86	-45.90
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938362	0	39	-1.0	-54.22	348.63	2.03	-52.19
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4N=C(Cl)SC4=C3)(C1)C2	REAL300010938363	0	32	-1.0	-47.63	314.59	3.51	-44.12
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938364	0	35	-1.0	-56.51	326.26	4.80	-51.71
N#CC1=CC(Br)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938365	0	31	-1.0	-47.50	308.58	4.60	-42.90
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938366	0	37	-1.0	-46.73	338.22	4.50	-42.23
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4NC(=O)NC(=O)C4=C3)(C1)C2	REAL300010938367	0	35	-1.0	-53.42	317.17	-0.93	-54.35
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2S1	REAL300010938368	0	44	-1.0	-49.96	379.32	5.54	-44.42
COC(=O)CC1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938369	0	39	-1.0	-50.54	333.32	4.21	-46.33
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938370	0	35	-1.0	-48.75	328.72	3.92	-44.83
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4COCC4=C3)(C1)C2	REAL300010938371	0	35	-1.0	-48.45	302.44	2.90	-45.55
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC4=CC=CN=C43)(C1)C2	REAL300010938372	0	38	-1.0	-57.16	331.36	4.90	-52.26
O=C([O-])C12CC(NS(=O)(=O)C3CCS(=O)(=O)CC3)(C1)C2	REAL300010938373	0	36	-1.0	-56.30	311.80	0.16	-56.14
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938374	0	40	-1.0	-51.35	346.54	4.53	-46.82
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(N4C=NN=N4)C=C3)(C1)C2	REAL300010938375	0	35	-1.0	-51.08	314.64	3.76	-47.32
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300010938376	0	40	-1.0	-49.12	338.66	4.84	-44.28
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938377	0	38	-1.0	-60.05	343.09	-0.22	-60.27
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938378	0	39	-1.0	-50.94	343.54	5.49	-45.45
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3OC(F)F)(C1)C2	REAL300010938379	0	34	-1.0	-50.96	310.01	3.86	-47.10
CSC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938380	0	34	-1.0	-47.71	306.56	4.60	-43.11
CCCOC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938381	0	42	-1.0	-48.37	364.50	5.96	-42.41
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC(C(F)(F)F)=C3)(C1)C2	REAL300010938382	0	36	-1.0	-49.55	330.22	5.35	-44.20
CCN(CC1=CC=CC=C1)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938383	0	41	-1.0	-48.85	336.80	5.41	-43.44
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)N=C3Cl)(C1)C2	REAL300010938384	0	29	-1.0	-46.28	297.03	2.96	-43.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C3OCCO4)(C1)C2	REAL300010938385	0	36	-1.0	-50.95	314.67	3.40	-47.55
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=NC=CC=C43)(C1)C2	REAL300010938386	0	35	-1.0	-50.92	307.98	4.30	-46.62
CC1=CC=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938387	0	33	-1.0	-49.81	308.63	5.24	-44.57
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)CCC4=C3)(C1)C2	REAL300010938388	0	38	-1.0	-51.74	326.12	2.76	-48.98
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938389	0	46	-1.0	-50.97	381.50	4.51	-46.46
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OCC	REAL300010938390	0	44	-1.0	-48.99	368.89	4.65	-44.34
CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)N(C)C1=O	REAL300010938391	0	36	-1.0	-51.10	316.49	2.69	-48.41
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938392	0	35	-1.0	-54.91	320.49	-1.46	-56.37
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(N4CCCC4=O)C=C3)(C1)C2	REAL300010938393	0	41	-1.0	-59.91	344.13	4.70	-55.21
CC(=O)N1CCCC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938394	0	44	-1.0	-54.15	359.54	5.21	-48.94
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938395	0	38	-1.0	-54.96	331.80	5.93	-49.03
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938396	0	36	-1.0	-48.84	321.13	4.24	-44.60
CC(=O)N1CCC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938397	0	41	-1.0	-61.05	345.57	4.63	-56.42
CNC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938398	0	37	-1.0	-50.30	322.80	1.86	-48.44
NC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938399	0	34	-1.0	-50.28	300.87	0.36	-49.92
CC(=O)N1C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2CC1C	REAL300010938400	0	44	-1.0	-50.92	360.98	5.14	-45.78
COC(=O)C1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=CS1	REAL300010938401	0	33	-1.0	-50.56	310.77	4.15	-46.41
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938402	0	33	-1.0	-49.07	314.25	3.37	-45.70
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(F)(F)F	REAL300010938403	0	34	-1.0	-47.29	323.09	4.79	-42.50
CCOC(=O)C1=CNN=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938404	0	36	-1.0	-57.67	318.74	2.56	-55.11
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)C(=O)NC4=C3)(C1)C2	REAL300010938405	0	36	-1.0	-56.47	323.00	0.59	-55.88
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCC(=O)NC4=C3)(C1)C2	REAL300010938406	0	36	-1.0	-53.19	317.05	0.80	-52.39
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C4NC(=O)COC4=C3)(C1)C2	REAL300010938407	0	36	-1.0	-50.66	335.74	1.63	-49.03
CC1=CC2=CC=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=C2N=C1	REAL300010938408	0	38	-1.0	-53.54	333.35	5.09	-48.45
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C([N+](=O)[O-])=C1	REAL300010938409	0	36	-1.0	-49.61	318.00	4.52	-45.09
COC1=CC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938410	0	34	-1.0	-48.53	316.99	4.12	-44.41
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3OC(F)(F)F)(C1)C2	REAL300010938411	0	34	-1.0	-48.01	316.64	4.11	-43.90
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938412	0	35	-1.0	-53.02	320.70	-1.44	-54.46
COC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938413	0	36	-1.0	-49.57	321.25	4.26	-45.31
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(S(=O)(=O)NC4CC4)=C3)(C1)C2	REAL300010938414	0	42	-1.0	-52.08	375.48	1.46	-50.62
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C([N+](=O)[O-])C=C3)(C1)C2	REAL300010938415	0	35	-1.0	-52.05	319.75	5.06	-46.99
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Cl)=C1	REAL300010938416	0	33	-1.0	-47.85	306.44	5.07	-42.78
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)NC(=O)C4=C3)(C1)C2	REAL300010938417	0	36	-1.0	-59.52	321.86	-0.03	-59.55
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938418	0	36	-1.0	-57.23	327.08	1.11	-56.12
CN1C(=O)C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2C1=O	REAL300010938419	0	37	-1.0	-48.83	332.16	2.84	-45.99
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938420	0	38	-1.0	-50.84	332.67	5.03	-45.81
O=C([O-])C12CC(NS(=O)(=O)N3CCC4=CC=CC=C4C3)(C1)C2	REAL300010938421	0	39	-1.0	-48.97	321.59	4.81	-44.16
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CN=C12	REAL300010938422	0	38	-1.0	-51.14	328.08	5.13	-46.01
CN1C(=O)OC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938423	0	36	-1.0	-58.18	320.42	3.56	-54.62
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OC(=O)C=CC4=C3)(C1)C2	REAL300010938424	0	35	-1.0	-54.19	313.98	5.08	-49.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938425	0	38	-1.0	-50.28	327.73	6.53	-43.75
CCOC(=O)C1CCCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300010938426	0	44	-1.0	-54.11	359.64	4.20	-49.91
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(OC(F)(F)F)=C3)(C1)C2	REAL300010938427	0	34	-1.0	-45.99	312.46	3.40	-42.59
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938428	0	41	-1.0	-51.99	362.80	1.56	-50.43
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C=C3Cl)(C1)C2	REAL300010938429	0	30	-1.0	-45.83	291.42	4.47	-41.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938430	0	32	-1.0	-48.74	305.27	5.75	-42.99
O=C([O-])C12CC(NS(=O)(=O)C3=CNC(C(=O)N4CCCC4)=C3)(C1)C2	REAL300010938431	0	42	-1.0	-52.51	352.95	2.87	-49.64
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3C3=CC=CC=C3)(C1)C2	REAL300010938432	0	40	-1.0	-51.79	337.91	7.30	-44.49
CC1CC(C)CN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300010938433	0	41	-1.0	-47.19	320.27	3.97	-43.22
CCOC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938434	0	39	-1.0	-49.23	343.11	5.19	-44.04
CCOC(=O)N1CCC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938435	0	44	-1.0	-52.70	363.12	3.67	-49.03
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3)(C1)C2	REAL300010938436	0	30	-1.0	-47.07	283.11	4.11	-42.96
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C=C3)(C1)C2	REAL300010938437	0	30	-1.0	-46.97	287.67	4.21	-42.76
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3)(C1)C2	REAL300010938438	0	32	-1.0	-48.86	294.60	4.26	-44.60
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)(C1)C2	REAL300010938439	0	36	-1.0	-50.00	312.23	5.86	-44.14
CC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938440	0	37	-1.0	-52.23	322.44	2.47	-49.76
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938441	0	35	-1.0	-55.57	315.81	5.25	-50.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938442	0	32	-1.0	-51.61	289.31	5.32	-46.29
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938443	0	37	-1.0	-50.24	343.44	5.15	-45.09
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938444	0	37	-1.0	-48.05	317.73	3.80	-44.25
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C=C3F)(C1)C2	REAL300010938445	0	30	-1.0	-46.27	283.91	3.94	-42.33
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC(F)=C3)(C1)C2	REAL300010938446	0	30	-1.0	-46.99	279.14	3.71	-43.28
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCCOC4=C3)(C1)C2	REAL300010938447	0	36	-1.0	-50.00	310.95	2.76	-47.24
CC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300010938448	0	39	-1.0	-48.11	318.64	6.08	-42.03
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938449	0	45	-1.0	-49.56	363.54	6.94	-42.62
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(Cl)=C3)(C1)C2	REAL300010938450	0	30	-1.0	-45.33	298.38	4.58	-40.75
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C(F)=C3)(C1)C2	REAL300010938451	0	30	-1.0	-45.87	279.16	3.73	-42.14
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)(C1)C2	REAL300010938452	0	30	-1.0	-47.48	301.80	4.91	-42.57
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)(C1)C2	REAL300010938453	0	33	-1.0	-46.43	305.20	4.61	-41.82
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3C(F)(F)F)(C1)C2	REAL300010938454	0	33	-1.0	-48.22	296.58	5.41	-42.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)C2	REAL300010938455	0	33	-1.0	-45.26	318.36	5.03	-40.23
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Cl)=C3)(C1)C2	REAL300010938456	0	30	-1.0	-46.46	283.20	4.13	-42.33
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3Cl)(C1)C2	REAL300010938457	0	33	-1.0	-48.33	323.81	5.39	-42.94
CC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938458	0	35	-1.0	-48.70	306.83	3.97	-44.73
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(F)C(Cl)=C3)(C1)C2	REAL300010938459	0	30	-1.0	-45.62	289.05	4.17	-41.45
CC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938460	0	35	-1.0	-52.06	307.72	4.01	-48.05
CC1=NC(C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)=CO1	REAL300010938461	0	39	-1.0	-51.13	342.69	2.65	-48.48
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C(Cl)C(Cl)=C3)(C1)C2	REAL300010938462	0	29	-1.0	-46.34	293.58	2.67	-43.67
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4O3)(C1)C2	REAL300010938463	0	33	-1.0	-53.58	299.47	4.18	-49.40
COC1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938464	0	34	-1.0	-49.98	314.54	3.69	-46.29
COC(=O)C1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C2S1	REAL300010938465	0	39	-1.0	-50.45	350.85	6.75	-43.70
COC(=O)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938466	0	39	-1.0	-53.04	343.27	5.03	-48.01
O=C([O-])C12CC(NS(=O)(=O)C3CC4=CC=CC=C4C3)(C1)C2	REAL300010938467	0	37	-1.0	-49.45	313.71	5.52	-43.93
CC1=CC=C(N2C=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=N2)C=C1	REAL300010938468	0	40	-1.0	-49.66	349.28	5.35	-44.31
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C21	REAL300010938469	0	41	-1.0	-57.48	345.46	4.63	-52.85
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938470	0	31	-1.0	-49.12	305.44	4.52	-44.60
CC1=CC=C(C#N)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938471	0	34	-1.0	-53.11	308.11	5.02	-48.09
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(=O)N(C)C	REAL300010938472	0	44	-1.0	-52.89	368.29	3.36	-49.53
CC1CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC(Cl)=C2O1	REAL300010938473	0	38	-1.0	-52.12	340.02	4.69	-47.43
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1[N+](=O)[O-]	REAL300010938474	0	35	-1.0	-49.03	310.68	4.79	-44.24
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC([N+](=O)[O-])=C1C	REAL300010938475	0	44	-1.0	-52.41	381.19	6.18	-46.23
COC(=O)C1=COC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938476	0	33	-1.0	-50.87	309.56	2.52	-48.35
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938477	0	41	-1.0	-57.04	355.06	4.30	-52.74
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4C=CSC4=C3)(C1)C2	REAL300010938478	0	32	-1.0	-51.69	298.35	2.98	-48.71
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938479	0	40	-1.0	-54.99	344.62	4.24	-50.75
COC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)SC=C1	REAL300010938480	0	31	-1.0	-52.31	284.24	1.69	-50.62
CC(=O)NC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C	REAL300010938481	0	40	-1.0	-59.40	340.34	3.36	-56.04
CN1CCCC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C21	REAL300010938482	0	42	-1.0	-51.34	340.85	4.14	-47.20
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN=C1Cl	REAL300010938483	0	32	-1.0	-46.06	297.07	2.80	-43.26
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)C=CC4=C3)(C1)C2	REAL300010938484	0	36	-1.0	-52.68	317.68	2.63	-50.05
CC(C)(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938485	0	39	-1.0	-49.30	339.41	5.26	-44.04
CC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C#N	REAL300010938486	0	34	-1.0	-50.15	309.20	4.61	-45.54
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1	REAL300010938487	0	38	-1.0	-51.45	325.29	2.21	-49.24
CN1C=NC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938488	0	36	-1.0	-53.03	314.55	4.94	-48.09
CCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1CC	REAL300010938489	0	42	-1.0	-48.33	343.52	6.17	-42.16
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938490	0	38	-1.0	-47.89	325.45	6.09	-41.80
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(C)O1	REAL300010938491	0	36	-1.0	-53.99	330.75	3.35	-50.64
NC1=NC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938492	0	31	-1.0	-48.37	294.09	1.72	-46.65
COC(=O)C1=NSC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938493	0	32	-1.0	-49.43	304.29	2.65	-46.78
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC(C)=C1F	REAL300010938494	0	36	-1.0	-47.11	313.35	4.93	-42.18
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCNC(=O)C4=C3)(C1)C2	REAL300010938495	0	38	-1.0	-53.44	325.91	2.04	-51.40
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN1C	REAL300010938496	0	37	-1.0	-49.88	328.24	3.64	-46.24
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC(Cl)=C3)(C1)C2	REAL300010938497	0	30	-1.0	-46.34	289.60	4.18	-42.16
O=C([O-])C12CC(NS(=O)(=O)C3=CN=CC(Cl)=C3)(C1)C2	REAL300010938498	0	29	-1.0	-47.58	278.26	2.23	-45.35
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938499	0	41	-1.0	-47.98	348.99	5.42	-42.56
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(F)C(Cl)=C3)(C1)C2	REAL300010938500	0	33	-1.0	-49.17	314.07	4.92	-44.25
CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(N)=O	REAL300010938501	0	35	-1.0	-51.93	309.27	-0.31	-52.24
CC1=CC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938502	0	33	-1.0	-47.76	304.31	5.10	-42.66
CCOC(=O)C1CCCN1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938503	0	41	-1.0	-52.65	344.19	4.22	-48.43
CNC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN1C	REAL300010938504	0	38	-1.0	-51.96	331.17	1.17	-50.79
COC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300010938505	0	40	-1.0	-48.06	326.58	4.72	-43.34
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C4CCC(=O)NC4=C3)(C1)C2	REAL300010938506	0	38	-1.0	-52.86	344.82	3.59	-49.27
COC(=O)C1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938507	0	39	-1.0	-53.33	346.29	5.02	-48.31
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)CCCC4=C3)(C1)C2	REAL300010938508	0	41	-1.0	-52.44	341.80	3.71	-48.73
COC(=O)C1=CC=CC(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938509	0	39	-1.0	-52.99	346.29	5.01	-47.98
CCOC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)O1	REAL300010938510	0	36	-1.0	-52.14	331.11	3.51	-48.63
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4C(=C3)CC3=CC=CC=C34)(C1)C2	REAL300010938511	0	41	-1.0	-50.34	350.53	7.70	-42.64
COC(=O)COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938512	0	40	-1.0	-51.61	352.23	4.50	-47.11
COC(=O)CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938513	0	43	-1.0	-53.07	373.19	4.65	-48.42
COC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938514	0	40	-1.0	-50.36	337.06	4.64	-45.72
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4COC(=O)C4=C3)(C1)C2	REAL300010938515	0	34	-1.0	-51.42	304.66	3.97	-47.45
CCOC(=O)CCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938516	0	38	-1.0	-53.93	330.37	3.86	-50.07
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC=C3C(F)(F)F)(C1)C2	REAL300010938517	0	33	-1.0	-49.43	300.93	5.67	-43.76
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C=C3[N+](=O)[O-])(C1)C2	REAL300010938518	0	32	-1.0	-47.31	309.83	5.86	-41.45
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938519	0	35	-1.0	-50.31	299.91	5.95	-44.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3Br)(C1)C2	REAL300010938520	0	32	-1.0	-46.17	316.58	5.24	-40.93
O=C([O-])C12CC(NS(=O)(=O)C3=C(Br)C=CS3)(C1)C2	REAL300010938521	0	27	-1.0	-47.57	274.37	2.97	-44.60
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C3COC4=O)(C1)C2	REAL300010938522	0	34	-1.0	-50.88	309.37	4.12	-46.76
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CN=C2C=C1	REAL300010938523	0	38	-1.0	-50.61	310.32	4.64	-45.97
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)N=C3)(C1)C2	REAL300010938524	0	32	-1.0	-52.41	303.18	3.01	-49.40
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=C4NC(=O)CCC4=C3)(C1)C2	REAL300010938525	0	38	-1.0	-50.33	337.29	3.07	-47.26
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=CN=CC=C43)(C1)C2	REAL300010938526	0	35	-1.0	-51.02	308.16	4.40	-46.62
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CN=C3Cl)(C1)C2	REAL300010938527	0	29	-1.0	-45.72	301.50	3.13	-42.59
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3F)(C1)C2	REAL300010938528	0	32	-1.0	-46.75	305.72	4.55	-42.20
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C(Br)=C3)(C1)C2	REAL300010938529	0	32	-1.0	-46.86	310.87	4.74	-42.12
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938530	0	39	-1.0	-55.01	345.52	2.51	-52.50
CCN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C([N+](=O)[O-])=N1	REAL300010938531	0	35	-1.0	-51.44	321.77	4.63	-46.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(F)=C3[N+](=O)[O-])(C1)C2	REAL300010938532	0	32	-1.0	-51.00	305.06	5.17	-45.83
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC([N+](=O)[O-])=C3)(C1)C2	REAL300010938533	0	32	-1.0	-46.45	301.09	4.35	-42.10
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC(F)(F)F)C=C3)(C1)C2	REAL300010938534	0	37	-1.0	-48.50	337.21	4.27	-44.23
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938535	0	32	-1.0	-48.48	309.83	5.85	-42.63
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC4=CC=CC=C4)C=C3)(C1)C2	REAL300010938536	0	44	-1.0	-49.26	377.55	6.87	-42.39
CC1(C)C2CCC1(CS(=O)(=O)NC13CC(C(=O)[O-])(C1)C3)C(=O)C2	REAL300010938537	0	45	-1.0	-56.88	346.10	6.08	-50.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938538	0	38	-1.0	-54.96	354.70	0.50	-54.46
CCC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938539	0	38	-1.0	-51.86	329.54	4.87	-46.99
CCOC(=O)N1CCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938540	0	43	-1.0	-51.48	355.29	2.48	-49.00
COC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=C(Cl)N=C2C=C1	REAL300010938541	0	39	-1.0	-49.59	347.61	4.96	-44.63
O=C([O-])C12CC(NS(=O)(=O)C3=CN(CC4=CC=CC=C4)N=C3)(C1)C2	REAL300010938542	0	40	-1.0	-48.97	353.28	5.13	-43.84
CC(C)CCN(CCC(C)C)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938543	0	52	-1.0	-48.37	402.28	6.45	-41.92
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938544	0	38	-1.0	-53.26	343.62	0.21	-53.05
CS(=O)(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1F	REAL300010938545	0	36	-1.0	-53.52	331.35	1.12	-52.40
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1F	REAL300010938546	0	33	-1.0	-45.90	304.14	4.58	-41.32
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938547	0	37	-1.0	-50.88	339.69	4.79	-46.09
CC(C)N1N=CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938548	0	42	-1.0	-50.35	356.99	5.11	-45.24
CC1=CN(C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2F)N=C1	REAL300010938549	0	40	-1.0	-51.18	350.05	5.47	-45.71
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938550	0	37	-1.0	-50.89	339.89	2.50	-48.39
CCS(=O)(=O)NCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938551	0	37	-1.0	-55.60	331.63	-1.59	-57.19
CC1=CC(F)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938552	0	33	-1.0	-48.29	304.15	4.59	-43.70
CC1=CC(Cl)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938553	0	35	-1.0	-51.69	329.21	5.57	-46.12
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)OC2=CC=C(F)C=C12	REAL300010938554	0	36	-1.0	-49.24	324.42	4.88	-44.36
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)SC(Br)=C3)(C1)C2	REAL300010938555	0	27	-1.0	-45.44	299.50	4.08	-41.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=C(OC(F)F)C=C4CC3)(C1)C2	REAL300010938556	0	42	-1.0	-52.21	363.53	5.70	-46.51
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(F)=C3F)(C1)C2	REAL300010938557	0	30	-1.0	-48.34	283.73	3.95	-44.39
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CC=C3F)(C1)C2	REAL300010938558	0	30	-1.0	-47.76	298.74	4.51	-43.25
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(F)(F)F	REAL300010938559	0	36	-1.0	-51.82	320.89	5.12	-46.70
O=C([O-])C12CC(NS(=O)(=O)C3=CSC(C4=CC=C(F)C=C4)=N3)(C1)C2	REAL300010938560	0	36	-1.0	-53.18	341.80	4.76	-48.42
CC1=NN(C)C2=NC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C12	REAL300010938561	0	38	-1.0	-49.17	332.81	3.32	-45.85
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938562	0	37	-1.0	-51.49	336.32	4.24	-47.25
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Br)C=C3F)(C1)C2	REAL300010938563	0	33	-1.0	-48.15	318.08	5.02	-43.13
CC1=NOC2=NC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C12	REAL300010938564	0	34	-1.0	-48.40	306.26	0.58	-47.82
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(CCCCl)C=C3)(C1)C2	REAL300010938565	0	39	-1.0	-49.58	347.92	6.44	-43.14
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)N=C3)(C1)C2	REAL300010938566	0	32	-1.0	-52.41	303.18	3.01	-49.40
O=C([O-])C12CC(NS(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3Br)(C1)C2	REAL300010938567	0	32	-1.0	-51.02	316.66	5.24	-45.78
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938568	0	36	-1.0	-51.02	322.17	5.34	-45.68
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC=C3Cl)(C1)C2	REAL300010938569	0	33	-1.0	-52.12	304.96	4.81	-47.31
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(N4CCCS4(=O)=O)C=C3)(C1)C2	REAL300010938570	0	42	-1.0	-66.52	362.92	2.08	-64.44
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(OC(F)(F)F)C=C3)(C1)C2	REAL300010938571	0	37	-1.0	-49.35	337.53	4.18	-45.17
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CC=C3Cl)(C1)C2	REAL300010938572	0	30	-1.0	-47.37	306.37	5.01	-42.36
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CN=C21	REAL300010938573	0	38	-1.0	-48.59	335.84	0.99	-47.60
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1F	REAL300010938574	0	39	-1.0	-48.99	347.49	5.18	-43.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)(C1)C2	REAL300010938575	0	38	-1.0	-50.29	333.77	4.48	-45.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC(Cl)=CC=C4S3)(C1)C2	REAL300010938576	0	33	-1.0	-48.78	321.92	5.54	-43.24
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC(Cl)=CC=C2S1	REAL300010938577	0	36	-1.0	-50.98	332.26	6.39	-44.59
O=C([O-])C12CC(NS(=O)(=O)C3=CSC4=CC=C(Cl)C=C34)(C1)C2	REAL300010938578	0	33	-1.0	-47.72	324.99	5.63	-42.09
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC4=CC=CC=C43)(C1)C2	REAL300010938579	0	36	-1.0	-49.90	309.98	6.34	-43.56
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=CC=C(Cl)C=C43)(C1)C2	REAL300010938580	0	36	-1.0	-50.56	329.03	6.61	-43.95
CCOC(=O)C1CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2O1	REAL300010938581	0	44	-1.0	-50.35	379.80	5.82	-44.53
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938582	0	36	-1.0	-52.88	331.56	1.15	-51.73
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938583	0	43	-1.0	-53.63	372.85	5.11	-48.52
O=C([O-])C12CC(NS(=O)(=O)CCNS(=O)(=O)C3=CC=CC=C3)(C1)C2	REAL300010938584	0	41	-1.0	-55.04	367.77	0.73	-54.31
N#CC1=CC(F)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938585	1	31	-1.0	-49.07	292.93	4.18	-44.89
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1N(C)C	REAL300010938586	0	41	-1.0	-48.57	338.12	4.16	-44.41
CN1C(Cl)=NC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938587	0	30	-1.0	-49.95	288.53	2.49	-47.46
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938588	0	35	-1.0	-53.94	327.29	5.79	-48.15
CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)N=C1Cl	REAL300010938589	0	30	-1.0	-48.68	287.18	2.35	-46.33
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938590	0	33	-1.0	-52.91	314.29	4.47	-48.44
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938591	0	36	-1.0	-48.66	332.84	5.81	-42.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938592	0	42	-1.0	-51.78	341.51	3.98	-47.80
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCCC4=C3)(C1)C2	REAL300010938593	0	35	-1.0	-49.96	302.18	3.43	-46.53
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938594	0	36	-1.0	-55.23	327.17	1.13	-54.10
CCOC(=O)C1CCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938595	0	44	-1.0	-49.95	359.79	4.24	-45.71
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938596	0	38	-1.0	-53.82	333.19	5.10	-48.72
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4NC=CC=C34)(C1)C2	REAL300010938597	0	33	-1.0	-65.30	298.52	2.90	-62.40
CCC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938598	0	40	-1.0	-51.93	343.02	3.29	-48.64
O=C([O-])C12CC(NS(=O)(=O)CC3=CC(Cl)=CC=C3F)(C1)C2	REAL300010938599	0	33	-1.0	-49.55	313.46	4.90	-44.65
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CN=C3[N+](=O)[O-])(C1)C2	REAL300010938600	0	31	-1.0	-51.85	286.24	4.47	-47.38
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938601	0	39	-1.0	-52.68	336.26	5.46	-47.22
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3Cl)(C1)C2	REAL300010938602	0	30	-1.0	-48.05	291.47	4.46	-43.59
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938603	0	49	-1.0	-54.48	403.83	6.91	-47.57
O=C([O-])C12CC(NS(=O)(=O)CC3=C(Cl)C=CC=C3Cl)(C1)C2	REAL300010938604	0	33	-1.0	-50.59	318.51	5.25	-45.34
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938605	0	37	-1.0	-51.17	346.69	3.38	-47.79
CC1CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2O1	REAL300010938606	0	38	-1.0	-49.76	323.54	4.23	-45.53
COC1=CC(Cl)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938607	0	34	-1.0	-48.39	330.57	4.25	-44.14
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938608	0	42	-1.0	-53.77	358.37	2.71	-51.06
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CS1	REAL300010938609	0	33	-1.0	-48.50	313.86	3.30	-45.20
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938610	0	39	-1.0	-51.35	354.45	6.27	-45.08
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC4=CC=CC(Cl)=C4)C=C3)(C1)C2	REAL300010938611	0	41	-1.0	-48.18	373.51	7.02	-41.16
COC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938612	0	39	-1.0	-49.30	334.71	5.13	-44.17
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CC([N+](=O)[O-])=C3)(C1)C2	REAL300010938613	0	32	-1.0	-45.58	315.98	4.89	-40.69
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938614	0	34	-1.0	-45.99	326.57	4.39	-41.60
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938615	0	42	-1.0	-52.47	341.24	4.07	-48.40
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC([N+](=O)[O-])=C3)(C1)C2	REAL300010938616	0	32	-1.0	-47.53	294.69	4.28	-43.25
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)=C1	REAL300010938617	0	44	-1.0	-49.38	376.42	7.09	-42.29
COC1=CC=C(C)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938618	0	37	-1.0	-50.87	321.67	4.27	-46.60
N#CC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938619	0	34	-1.0	-51.54	312.33	4.75	-46.79
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)OC4=C3)(C1)C2	REAL300010938620	0	33	-1.0	-49.11	298.04	1.11	-48.00
CN1C(=O)CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938621	0	38	-1.0	-50.47	329.78	4.06	-46.41
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(I)C=C3)(C1)C2	REAL300010938622	0	30	-1.0	-46.79	294.16	4.69	-42.10
COC(=O)C1CCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938623	0	41	-1.0	-51.32	339.77	3.44	-47.88
COC1=C(C)C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938624	0	40	-1.0	-48.11	337.54	4.39	-43.72
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(C(=O)OC)S1	REAL300010938625	0	39	-1.0	-52.77	367.34	4.99	-47.78
COCC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938626	0	37	-1.0	-49.27	321.54	3.33	-45.94
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)N=C4SC=CN43)(C1)C2	REAL300010938627	0	30	-1.0	-55.41	292.74	3.44	-51.97
O=C([O-])C12CC(NS(=O)(=O)CC3=CC(C4=CC=CC=C4)=NO3)(C1)C2	REAL300010938628	0	39	-1.0	-52.48	346.44	5.50	-46.98
O=C([O-])C12CC(NS(=O)(=O)C3=CSC(C4=CC=CC=C4)=N3)(C1)C2	REAL300010938629	0	36	-1.0	-49.12	333.04	4.31	-44.81
O=C([O-])C12CC(NS(=O)(=O)C3=CSC(C4=CC=C(Cl)C=C4)=N3)(C1)C2	REAL300010938630	0	36	-1.0	-52.85	352.12	5.22	-47.63
O=C([O-])C12CC(NS(=O)(=O)CCOCC(F)(F)F)(C1)C2	REAL300010938631	0	33	-1.0	-51.21	306.72	1.86	-49.35
CC1=NC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2O1	REAL300010938632	0	35	-1.0	-51.20	309.94	1.25	-49.95
CCC1=CC=CC(CC)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938633	0	42	-1.0	-47.59	319.53	6.79	-40.80
CC1=CC(Br)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938635	0	30	-1.0	-47.42	296.26	3.77	-43.65
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=C(Cl)N=C4C=C3F)(C1)C2	REAL300010938636	0	35	-1.0	-48.74	335.23	4.71	-44.03
CC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938637	0	39	-1.0	-50.64	329.89	5.56	-45.08
CC1=C(Br)SC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300010938638	1	29	-1.0	-48.82	299.39	1.95	-46.87
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938639	0	35	-1.0	-54.60	319.34	5.44	-49.16
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=NC=C(Cl)N=C4C=C3)(C1)C2	REAL300010938640	0	34	-1.0	-49.03	319.17	2.46	-46.57
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938641	0	35	-1.0	-53.51	309.56	5.43	-48.08
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938642	0	38	-1.0	-52.56	332.52	5.56	-47.00
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=C([N+](=O)[O-])C=C3)(C1)C2	REAL300010938643	0	38	-1.0	-53.85	341.19	5.82	-48.03
CC1=NN2C=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=NC2=C1Cl	REAL300010938644	0	35	-1.0	-51.81	331.91	3.73	-48.08
CCCCCCN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(=O)NC1=O	REAL300010938645	0	48	-1.0	-50.50	407.29	4.51	-45.99
O=C([O-])C12CC(NS(=O)(=O)CC3=C(F)C=CC=C3F)(C1)C2	REAL300010938647	0	33	-1.0	-52.89	302.09	4.42	-48.47
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC45CC(C(=O)[O-])(C4)C5)C=CC1=C23	REAL300010938648	0	41	-1.0	-53.00	357.72	5.74	-47.26
N#CC1=CC=C(F)C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938649	0	34	-1.0	-52.73	317.62	4.78	-47.95
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC([N+](=O)[O-])=C1F	REAL300010938650	0	35	-1.0	-46.22	319.31	4.91	-41.31
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938651	0	36	-1.0	-48.68	322.51	5.36	-43.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(=O)N4CCCC4)C(F)=C3)(C1)C2	REAL300010938652	0	44	-1.0	-59.28	372.32	4.81	-54.47
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4NC=CC(Cl)=C34)(C1)C2	REAL300010938653	0	33	-1.0	-64.62	307.54	3.55	-61.07
CC1=CC=C(Br)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938654	0	33	-1.0	-47.90	309.85	5.23	-42.67
CC1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938655	0	33	-1.0	-48.06	306.48	5.05	-43.01
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(F)C=C3F)(C1)C2	REAL300010938656	0	33	-1.0	-48.36	303.20	4.46	-43.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938657	0	41	-1.0	-50.95	366.87	1.27	-49.68
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CN=C3Cl)(C1)C2	REAL300010938658	0	29	-1.0	-50.62	281.60	2.87	-47.75
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=CC=C12	REAL300010938659	0	41	-1.0	-50.70	358.33	4.81	-45.89
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)C=C3Br)(C1)C2	REAL300010938660	0	33	-1.0	-47.18	324.91	5.43	-41.75
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938661	0	38	-1.0	-60.49	355.61	2.11	-58.38
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C(F)C=C3Br)(C1)C2	REAL300010938662	0	30	-1.0	-45.75	298.14	5.04	-40.71
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C(Cl)C=C3Cl)(C1)C2	REAL300010938663	0	29	-1.0	-46.40	297.37	3.01	-43.39
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938664	0	35	-1.0	-49.34	317.09	2.42	-46.92
CS(=O)(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(Cl)S1	REAL300010938665	0	33	-1.0	-57.00	340.68	0.94	-56.06
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCCCC4=C3)(C1)C2	REAL300010938666	0	38	-1.0	-48.85	320.02	4.22	-44.63
CC(C)OC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938667	0	40	-1.0	-49.48	335.65	4.43	-45.05
CC1=C(C)SC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938668	0	33	-1.0	-49.27	300.06	4.01	-45.26
COCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938669	0	37	-1.0	-49.26	321.46	3.32	-45.94
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938670	0	39	-1.0	-59.02	360.20	3.67	-55.35
O=C([O-])C12CC(NC(=O)N(C3=CC=CC=C3)C3=CC=CC=C3)(C1)C2	REAL300010938671	0	41	-1.0	-53.19	348.32	10.49	-42.70
CC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300010938672	0	33	-1.0	-48.25	303.81	4.97	-43.28
CC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Br	REAL300010938673	0	35	-1.0	-49.76	325.38	4.70	-45.06
CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(=O)NCC(F)(F)F	REAL300010938674	0	41	-1.0	-50.15	371.97	2.47	-47.68
COC(=O)C1(C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300010938675	0	43	-1.0	-49.54	364.69	6.21	-43.33
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938676	0	34	-1.0	-49.43	326.58	5.11	-44.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3CN3C=NC=N3)(C1)C2	REAL300010938677	0	39	-1.0	-56.89	337.11	7.60	-49.29
CC1(C)CN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCO1	REAL300010938678	0	39	-1.0	-47.18	313.17	1.87	-45.31
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCOC4=C3)(C1)C2	REAL300010938679	0	33	-1.0	-48.72	292.36	2.24	-46.48
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=NC=CC=C2C=C1	REAL300010938680	0	38	-1.0	-55.04	315.77	5.70	-49.34
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3C3=CC=NO3)(C1)C2	REAL300010938681	0	36	-1.0	-52.07	319.77	5.19	-46.88
CC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C12	REAL300010938682	0	43	-1.0	-60.72	364.74	5.24	-55.48
O=C([O-])C12CC(NS(=O)(=O)CCCN3CCOCC3)(C1)C2	REAL300010938683	0	42	-1.0	-50.33	341.45	0.64	-49.69
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC(F)(F)F)N=C3)(C1)C2	REAL300010938684	0	36	-1.0	-48.86	335.11	1.62	-47.24
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938685	0	39	-1.0	-48.57	349.36	5.23	-43.34
COCC1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938686	0	37	-1.0	-48.59	318.04	3.98	-44.61
CCC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C(C(=O)OC)O1	REAL300010938687	0	39	-1.0	-53.11	351.28	4.11	-49.00
O=C([O-])C12CC(NS(=O)(=O)C3CCCN(C(=O)C4=CC=CC=C4)C3)(C1)C2	REAL300010938688	0	47	-1.0	-58.31	384.19	5.55	-52.76
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938689	0	43	-1.0	-50.39	382.46	5.35	-45.04
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Cl)=C1	REAL300010938690	0	31	-1.0	-47.48	305.83	4.80	-42.68
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938691	0	34	-1.0	-49.29	327.25	4.26	-45.03
O=C([O-])C12CC(NS(=O)(=O)C3=CN4CCCCC4=N3)(C1)C2	REAL300010938692	0	37	-1.0	-51.25	312.85	3.57	-47.68
O=C([O-])C12CC(NS(=O)(=O)CC3=NOC4=CC=CC=C43)(C1)C2	REAL300010938693	0	35	-1.0	-52.22	314.82	3.70	-48.52
O=C([O-])C12CC(NS(=O)(=O)C3CCCN(C(=O)C4CCCC4)C3)(C1)C2	REAL300010938694	0	50	-1.0	-57.95	388.34	5.36	-52.59
O=C([O-])C12CC(NS(=O)(=O)C3CN(C(=O)C4CCCC4)C3)(C1)C2	REAL300010938695	0	44	-1.0	-54.62	360.90	3.99	-50.63
O=C([O-])C12CC(NS(=O)(=O)C3CN(C(=O)C4=CC=CC(Cl)=C4)C3)(C1)C2	REAL300010938696	0	41	-1.0	-56.88	366.66	4.44	-52.44
CCOC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938697	0	36	-1.0	-49.73	315.54	1.15	-48.58
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)N=C3)(C1)C2	REAL300010938698	0	32	-1.0	-50.76	301.85	2.81	-47.95
COC(=O)C1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)SC=N1	REAL300010938699	1	32	-1.0	-49.58	305.21	2.15	-47.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938700	0	36	-1.0	-48.89	327.50	4.30	-44.59
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946001	0	30	-1.0	-59.15	279.76	3.22	-55.93
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946002	0	30	-1.0	-38.43	298.03	3.88	-34.55
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946003	0	43	-1.0	-47.57	375.30	1.95	-45.62
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1OC	REAL300010946004	0	36	-1.0	-46.14	317.62	3.39	-42.75
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946005	0	35	-1.0	-42.24	306.98	3.91	-38.33
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946006	0	36	-1.0	-50.72	299.63	-1.78	-52.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300010946007	0	35	-1.0	-48.97	307.94	2.65	-46.32
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300010946008	0	35	-1.0	-52.76	316.57	3.86	-48.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300010946009	0	39	-1.0	-51.24	344.81	5.53	-45.71
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946010	0	34	-1.0	-48.12	301.35	2.07	-46.05
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1	REAL300010946012	0	33	-1.0	-49.45	300.82	3.93	-45.52
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1F	REAL300010946013	0	32	-1.0	-41.74	304.48	3.33	-38.41
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010946014	0	30	-1.0	-42.64	297.84	2.99	-39.65
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010946015	0	36	-1.0	-48.58	335.97	4.68	-43.90
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(Br)O1	REAL300010946016	0	29	-1.0	-41.98	299.90	1.96	-40.02
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C(Br)S1	REAL300010946017	0	26	-1.0	-41.36	267.66	2.97	-38.39
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946018	0	27	-1.0	-38.13	271.75	3.48	-34.65
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300010946019	0	34	-1.0	-45.87	289.99	5.38	-40.49
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946020	0	32	-1.0	-45.40	308.66	3.85	-41.55
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946021	0	35	-1.0	-55.63	315.92	0.89	-54.74
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300010946022	0	30	-1.0	-37.81	286.75	4.53	-33.28
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010946023	0	27	-1.0	-39.16	271.84	3.51	-35.65
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946024	0	42	-1.0	-46.72	348.56	4.54	-42.18
O=C([O-])C1(NS(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CC1	REAL300010946025	0	37	-1.0	-47.22	323.75	2.69	-44.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300010946026	0	38	-1.0	-47.14	346.69	0.64	-46.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946027	0	34	-1.0	-58.08	318.76	-1.07	-59.15
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946028	0	36	-1.0	-65.31	338.66	1.70	-63.61
COC(=O)C1=C(C)OC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946029	0	32	-1.0	-53.40	296.69	2.77	-50.63
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010946030	1	28	-1.0	-64.43	268.26	4.47	-59.96
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010946031	0	29	-1.0	-37.84	292.82	4.50	-33.34
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C)N1	REAL300010946032	0	39	-1.0	-60.20	335.43	3.33	-56.87
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010946033	0	26	-1.0	-60.94	263.75	3.76	-57.18
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)S2)=CS1	REAL300010946034	0	32	-1.0	-56.15	321.94	3.32	-52.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300010946035	0	46	-1.0	-42.14	372.25	6.41	-35.73
O=C([O-])C1(NS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CC1	REAL300010946036	0	36	-1.0	-47.02	332.87	2.28	-44.74
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(I)=C2)CC1	REAL300010946037	0	26	-1.0	-39.73	263.40	3.81	-35.92
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946038	0	35	-1.0	-49.58	311.54	4.18	-45.40
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010946039	0	28	-1.0	-41.80	276.53	4.63	-37.17
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300010946040	0	34	-1.0	-45.89	305.36	1.85	-44.04
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300010946041	0	37	-1.0	-47.93	315.30	2.72	-45.21
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010946042	1	28	-1.0	-40.39	290.30	5.45	-34.94
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CC1	REAL300010946043	0	29	-1.0	-59.58	281.05	3.62	-55.96
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946044	0	27	-1.0	-38.90	275.70	3.39	-35.51
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010946045	0	32	-1.0	-41.12	311.96	4.00	-37.12
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946046	0	29	-1.0	-39.81	275.04	3.87	-35.94
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2Br)NC(=O)N3)CC1	REAL300010946047	0	30	-1.0	-40.74	292.88	0.16	-40.58
COC(=O)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300010946048	0	32	-1.0	-49.54	295.52	1.43	-48.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300010946049	0	32	-1.0	-44.83	296.02	5.36	-39.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300010946050	0	31	-1.0	-37.15	294.19	4.80	-32.35
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946051	0	35	-1.0	-42.29	333.68	4.92	-37.37
CC1=C(Br)SC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946052	0	26	-1.0	-53.69	275.69	3.09	-50.60
CC1=C(Br)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946053	0	31	-1.0	-38.22	298.86	4.46	-33.76
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(F)=C1F	REAL300010946054	0	32	-1.0	-40.58	301.35	3.46	-37.12
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300010946055	0	44	-1.0	-39.41	312.19	4.14	-35.27
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300010946056	0	34	-1.0	-52.51	302.74	3.73	-48.78
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300010946057	0	37	-1.0	-45.13	313.32	1.20	-43.93
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1Br	REAL300010946058	0	29	-1.0	-42.85	275.45	3.92	-38.93
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946059	0	32	-1.0	-47.85	298.10	3.96	-43.89
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300010946060	0	34	-1.0	-43.28	294.11	0.41	-42.87
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010946061	0	32	-1.0	-41.34	291.06	3.43	-37.91
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946062	0	32	-1.0	-43.22	295.37	4.51	-38.71
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946063	0	32	-1.0	-41.73	306.67	3.83	-37.90
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010946064	0	39	-1.0	-48.64	331.80	5.21	-43.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300010946065	0	31	-1.0	-50.18	283.96	2.89	-47.29
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300010946066	0	33	-1.0	-47.38	296.65	3.78	-43.60
CS(=O)(=O)C1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946067	0	32	-1.0	-53.82	317.96	0.88	-52.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300010946068	0	40	-1.0	-44.92	355.66	4.85	-40.07
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)CC1	REAL300010946069	0	28	-1.0	-41.89	280.01	3.85	-38.04
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946070	0	40	-1.0	-44.63	346.09	3.03	-41.60
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946071	0	42	-1.0	-54.50	357.99	5.34	-49.16
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010946072	0	28	-1.0	-58.86	275.23	4.99	-53.87
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1F	REAL300010946073	0	32	-1.0	-42.99	294.94	3.38	-39.61
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300010946074	0	32	-1.0	-40.25	321.22	4.23	-36.02
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946075	0	36	-1.0	-50.50	324.16	2.89	-47.61
COC(=O)C1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946076	0	29	-1.0	-53.51	290.49	2.44	-51.07
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946077	0	38	-1.0	-48.65	327.07	4.65	-44.00
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C	REAL300010946078	0	35	-1.0	-41.78	307.02	3.90	-37.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946079	0	32	-1.0	-58.49	288.36	3.70	-54.79
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300010946080	0	32	-1.0	-56.99	291.16	4.44	-52.55
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300010946081	0	25	-1.0	-38.68	252.08	1.53	-37.15
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300010946082	0	30	-1.0	-41.44	295.64	4.03	-37.41
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946083	0	40	-1.0	-44.50	346.63	0.61	-43.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)CC1	REAL300010946084	0	26	-1.0	-38.48	262.54	3.34	-35.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300010946085	0	33	-1.0	-58.91	300.72	0.59	-58.32
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946086	0	29	-1.0	-41.67	275.33	4.04	-37.63
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946087	0	30	-1.0	-40.72	285.53	2.67	-38.05
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010946088	0	37	-1.0	-44.30	313.13	3.97	-40.33
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946089	0	34	-1.0	-45.53	314.19	-0.55	-46.08
CCC(=O)NCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1OC	REAL300010946090	0	43	-1.0	-42.21	366.61	1.89	-40.32
COC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946091	0	30	-1.0	-44.27	286.70	2.65	-41.62
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946092	0	35	-1.0	-43.07	317.85	1.13	-41.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CC1	REAL300010946093	0	28	-1.0	-40.12	283.95	2.62	-37.50
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946094	0	31	-1.0	-49.02	294.41	3.59	-45.43
N#CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946095	0	27	-1.0	-36.84	277.88	3.71	-33.13
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946096	0	33	-1.0	-42.03	307.30	3.57	-38.46
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CC1	REAL300010946097	0	31	-1.0	-39.94	286.55	-1.88	-41.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2S1	REAL300010946098	0	40	-1.0	-44.83	348.78	4.66	-40.17
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946099	0	31	-1.0	-44.91	295.71	2.55	-42.36
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300010946100	0	34	-1.0	-51.29	297.16	4.03	-47.26
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946101	0	42	-1.0	-55.06	375.71	1.24	-53.82
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946102	0	36	-1.0	-45.05	315.92	3.63	-41.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300010946103	0	31	-1.0	-55.33	283.38	3.26	-52.07
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946104	0	34	-1.0	-47.43	312.36	-1.10	-48.53
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946105	0	35	-1.0	-49.13	309.20	4.36	-44.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300010946106	0	30	-1.0	-46.74	279.14	2.48	-44.26
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946107	0	38	-1.0	-42.04	337.39	4.95	-37.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCCC3)=C2)CC1	REAL300010946108	0	44	-1.0	-50.19	372.83	2.72	-47.47
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)CC1	REAL300010946109	0	32	-1.0	-45.67	301.69	2.50	-43.17
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300010946110	0	32	-1.0	-57.19	302.96	4.43	-52.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)CC1	REAL300010946111	0	25	-1.0	-40.42	265.93	1.71	-38.71
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946112	0	29	-1.0	-42.98	277.92	4.13	-38.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300010946113	0	34	-1.0	-42.71	295.49	1.90	-40.81
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946114	0	42	-1.0	-58.72	357.41	3.66	-55.06
COC1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300010946115	0	34	-1.0	-44.12	315.95	2.56	-41.56
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OCC	REAL300010946116	0	40	-1.0	-45.21	338.00	3.72	-41.49
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010946117	0	32	-1.0	-67.88	278.34	2.02	-65.86
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946118	0	31	-1.0	-59.11	296.33	-2.28	-61.39
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300010946119	0	37	-1.0	-52.08	315.27	3.91	-48.17
CC(=O)N1CCCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946120	0	40	-1.0	-53.05	327.71	4.24	-48.81
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300010946121	0	34	-1.0	-44.60	300.58	4.67	-39.93
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946122	0	37	-1.0	-53.81	314.93	3.78	-50.03
CC(=O)N1C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2CC1C	REAL300010946123	0	40	-1.0	-43.03	330.32	4.29	-38.74
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=CS1	REAL300010946124	0	29	-1.0	-45.61	280.21	2.97	-42.64
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946125	0	29	-1.0	-53.51	290.20	2.55	-50.96
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010946126	0	30	-1.0	-38.75	292.18	3.87	-34.88
CCOC(=O)C1=CNN=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946127	0	32	-1.0	-49.45	288.92	1.22	-48.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)CC1	REAL300010946128	0	32	-1.0	-41.44	292.24	-0.28	-41.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CC1	REAL300010946129	0	32	-1.0	-43.22	286.40	-0.04	-43.26
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)CC1	REAL300010946130	0	32	-1.0	-43.06	304.56	0.41	-42.65
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2N=C1	REAL300010946131	0	34	-1.0	-49.23	297.41	3.78	-45.45
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300010946132	0	32	-1.0	-45.90	289.26	3.41	-42.49
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946133	0	30	-1.0	-43.39	286.90	3.01	-40.38
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300010946134	0	30	-1.0	-41.24	281.84	3.04	-38.20
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946135	0	31	-1.0	-41.97	289.87	-2.32	-44.29
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CC1	REAL300010946136	0	38	-1.0	-47.06	344.77	0.57	-46.49
O=C([O-])C1(NS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010946137	0	31	-1.0	-38.34	287.23	4.14	-34.20
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)CC1	REAL300010946138	0	32	-1.0	-41.70	291.18	-0.90	-42.60
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946139	0	32	-1.0	-52.16	298.39	0.32	-51.84
CN1C(=O)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C1=O	REAL300010946140	0	33	-1.0	-42.73	301.46	1.97	-40.76
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946141	0	34	-1.0	-36.00	294.44	4.48	-31.52
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300010946142	0	34	-1.0	-48.21	296.89	3.87	-44.34
CN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946143	0	32	-1.0	-42.22	289.80	2.67	-39.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CC1	REAL300010946144	0	31	-1.0	-44.84	288.45	4.08	-40.76
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946145	0	34	-1.0	-48.06	301.67	5.53	-42.53
CCOC(=O)C1CCCN(S(=O)(=O)NC2(C(=O)[O-])CC2)C1	REAL300010946146	0	40	-1.0	-39.51	319.61	3.17	-36.34
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946147	0	30	-1.0	-41.41	304.45	3.80	-37.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300010946148	0	30	-1.0	-40.45	281.61	2.50	-37.95
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946149	0	37	-1.0	-49.70	331.15	0.67	-49.03
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010946150	0	28	-1.0	-43.22	279.31	4.84	-38.38
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300010946151	0	38	-1.0	-48.63	321.83	1.98	-46.65
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300010946152	0	36	-1.0	-61.53	306.16	6.95	-54.58
CCOC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946153	0	35	-1.0	-46.57	312.27	4.29	-42.28
CCOC(=O)N1CCC(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946154	0	40	-1.0	-39.08	320.62	2.28	-36.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300010946155	0	26	-1.0	-40.17	260.56	3.18	-36.99
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946156	0	31	-1.0	-45.08	286.52	4.16	-40.92
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946157	0	33	-1.0	-45.37	313.07	3.71	-41.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946158	0	41	-1.0	-45.66	334.30	5.75	-39.91
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300010946159	0	26	-1.0	-38.31	267.46	3.64	-34.67
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300010946160	0	26	-1.0	-40.18	270.61	3.70	-36.48
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300010946161	0	29	-1.0	-40.85	274.67	3.73	-37.12
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300010946162	0	29	-1.0	-42.37	266.32	4.14	-38.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CC1	REAL300010946163	0	29	-1.0	-38.96	287.58	4.13	-34.83
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300010946164	0	29	-1.0	-39.98	292.68	4.19	-35.79
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)=CO1	REAL300010946165	0	35	-1.0	-57.07	318.46	1.80	-55.27
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)CC1	REAL300010946166	0	25	-1.0	-37.64	262.72	1.79	-35.85
COC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946167	0	30	-1.0	-44.69	283.33	2.49	-42.20
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300010946168	0	35	-1.0	-48.06	317.90	5.57	-42.49
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=C3CCC(=O)NC3=C2)CC1	REAL300010946169	0	34	-1.0	-43.71	317.05	2.54	-41.17
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946170	0	35	-1.0	-45.27	314.64	4.24	-41.03
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=N2)C=C1	REAL300010946171	0	36	-1.0	-47.14	318.05	4.46	-42.68
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946172	0	37	-1.0	-55.25	314.93	3.78	-51.47
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946173	0	27	-1.0	-42.03	274.38	3.28	-38.75
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(=O)N(C)C	REAL300010946174	0	40	-1.0	-50.69	337.04	2.69	-48.00
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300010946175	0	34	-1.0	-43.15	309.41	3.82	-39.33
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010946176	0	31	-1.0	-38.58	279.36	3.84	-34.74
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300010946177	0	40	-1.0	-39.54	351.23	5.35	-34.19
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300010946178	0	37	-1.0	-50.06	323.58	3.41	-46.65
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010946179	0	32	-1.0	-39.97	313.20	3.72	-36.25
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946180	0	36	-1.0	-57.09	306.30	2.82	-54.27
CC(=O)NC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C	REAL300010946181	0	36	-1.0	-54.42	311.00	2.52	-51.90
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946182	0	38	-1.0	-44.33	309.95	3.27	-41.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)CC1	REAL300010946183	0	32	-1.0	-42.63	287.06	1.78	-40.85
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946184	0	35	-1.0	-56.97	315.50	4.42	-52.55
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(OC)=C1	REAL300010946185	0	34	-1.0	-45.81	295.34	1.33	-44.48
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946186	0	34	-1.0	-39.30	296.04	4.88	-34.42
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C)O1	REAL300010946187	0	32	-1.0	-47.13	298.79	2.16	-44.97
COC(=O)C1=NSC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946188	0	28	-1.0	-44.96	274.32	1.44	-43.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CC1	REAL300010946189	0	34	-1.0	-48.44	295.30	1.18	-47.26
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1C	REAL300010946190	0	33	-1.0	-45.47	297.17	2.76	-42.71
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946191	0	37	-1.0	-53.61	324.71	4.61	-49.00
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)CC1	REAL300010946192	0	29	-1.0	-56.17	286.82	4.00	-52.17
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010946193	0	35	-1.0	-41.10	333.82	4.93	-36.17
CCOC(=O)C1CCCN1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946194	0	37	-1.0	-41.76	308.06	3.58	-38.18
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1C	REAL300010946195	0	34	-1.0	-44.94	300.37	0.35	-44.59
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=C3NC(=O)COC3=C2)CC1	REAL300010946196	0	32	-1.0	-42.73	307.93	0.58	-42.15
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)CC1	REAL300010946197	0	34	-1.0	-44.23	313.69	2.37	-41.86
COC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946198	0	35	-1.0	-41.49	313.81	4.14	-37.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)CC1	REAL300010946199	0	37	-1.0	-42.46	311.15	2.85	-39.61
COC(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946200	0	35	-1.0	-68.53	319.04	4.09	-64.44
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)O1	REAL300010946201	0	32	-1.0	-44.66	297.60	3.05	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300010946202	0	37	-1.0	-45.51	319.89	6.83	-38.68
COC(=O)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946203	0	36	-1.0	-45.55	325.12	3.49	-42.06
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946204	0	39	-1.0	-47.52	346.07	3.64	-43.88
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010946205	0	29	-1.0	-42.83	278.01	4.93	-37.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CC1	REAL300010946206	0	28	-1.0	-41.81	281.09	4.73	-37.08
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946207	0	31	-1.0	-45.21	273.05	4.85	-40.36
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)CC1	REAL300010946208	0	28	-1.0	-37.20	285.46	4.01	-33.19
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010946209	0	23	-1.0	-53.93	238.62	2.73	-51.20
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300010946210	0	34	-1.0	-54.67	281.81	3.60	-51.07
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)CC1	REAL300010946211	0	34	-1.0	-44.44	306.47	1.83	-42.61
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010946212	0	25	-1.0	-39.81	270.35	1.88	-37.93
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CC1	REAL300010946213	0	28	-1.0	-53.78	261.88	3.74	-50.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)CC1	REAL300010946214	0	28	-1.0	-38.30	279.94	3.80	-34.50
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946215	0	35	-1.0	-62.29	318.59	2.00	-60.29
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010946216	0	31	-1.0	-47.20	292.53	3.39	-43.81
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010946217	0	28	-1.0	-45.60	270.50	4.03	-41.57
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CC1	REAL300010946218	0	28	-1.0	-38.62	270.38	3.46	-35.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300010946219	0	33	-1.0	-41.39	310.18	3.26	-38.13
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300010946220	0	28	-1.0	-43.07	283.87	4.94	-38.13
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300010946221	0	40	-1.0	-55.85	353.39	6.04	-49.81
CC1(C)C2CCC1(CS(=O)(=O)NC1(C(=O)[O-])CC1)C(=O)C2	REAL300010946222	0	41	-1.0	-48.13	312.11	5.23	-42.90
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946223	0	34	-1.0	-66.96	307.47	-0.21	-67.17
CCOC(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946224	0	39	-1.0	-40.88	314.53	1.39	-39.49
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=C(Cl)N=C2C=C1	REAL300010946225	0	35	-1.0	-55.48	318.79	4.39	-51.09
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300010946226	0	36	-1.0	-45.69	322.07	4.22	-41.47
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946227	0	48	-1.0	-43.46	371.63	5.82	-37.64
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946228	0	32	-1.0	-45.24	311.89	4.00	-41.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946229	0	34	-1.0	-48.63	310.85	-0.52	-49.15
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1F	REAL300010946230	0	32	-1.0	-43.01	300.72	0.26	-42.75
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946231	0	33	-1.0	-46.30	309.31	3.62	-42.68
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946232	0	38	-1.0	-44.60	326.38	4.25	-40.35
CC1=CN(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2F)N=C1	REAL300010946233	0	36	-1.0	-45.59	320.15	4.72	-40.87
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946234	0	33	-1.0	-55.74	318.17	2.63	-53.11
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946235	0	33	-1.0	-45.91	299.10	-2.51	-48.42
CC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946236	0	31	-1.0	-42.57	301.01	4.41	-38.16
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300010946237	0	32	-1.0	-55.78	292.70	4.63	-51.15
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)SC(Br)=C2)CC1	REAL300010946238	0	23	-1.0	-37.69	268.71	2.84	-34.85
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CC1	REAL300010946239	0	38	-1.0	-45.10	328.40	4.64	-40.46
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2F)CC1	REAL300010946240	0	26	-1.0	-55.20	254.89	3.67	-51.53
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010946241	0	32	-1.0	-39.47	289.97	4.21	-35.26
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300010946242	0	32	-1.0	-45.89	301.30	4.09	-41.80
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300010946243	0	34	-1.0	-44.74	302.39	2.46	-42.28
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946244	0	33	-1.0	-44.26	303.91	3.34	-40.92
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2F)CC1	REAL300010946245	0	29	-1.0	-41.45	285.96	4.15	-37.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)CC1	REAL300010946246	0	35	-1.0	-58.52	323.69	5.60	-52.92
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CC1	REAL300010946247	0	28	-1.0	-40.61	285.50	4.01	-36.60
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946248	0	32	-1.0	-45.11	292.48	4.26	-40.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300010946249	0	38	-1.0	-58.21	334.28	1.30	-56.91
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CN=C2S1	REAL300010946250	0	40	-1.0	-42.36	360.07	4.32	-38.04
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300010946251	0	33	-1.0	-38.67	305.01	3.27	-35.40
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)CC1	REAL300010946252	0	26	-1.0	-40.10	275.17	3.81	-36.29
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946253	0	34	-1.0	-47.16	320.06	2.49	-44.67
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CN=C21	REAL300010946254	0	34	-1.0	-40.40	305.23	0.14	-40.26
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946255	0	35	-1.0	-45.10	333.75	4.93	-40.17
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(Br)C=C1F	REAL300010946256	0	32	-1.0	-40.53	316.46	4.03	-36.50
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1F	REAL300010946257	0	35	-1.0	-43.21	316.80	4.31	-38.90
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300010946258	0	34	-1.0	-47.80	303.33	3.25	-44.55
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300010946259	0	29	-1.0	-54.83	298.03	4.73	-50.10
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300010946260	0	32	-1.0	-57.93	308.19	5.61	-52.32
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300010946261	0	29	-1.0	-42.59	295.39	4.42	-38.17
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)CC1	REAL300010946262	0	32	-1.0	-47.39	292.41	5.74	-41.65
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300010946263	0	32	-1.0	-46.07	298.30	5.45	-40.62
COC1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946264	0	30	-1.0	-41.30	302.76	3.21	-38.09
CCOC(=O)C1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010946265	0	40	-1.0	-42.91	349.19	4.95	-37.96
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946266	0	32	-1.0	-49.94	300.64	0.23	-49.71
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946267	0	39	-1.0	-47.21	346.68	4.14	-43.07
O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300010946268	0	37	-1.0	-44.59	335.25	-0.19	-44.78
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946269	1	27	-1.0	-38.65	265.93	3.43	-35.22
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946270	0	31	-1.0	-43.68	297.46	4.55	-39.13
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946271	0	29	-1.0	-45.21	283.54	3.29	-41.92
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946272	0	32	-1.0	-43.98	303.28	4.72	-39.26
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946273	0	38	-1.0	-51.13	318.50	3.24	-47.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946274	0	32	-1.0	-43.30	296.38	0.23	-43.07
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300010946275	0	42	-1.0	-45.78	355.24	0.41	-45.37
CCOC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946276	0	40	-1.0	-46.49	319.73	3.22	-43.27
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946277	0	34	-1.0	-52.16	302.55	3.78	-48.38
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)CC1	REAL300010946278	0	41	-1.0	-51.04	357.63	1.86	-49.18
CCC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946279	0	36	-1.0	-46.31	313.87	2.49	-43.82
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)CC1	REAL300010946280	0	29	-1.0	-42.21	281.06	4.01	-38.20
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946281	0	35	-1.0	-61.81	308.60	4.51	-57.30
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946282	0	45	-1.0	-46.68	370.03	6.30	-40.38
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300010946283	0	29	-1.0	-58.41	291.26	4.34	-54.07
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946284	0	33	-1.0	-47.11	312.57	2.10	-45.01
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946285	0	30	-1.0	-41.62	299.39	3.04	-38.58
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946286	0	38	-1.0	-53.66	322.99	1.36	-52.30
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CS1	REAL300010946287	0	29	-1.0	-41.42	282.96	2.41	-39.01
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946288	0	35	-1.0	-43.90	323.09	5.04	-38.86
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300010946289	0	37	-1.0	-44.60	347.07	5.97	-38.63
COC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300010946290	0	35	-1.0	-44.34	305.86	3.98	-40.36
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CC1	REAL300010946291	0	28	-1.0	-38.74	285.27	4.01	-34.73
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946292	0	30	-1.0	-41.76	296.98	3.40	-38.36
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946293	0	38	-1.0	-56.14	317.38	3.27	-52.87
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)=C1	REAL300010946294	0	40	-1.0	-45.22	351.76	6.14	-39.08
CN(CCS(=O)(=O)NC1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010946295	0	40	-1.0	-41.79	358.76	1.66	-40.13
CN1C(=O)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946296	0	34	-1.0	-41.88	298.51	3.15	-38.73
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COC(=O)C1CCN(S(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946298	0	37	-1.0	-46.33	297.87	2.29	-44.04
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C(=O)OC)S1	REAL300010946299	0	35	-1.0	-47.09	336.81	3.85	-43.24
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O=C([O-])C1(NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)CC1	REAL300010946301	0	39	-1.0	-53.55	356.75	4.89	-48.66
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COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1NC(=O)C1=CC=CC=N1	REAL300010946303	0	43	-1.0	-52.23	373.90	2.44	-49.79
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300010946304	0	32	-1.0	-48.77	294.92	4.02	-44.75
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CC1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946307	0	26	-1.0	-54.62	272.88	3.32	-51.30
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)CC1	REAL300010946308	0	31	-1.0	-45.43	304.55	3.45	-41.98
CC1=C(Br)SC(S(=O)(=O)NC2(C(=O)[O-])CC2)=N1	REAL300010946309	1	25	-1.0	-37.67	258.88	0.84	-36.83
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946310	0	31	-1.0	-43.69	289.35	4.21	-39.48
O=C([O-])C1(NS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)CC1	REAL300010946311	0	30	-1.0	-42.86	288.42	1.57	-41.29
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010946312	0	31	-1.0	-50.92	277.51	4.56	-46.36
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010946313	0	34	-1.0	-48.56	299.57	4.64	-43.92
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010946314	0	34	-1.0	-59.25	313.94	4.89	-54.36
CC1=NN2C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=NC2=C1Cl	REAL300010946315	0	31	-1.0	-45.11	295.58	2.46	-42.65
CCCCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300010946316	0	44	-1.0	-67.50	367.23	3.91	-63.59
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC4(C(=O)[O-])CC4)C=CC1=C23	REAL300010946318	0	37	-1.0	-47.66	326.68	4.48	-43.18
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1F	REAL300010946319	0	31	-1.0	-42.29	288.71	4.04	-38.25
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946320	0	32	-1.0	-43.72	292.96	4.27	-39.45
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010946321	0	44	-1.0	-51.83	386.49	0.92	-50.91
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010946322	0	41	-1.0	-52.14	365.00	0.14	-52.00
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946323	1	41	-1.0	-49.90	356.27	-0.24	-50.14
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946324	0	40	-1.0	-44.45	357.15	1.13	-43.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)CC1	REAL300010946325	0	40	-1.0	-48.54	341.69	3.91	-44.63
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CC1	REAL300010946326	0	29	-1.0	-75.55	280.54	2.66	-72.89
CC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946327	0	29	-1.0	-42.65	278.73	4.01	-38.64
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946328	0	37	-1.0	-44.78	335.65	0.33	-44.45
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010946329	0	25	-1.0	-51.49	255.60	2.01	-49.48
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C12	REAL300010946330	0	37	-1.0	-46.57	330.07	3.73	-42.84
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=C(Br)C=C3)C=C2)CC1	REAL300010946331	0	36	-1.0	-41.85	333.16	6.83	-35.02
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)CC1	REAL300010946332	0	29	-1.0	-39.83	292.79	4.57	-35.26
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946333	0	34	-1.0	-53.40	324.75	0.78	-52.62
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CC1	REAL300010946334	0	26	-1.0	-37.52	269.20	4.18	-33.34
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010946335	0	25	-1.0	-38.92	266.17	1.81	-37.11
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300010946336	0	31	-1.0	-41.59	286.42	1.54	-40.05
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(Cl)S1	REAL300010946337	0	29	-1.0	-51.27	309.95	-0.30	-51.57
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946338	0	45	-1.0	-64.58	397.41	3.75	-60.83
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946339	0	40	-1.0	-62.46	377.88	0.40	-62.06
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946340	0	35	-1.0	-52.27	327.06	2.23	-50.04
CC(=O)NC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946341	0	36	-1.0	-46.94	330.53	3.16	-43.78
CC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946342	0	31	-1.0	-40.10	293.23	3.75	-36.35
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(=O)NCC(F)(F)F	REAL300010946343	0	37	-1.0	-43.21	341.17	1.65	-41.56
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300010946344	0	39	-1.0	-44.63	334.02	5.35	-39.28
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946345	0	30	-1.0	-44.35	294.47	4.25	-40.10
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300010946346	0	35	-1.0	-53.66	304.14	6.29	-47.37
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300010946347	0	34	-1.0	-67.82	297.05	4.97	-62.85
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300010946348	0	32	-1.0	-44.00	292.80	4.76	-39.24
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010946349	0	39	-1.0	-54.81	331.53	3.91	-50.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300010946350	0	32	-1.0	-39.21	304.29	0.80	-38.41
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946351	0	35	-1.0	-42.18	318.79	4.38	-37.80
CCC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C(C(=O)OC)O1	REAL300010946352	0	35	-1.0	-47.74	312.84	2.77	-44.97
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CC1	REAL300010946353	0	43	-1.0	-59.90	348.18	4.59	-55.31
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946354	0	39	-1.0	-46.45	352.24	4.37	-42.08
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Cl)=C1	REAL300010946355	0	27	-1.0	-37.88	274.65	3.57	-34.31
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946356	0	30	-1.0	-42.69	296.43	2.87	-39.82
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1	REAL300010946357	0	46	-1.0	-70.45	360.86	4.33	-66.12
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC(Cl)=C3)C2)CC1	REAL300010946358	0	43	-1.0	-53.11	366.38	4.85	-48.26
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1	REAL300010946359	0	40	-1.0	-54.17	329.57	3.49	-50.68
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CC1	REAL300010946360	0	37	-1.0	-62.85	340.28	4.13	-58.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300010946361	0	28	-1.0	-38.77	271.85	2.02	-36.75
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)SC=N1	REAL300010946362	1	28	-1.0	-63.47	268.64	1.20	-62.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946363	0	32	-1.0	-42.31	296.93	3.44	-38.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010947001	0	28	-1.0	-50.02	272.66	3.26	-46.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010947002	0	31	-1.0	-50.43	306.42	4.42	-46.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010947003	0	31	-1.0	-50.82	295.23	3.97	-46.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010947004	0	31	-1.0	-50.99	281.65	4.50	-46.49
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010947005	0	39	-1.0	-54.34	356.39	6.30	-48.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010947006	0	28	-1.0	-50.01	274.40	3.75	-46.26
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947007	0	34	-1.0	-52.42	295.69	3.45	-48.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010947008	0	31	-1.0	-49.04	310.92	4.53	-44.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010947009	0	28	-1.0	-50.29	277.91	3.58	-46.71
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)C=C1	REAL300010947010	0	43	-1.0	-52.86	369.09	5.05	-47.81
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947011	0	35	-1.0	-55.75	321.08	2.42	-53.33
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947012	0	44	-1.0	-55.71	360.84	6.20	-49.51
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1Cl	REAL300010947013	0	31	-1.0	-55.41	289.83	4.71	-50.70
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010947014	0	31	-1.0	-57.25	305.12	4.71	-52.54
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947015	0	38	-1.0	-56.25	320.83	4.68	-51.57
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(N)=O	REAL300010947016	0	35	-1.0	-53.39	301.50	0.37	-53.02
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(N)=O	REAL300010947017	0	36	-1.0	-55.39	312.71	0.29	-55.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010947018	0	46	-1.0	-55.77	388.01	2.90	-52.87
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947019	0	33	-1.0	-49.95	295.57	4.49	-45.46
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947020	0	35	-1.0	-62.65	302.01	1.47	-61.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947021	0	33	-1.0	-51.84	288.87	4.28	-47.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947022	0	34	-1.0	-53.97	322.40	4.07	-49.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010947023	0	27	-1.0	-53.61	261.04	2.77	-50.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010947024	0	37	-1.0	-67.06	335.92	1.10	-65.96
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1F	REAL300010947025	0	35	-1.0	-61.96	312.64	1.91	-60.05
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C21	REAL300010947026	0	42	-1.0	-66.51	343.90	4.56	-61.95
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1C	REAL300010947027	0	38	-1.0	-54.42	311.82	3.73	-50.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010947028	0	28	-1.0	-52.69	274.41	3.74	-48.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010947029	0	39	-1.0	-53.47	334.21	2.40	-51.07
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010947030	0	31	-1.0	-56.61	294.50	4.36	-52.25
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010947031	0	28	-1.0	-50.05	287.03	3.99	-46.06
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947032	0	41	-1.0	-62.62	354.28	2.71	-59.91
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947033	0	42	-1.0	-62.32	349.68	1.79	-60.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947034	0	36	-1.0	-58.08	311.79	5.41	-52.67
COCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947035	0	38	-1.0	-53.96	327.45	3.42	-50.54
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947036	0	44	-1.0	-52.75	362.79	5.24	-47.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010947037	0	42	-1.0	-52.69	345.53	5.13	-47.56
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947038	0	41	-1.0	-52.99	343.83	4.63	-48.36
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947039	0	38	-1.0	-53.03	323.72	3.93	-49.10
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947040	0	32	-1.0	-53.74	296.42	2.77	-50.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010947041	0	32	-1.0	-53.03	306.18	3.04	-49.99
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1OC(C)C	REAL300010947042	0	41	-1.0	-53.44	340.28	4.51	-48.93
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947043	0	39	-1.0	-55.29	335.85	2.40	-52.89
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947044	0	39	-1.0	-60.97	341.66	2.58	-58.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010947045	0	43	-1.0	-54.48	355.56	2.35	-52.13
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Br)=C1	REAL300010947046	0	31	-1.0	-54.06	289.42	4.35	-49.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010947047	0	34	-1.0	-49.40	319.67	0.82	-48.58
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947048	0	34	-1.0	-58.98	312.18	4.94	-54.04
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947049	0	34	-1.0	-53.80	326.96	4.18	-49.62
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947050	0	32	-1.0	-56.28	288.19	3.37	-52.91
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010947051	0	32	-1.0	-52.95	308.42	4.25	-48.70
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947052	0	45	-1.0	-58.66	388.93	2.09	-56.57
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1OC	REAL300010947053	0	38	-1.0	-56.26	332.99	3.61	-52.65
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947054	0	37	-1.0	-52.65	321.72	4.11	-48.54
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010947055	0	38	-1.0	-61.74	324.80	-1.14	-62.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010947056	0	37	-1.0	-60.77	319.58	2.98	-57.79
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010947057	0	37	-1.0	-56.49	324.74	4.22	-52.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010947058	0	41	-1.0	-59.06	355.70	5.92	-53.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010947059	0	36	-1.0	-66.08	317.39	2.32	-63.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010947061	0	35	-1.0	-57.91	315.94	4.15	-53.76
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1F	REAL300010947062	0	34	-1.0	-56.78	307.97	3.32	-53.46
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010947063	0	32	-1.0	-44.61	303.10	3.11	-41.50
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010947064	0	38	-1.0	-54.24	345.58	4.95	-49.29
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(Br)O1	REAL300010947065	0	31	-1.0	-48.68	295.20	1.82	-46.86
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C(Br)S1	REAL300010947066	0	28	-1.0	-52.14	283.30	3.45	-48.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010947067	0	29	-1.0	-51.39	287.11	3.71	-47.68
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300010947068	0	36	-1.0	-59.51	300.43	5.94	-53.57
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947069	0	34	-1.0	-41.54	313.75	3.97	-37.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947070	0	37	-1.0	-63.44	326.49	1.33	-62.11
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010947071	0	32	-1.0	-52.46	295.77	4.87	-47.59
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010947072	0	29	-1.0	-52.16	287.15	3.73	-48.43
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947073	0	44	-1.0	-54.34	363.10	4.68	-49.66
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010947074	0	39	-1.0	-64.50	338.93	2.88	-61.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010947075	0	40	-1.0	-55.52	359.92	0.76	-54.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947076	0	36	-1.0	-55.98	327.49	-0.92	-56.90
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947077	0	38	-1.0	-62.78	346.89	1.86	-60.92
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947078	0	34	-1.0	-52.47	309.80	2.43	-50.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010947079	1	30	-1.0	-64.51	277.34	4.65	-59.86
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010947080	0	31	-1.0	-55.92	306.67	4.75	-51.17
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C)N1	REAL300010947081	0	41	-1.0	-55.87	346.92	3.57	-52.30
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010947082	0	28	-1.0	-58.21	270.18	3.82	-54.39
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S2)=CS1	REAL300010947083	0	34	-1.0	-54.10	330.19	3.48	-50.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010947084	0	48	-1.0	-52.84	385.46	6.53	-46.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010947085	0	38	-1.0	-58.90	348.17	2.49	-56.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(I)=C1	REAL300010947086	0	28	-1.0	-51.94	278.69	4.01	-47.93
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947087	0	37	-1.0	-61.21	320.67	4.53	-56.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010947088	0	30	-1.0	-54.44	285.01	5.01	-49.43
COC1=CC(F)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010947089	0	36	-1.0	-55.29	304.36	1.80	-53.49
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010947090	0	39	-1.0	-55.61	326.02	3.05	-52.56
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010947091	1	30	-1.0	-53.39	297.76	5.60	-47.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010947092	0	31	-1.0	-56.89	289.77	3.73	-53.16
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010947093	0	29	-1.0	-53.70	286.48	3.75	-49.95
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Br)=C1	REAL300010947094	0	34	-1.0	-51.71	322.73	4.36	-47.35
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947095	0	31	-1.0	-52.17	290.40	4.10	-48.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010947096	0	32	-1.0	-53.60	303.93	0.50	-53.10
COC(=O)CN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300010947097	0	34	-1.0	-62.05	310.35	1.65	-60.40
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010947098	0	34	-1.0	-52.87	306.89	5.74	-47.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010947099	0	33	-1.0	-48.89	303.33	5.15	-43.74
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947100	0	37	-1.0	-53.43	348.82	5.10	-48.33
CC1=C(Br)SC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947101	0	28	-1.0	-50.97	283.94	3.25	-47.72
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947102	0	33	-1.0	-48.69	315.67	4.72	-43.97
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(F)=C1F	REAL300010947103	0	34	-1.0	-49.40	316.52	3.65	-45.75
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010947104	0	46	-1.0	-53.52	337.39	4.73	-48.79
CC1=NC2=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CC=C2C=C1	REAL300010947105	0	36	-1.0	-63.74	299.23	4.57	-59.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010947106	0	39	-1.0	-54.30	328.13	1.40	-52.90
CC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1Br	REAL300010947107	0	31	-1.0	-54.83	286.23	4.26	-50.57
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947108	0	34	-1.0	-58.70	310.11	4.04	-54.66
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010947109	0	36	-1.0	-52.63	309.03	0.62	-52.01
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010947110	0	34	-1.0	-50.44	306.43	3.65	-46.79
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947111	0	34	-1.0	-55.02	304.67	4.87	-50.15
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300010947112	0	34	-1.0	-51.83	321.96	4.04	-47.79
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947113	0	41	-1.0	-55.82	342.69	5.60	-50.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947114	0	38	-1.0	-58.96	310.48	4.36	-54.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010947115	0	33	-1.0	-66.61	299.24	3.07	-63.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010947116	0	35	-1.0	-53.40	311.54	3.99	-49.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010947117	0	42	-1.0	-60.54	369.08	4.99	-55.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010947118	0	30	-1.0	-52.96	295.32	4.04	-48.92
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947119	0	42	-1.0	-55.30	357.71	3.37	-51.93
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947120	0	44	-1.0	-52.93	366.72	5.49	-47.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010947121	0	30	-1.0	-61.35	283.97	5.10	-56.25
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1F	REAL300010947122	0	34	-1.0	-53.03	310.23	3.59	-49.44
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(Cl)C=C1Cl	REAL300010947123	0	34	-1.0	-39.04	326.26	4.36	-34.68
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947124	0	38	-1.0	-61.47	322.13	3.43	-58.04
COC(=O)C1=CSC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947125	0	31	-1.0	-54.29	298.81	2.61	-51.68
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947126	0	40	-1.0	-60.43	338.37	5.00	-55.43
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1C	REAL300010947127	0	37	-1.0	-53.05	321.73	4.09	-48.96
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947128	0	34	-1.0	-58.57	300.43	3.24	-55.33
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010947129	0	34	-1.0	-58.79	297.83	4.83	-53.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010947130	0	27	-1.0	-49.26	267.25	1.69	-47.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010947131	0	32	-1.0	-51.28	307.29	4.37	-46.91
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947132	0	42	-1.0	-54.23	371.38	1.33	-52.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010947133	0	28	-1.0	-50.36	277.91	3.57	-46.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010947134	0	35	-1.0	-66.91	315.49	0.77	-66.14
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947135	0	31	-1.0	-51.92	285.05	4.38	-47.54
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300010947136	0	32	-1.0	-50.66	300.82	2.88	-47.78
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010947137	0	39	-1.0	-53.38	328.32	4.17	-49.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010947138	0	36	-1.0	-56.09	329.86	-0.32	-56.41
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1OC	REAL300010947139	0	45	-1.0	-58.29	381.83	2.09	-56.20
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947140	0	32	-1.0	-55.60	297.65	2.99	-52.61
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947141	0	37	-1.0	-59.19	333.07	1.33	-57.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010947142	0	30	-1.0	-50.18	299.16	2.82	-47.36
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947143	0	33	-1.0	-44.44	299.43	3.71	-40.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010947144	0	29	-1.0	-50.92	293.01	3.92	-47.00
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947145	0	35	-1.0	-53.40	322.65	3.80	-49.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010947146	0	33	-1.0	-52.58	301.56	-1.62	-54.20
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010947147	0	42	-1.0	-52.73	363.89	4.85	-47.88
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947148	0	33	-1.0	-54.15	307.98	3.01	-51.14
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010947149	0	36	-1.0	-63.48	313.09	4.28	-59.20
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947150	0	44	-1.0	-62.78	387.33	1.59	-61.19
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010947151	0	38	-1.0	-56.10	331.13	3.82	-52.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010947152	0	33	-1.0	-56.54	299.18	3.09	-53.45
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1	REAL300010947153	0	38	-1.0	-53.63	318.66	4.07	-49.56
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947154	0	36	-1.0	-58.66	327.52	-0.92	-59.58
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947155	0	37	-1.0	-60.48	323.13	4.59	-55.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010947156	0	32	-1.0	-55.24	275.34	2.98	-52.26
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947157	0	40	-1.0	-51.88	349.03	5.29	-46.59
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010947158	0	46	-1.0	-58.71	388.04	2.90	-55.81
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010947159	0	34	-1.0	-54.22	312.47	2.84	-51.38
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010947160	0	34	-1.0	-58.98	311.93	4.74	-54.24
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947161	0	39	-1.0	-56.58	315.37	5.10	-51.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010947162	0	27	-1.0	-49.18	276.68	2.09	-47.09
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010947163	0	34	-1.0	-57.62	277.34	2.30	-55.32
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947164	0	31	-1.0	-54.38	287.22	4.49	-49.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010947165	0	36	-1.0	-55.27	310.70	2.09	-53.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010947166	0	44	-1.0	-58.42	366.04	3.84	-54.58
COC1=CC(Br)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010947167	0	36	-1.0	-52.99	326.84	2.91	-50.08
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OCC	REAL300010947168	0	42	-1.0	-54.15	353.36	3.97	-50.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010947169	0	34	-1.0	-56.68	298.89	1.98	-54.70
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010947170	0	33	-1.0	-57.03	305.15	-2.14	-59.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010947171	0	39	-1.0	-61.36	328.69	4.03	-57.33
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300010947172	0	42	-1.0	-60.52	343.54	4.50	-56.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300010947173	0	36	-1.0	-56.87	311.91	5.05	-51.82
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947174	0	34	-1.0	-52.54	305.67	3.57	-48.97
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300010947175	0	39	-1.0	-60.25	330.16	3.96	-56.29
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947176	0	35	-1.0	-55.86	307.34	1.19	-54.67
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2CC1C	REAL300010947177	0	42	-1.0	-59.47	346.04	4.51	-54.96
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CS1	REAL300010947178	0	31	-1.0	-59.66	290.47	3.32	-56.34
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947179	0	31	-1.0	-51.88	298.52	2.69	-49.19
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010947180	0	32	-1.0	-52.22	307.56	4.11	-48.11
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947181	0	34	-1.0	-68.45	300.23	2.16	-66.29
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010947182	0	34	-1.0	-57.62	307.46	-0.10	-57.72
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010947183	0	34	-1.0	-54.91	301.61	0.14	-54.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010947184	0	34	-1.0	-54.29	315.36	0.77	-53.52
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2N=C1	REAL300010947185	0	36	-1.0	-62.60	300.34	4.70	-57.90
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010947186	0	34	-1.0	-57.53	297.75	3.79	-53.74
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947187	0	32	-1.0	-54.33	284.21	3.30	-51.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010947188	0	32	-1.0	-56.05	282.25	3.20	-52.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010947189	0	33	-1.0	-58.45	305.09	-2.13	-60.58
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947190	0	34	-1.0	-56.79	305.70	3.56	-53.23
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010947191	0	40	-1.0	-57.80	359.92	0.76	-57.04
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010947192	0	33	-1.0	-58.44	301.42	4.41	-54.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010947193	0	34	-1.0	-59.50	306.40	-0.71	-60.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010947194	0	34	-1.0	-59.08	311.57	0.43	-58.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010947195	0	35	-1.0	-54.09	316.71	2.17	-51.92
C[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010947196	0	36	-1.0	-55.01	318.43	4.61	-50.40
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CN=C12	REAL300010947197	0	36	-1.0	-55.13	307.97	4.24	-50.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010947198	0	34	-1.0	-54.83	305.02	2.87	-51.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010947199	0	33	-1.0	-54.93	298.73	4.41	-50.52
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947200	0	36	-1.0	-59.47	307.55	5.70	-53.77
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])C1	REAL300010947201	0	42	-1.0	-55.12	344.82	3.75	-51.37
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947202	0	32	-1.0	-49.19	314.68	4.01	-45.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010947203	0	32	-1.0	-50.87	296.90	2.70	-48.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010947204	0	39	-1.0	-57.23	346.41	0.91	-56.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010947205	0	30	-1.0	-56.84	285.16	5.00	-51.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010947206	0	40	-1.0	-63.93	336.93	2.25	-61.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010947207	0	38	-1.0	-57.19	316.38	6.91	-50.28
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947208	0	37	-1.0	-56.37	327.56	4.49	-51.88
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1	REAL300010947209	0	42	-1.0	-39.49	337.57	2.60	-36.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010947210	0	28	-1.0	-50.79	272.20	3.53	-47.26
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947211	0	35	-1.0	-59.74	307.25	1.79	-57.95
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947212	0	33	-1.0	-58.13	294.00	4.48	-53.65
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947213	0	35	-1.0	-56.76	310.35	4.31	-52.45
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010947214	0	34	-1.0	-54.50	295.41	2.08	-52.42
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947215	0	43	-1.0	-55.99	342.14	6.19	-49.80
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010947216	0	28	-1.0	-50.25	282.82	3.89	-46.36
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010947217	0	28	-1.0	-38.51	275.76	3.83	-34.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010947218	0	31	-1.0	-52.17	289.63	3.90	-48.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010947219	0	31	-1.0	-56.23	275.27	4.43	-51.80
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010947220	0	31	-1.0	-50.65	302.81	4.33	-46.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010947221	0	31	-1.0	-37.66	297.67	4.31	-33.35
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=CO1	REAL300010947222	0	37	-1.0	-57.96	327.28	1.97	-55.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010947223	0	27	-1.0	-47.19	277.98	1.99	-45.20
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947224	0	32	-1.0	-42.04	288.42	2.61	-39.43
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C2S1	REAL300010947225	0	37	-1.0	-58.97	332.14	5.91	-53.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010947226	0	36	-1.0	-57.47	327.93	2.89	-54.58
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947227	0	37	-1.0	-59.73	327.84	4.36	-55.37
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N2)C=C1	REAL300010947228	0	38	-1.0	-53.15	332.95	4.67	-48.48
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C21	REAL300010947229	0	39	-1.0	-70.97	331.42	4.03	-66.94
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010947230	0	29	-1.0	-56.88	285.01	3.65	-53.23
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300010947231	0	42	-1.0	-56.27	353.60	2.37	-53.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010947232	0	36	-1.0	-51.64	324.67	4.03	-47.61
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010947233	0	33	-1.0	-49.46	297.81	4.21	-45.25
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010947234	0	42	-1.0	-48.56	365.82	5.52	-43.04
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300010947235	0	39	-1.0	-57.73	338.74	3.62	-54.11
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(F)C=C1Br	REAL300010947236	0	34	-1.0	-51.43	316.72	3.74	-47.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010947237	0	30	-1.0	-52.33	282.86	2.40	-49.93
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947238	0	38	-1.0	-58.31	329.15	3.57	-54.74
CC(=O)NC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1C	REAL300010947239	0	38	-1.0	-64.01	325.78	2.70	-61.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010947240	0	40	-1.0	-54.92	325.14	3.47	-51.45
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010947241	0	34	-1.0	-55.08	302.26	1.95	-53.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010947242	0	37	-1.0	-53.99	323.78	4.58	-49.41
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947243	0	36	-1.0	-55.73	309.87	1.52	-54.21
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947244	0	36	-1.0	-47.47	306.13	5.09	-42.38
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C)O1	REAL300010947245	0	34	-1.0	-55.26	311.52	2.50	-52.76
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947246	0	30	-1.0	-56.48	284.03	1.77	-54.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010947247	0	36	-1.0	-62.69	310.46	1.36	-61.33
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1C	REAL300010947248	0	35	-1.0	-56.82	312.15	2.97	-53.85
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947249	0	39	-1.0	-53.67	333.36	4.74	-48.93
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010947250	0	31	-1.0	-57.74	295.80	4.30	-53.44
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Br)=C1	REAL300010947251	0	37	-1.0	-51.24	344.59	5.28	-45.96
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947252	0	39	-1.0	-57.02	320.13	3.23	-53.79
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1C	REAL300010947253	0	36	-1.0	-55.73	314.86	0.52	-55.21
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1	REAL300010947254	0	38	-1.0	-51.66	307.29	3.71	-47.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010947255	0	34	-1.0	-53.96	318.81	0.93	-53.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010947256	0	36	-1.0	-57.90	324.47	2.73	-55.17
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947257	0	37	-1.0	-60.02	328.00	4.41	-55.61
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010947258	0	39	-1.0	-55.45	326.35	3.04	-52.41
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947259	0	37	-1.0	-64.02	328.03	4.39	-59.63
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])O1	REAL300010947260	0	34	-1.0	-52.76	313.27	2.70	-50.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010947261	0	39	-1.0	-54.53	335.13	7.03	-47.50
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947262	0	38	-1.0	-58.70	336.73	3.83	-54.87
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947263	0	41	-1.0	-56.02	357.69	3.98	-52.04
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947264	0	38	-1.0	-55.02	315.31	3.84	-51.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010947265	0	31	-1.0	-56.99	288.27	5.03	-51.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010947266	0	30	-1.0	-54.13	289.60	5.10	-49.03
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947267	0	33	-1.0	-60.16	283.41	5.23	-54.93
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010947268	0	30	-1.0	-48.05	296.24	4.36	-43.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300010947269	0	25	-1.0	-56.57	252.60	2.80	-53.77
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010947270	0	36	-1.0	-53.74	295.89	4.03	-49.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010947271	0	36	-1.0	-57.54	305.46	1.78	-55.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010947272	0	27	-1.0	-40.35	275.38	1.97	-38.38
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010947273	0	30	-1.0	-51.18	273.89	3.27	-47.91
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010947274	0	30	-1.0	-49.25	295.30	4.04	-45.21
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947275	0	37	-1.0	-62.86	326.08	2.20	-60.66
CCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010947276	0	33	-1.0	-56.39	301.65	3.77	-52.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010947277	0	30	-1.0	-59.07	286.13	4.35	-54.72
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010947278	0	30	-1.0	-50.07	285.52	3.65	-46.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010947279	0	35	-1.0	-54.39	321.82	3.60	-50.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010947280	0	30	-1.0	-56.67	289.73	5.12	-51.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010947281	0	42	-1.0	-54.02	362.13	6.20	-47.82
C[C@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010947282	0	43	-1.0	-65.40	326.33	5.49	-59.91
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010947283	0	36	-1.0	-60.32	322.88	-0.78	-61.10
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1	REAL300010947284	0	41	-1.0	-54.41	339.72	2.02	-52.39
COC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010947285	0	37	-1.0	-55.71	322.83	3.83	-51.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010947286	0	38	-1.0	-55.91	336.98	4.43	-51.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947287	0	50	-1.0	-39.51	380.20	5.87	-33.64
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947288	0	34	-1.0	-58.06	322.91	4.35	-53.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010947289	0	36	-1.0	-59.78	324.47	-0.38	-60.16
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010947290	0	34	-1.0	-61.56	316.00	0.46	-61.10
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947291	0	35	-1.0	-56.43	306.93	3.97	-52.46
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300010947292	0	40	-1.0	-54.40	341.56	4.44	-49.96
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2F)N=C1	REAL300010947293	0	38	-1.0	-55.57	335.51	4.94	-50.63
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947294	0	35	-1.0	-59.72	318.26	2.30	-57.42
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947295	0	35	-1.0	-61.77	313.31	-2.22	-63.99
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947296	0	33	-1.0	-37.80	303.49	4.49	-33.31
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010947297	0	34	-1.0	-53.39	301.42	4.71	-48.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010947298	0	25	-1.0	-36.58	273.28	3.07	-33.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010947299	0	40	-1.0	-56.09	346.01	4.95	-51.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010947300	0	28	-1.0	-54.12	266.98	3.22	-50.90
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010947301	0	34	-1.0	-52.01	305.35	4.44	-47.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010947302	0	34	-1.0	-55.50	313.21	4.63	-50.87
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300010947303	0	36	-1.0	-51.87	317.21	2.62	-49.25
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947304	0	35	-1.0	-58.62	318.11	3.64	-54.98
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010947305	0	31	-1.0	-56.14	299.81	4.40	-51.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010947306	0	37	-1.0	-56.03	332.42	5.75	-50.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010947307	0	30	-1.0	-54.28	296.41	4.37	-49.91
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947308	0	34	-1.0	-59.37	301.85	4.49	-54.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010947309	0	40	-1.0	-65.09	347.48	1.41	-63.68
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN=C2S1	REAL300010947310	0	42	-1.0	-50.35	375.30	4.53	-45.82
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010947311	0	35	-1.0	-56.75	319.20	3.53	-53.22
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010947312	0	28	-1.0	-38.46	280.32	3.93	-34.53
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947313	0	36	-1.0	-56.55	317.45	2.76	-53.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010947314	0	36	-1.0	-50.77	320.56	0.28	-50.49
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947315	0	37	-1.0	-57.63	344.77	5.28	-52.35
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(Br)C=C1F	REAL300010947316	0	34	-1.0	-50.32	327.25	4.39	-45.93
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1F	REAL300010947317	0	37	-1.0	-52.85	332.10	4.51	-48.34
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010947318	0	36	-1.0	-57.28	312.49	3.45	-53.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010947319	0	31	-1.0	-52.25	306.35	4.87	-47.38
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010947320	0	34	-1.0	-52.36	313.23	5.62	-46.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010947321	0	31	-1.0	-53.21	305.21	4.79	-48.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010947322	0	34	-1.0	-57.42	296.40	5.66	-51.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010947323	0	34	-1.0	-58.27	309.29	5.83	-52.44
COC1=CC(Br)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947324	0	32	-1.0	-52.04	313.50	3.55	-48.49
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C2O1	REAL300010947325	0	42	-1.0	-55.80	364.37	5.15	-50.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010947326	0	34	-1.0	-56.53	316.00	0.45	-56.08
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010947327	0	41	-1.0	-58.34	358.29	4.48	-53.86
C[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010947328	0	39	-1.0	-61.51	349.44	0.09	-61.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010947329	1	29	-1.0	-54.43	279.72	3.56	-50.87
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1N(C)C	REAL300010947330	0	39	-1.0	-53.58	325.51	3.56	-50.02
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947331	0	33	-1.0	-54.47	306.45	4.85	-49.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010947332	0	31	-1.0	-60.07	294.52	3.67	-56.40
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947333	0	34	-1.0	-56.33	312.18	4.93	-51.40
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947334	0	40	-1.0	-52.88	327.98	3.36	-49.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010947335	0	34	-1.0	-60.03	311.61	0.43	-59.60
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010947336	0	44	-1.0	-58.54	370.70	0.56	-57.98
CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1	REAL300010947337	0	42	-1.0	-57.80	344.92	3.79	-54.01
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947338	0	36	-1.0	-62.48	300.41	4.71	-57.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010947339	0	43	-1.0	-57.42	372.85	2.05	-55.37
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947340	0	38	-1.0	-59.43	327.56	2.61	-56.82
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010947341	0	31	-1.0	-57.89	295.25	4.29	-53.60
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947342	0	37	-1.0	-61.77	318.01	4.83	-56.94
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947343	0	47	-1.0	-64.93	381.68	6.29	-58.64
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010947344	0	31	-1.0	-56.74	300.25	4.64	-52.10
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947345	0	35	-1.0	-57.09	315.86	2.11	-54.98
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947346	0	32	-1.0	-39.32	304.65	3.17	-36.15
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947347	0	40	-1.0	-60.62	338.65	1.93	-58.69
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CS1	REAL300010947348	0	31	-1.0	-57.00	298.21	2.58	-54.42
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947349	0	37	-1.0	-59.15	334.49	5.43	-53.72
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010947350	0	39	-1.0	-53.36	356.32	6.27	-47.09
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300010947351	0	37	-1.0	-55.17	315.96	4.44	-50.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010947352	0	30	-1.0	-49.89	300.41	4.20	-45.69
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947353	0	32	-1.0	-49.15	307.12	3.60	-45.55
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947354	0	40	-1.0	-54.03	328.98	3.47	-50.56
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=C1	REAL300010947355	0	42	-1.0	-53.46	361.00	6.42	-47.04
C[C@H](CC(=O)[O-])NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010947356	0	42	-1.0	-60.93	373.36	1.96	-58.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010947357	0	31	-1.0	-54.05	282.63	0.41	-53.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010947358	0	36	-1.0	-54.72	313.70	3.33	-51.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010947359	0	28	-1.0	-50.54	278.69	4.01	-46.53
COC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC(=O)[O-])CC1	REAL300010947360	0	39	-1.0	-55.43	315.52	3.17	-52.26
COC1=C(C)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947361	0	38	-1.0	-52.71	324.49	3.79	-48.92
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C(=O)OC)S1	REAL300010947362	0	37	-1.0	-59.50	346.80	4.16	-55.34
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010947363	0	28	-1.0	-54.64	282.37	2.91	-51.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010947364	0	41	-1.0	-58.61	373.22	4.94	-53.67
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010947365	0	37	-1.0	-60.34	328.17	4.88	-55.46
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1NC(=O)C1=CC=CC=N1	REAL300010947366	0	45	-1.0	-66.39	387.83	2.63	-63.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010947367	0	34	-1.0	-55.20	317.34	3.57	-51.63
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010947368	0	34	-1.0	-53.39	334.06	4.09	-49.30
CC1=CC(Br)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947370	0	28	-1.0	-56.44	273.43	3.53	-52.91
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010947371	0	33	-1.0	-55.85	303.37	3.40	-52.45
CC1=C(Br)SC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=N1	REAL300010947372	1	27	-1.0	-49.67	279.05	1.11	-48.56
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947373	0	33	-1.0	-54.67	298.50	4.49	-50.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010947374	0	32	-1.0	-52.08	303.67	1.78	-50.30
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010947375	0	33	-1.0	-60.73	293.90	4.93	-55.80
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010947376	0	36	-1.0	-65.18	314.25	4.92	-60.26
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010947377	0	36	-1.0	-58.64	322.92	5.19	-53.45
CC1=NN2C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=NC2=C1Cl	REAL300010947378	0	33	-1.0	-49.84	307.47	2.54	-47.30
CCCCCCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(=O)NC1=O	REAL300010947379	0	46	-1.0	-60.41	378.30	3.34	-57.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010947381	0	39	-1.0	-55.54	337.45	4.85	-50.69
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010947382	0	32	-1.0	-59.94	299.35	4.17	-55.77
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010947383	0	33	-1.0	-52.25	303.94	4.22	-48.03
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947384	0	34	-1.0	-56.17	301.85	4.49	-51.68
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300010947385	0	46	-1.0	-62.07	387.63	1.09	-60.98
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300010947386	0	43	-1.0	-62.27	366.13	0.29	-61.98
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947387	1	43	-1.0	-58.69	364.26	0.01	-58.68
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947388	0	42	-1.0	-54.83	372.82	1.36	-53.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010947389	0	42	-1.0	-55.33	356.79	4.11	-51.22
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010947390	0	31	-1.0	-70.56	289.57	2.82	-67.74
CC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947391	0	31	-1.0	-54.52	289.58	4.35	-50.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947392	0	39	-1.0	-54.98	351.32	0.58	-54.40
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010947393	0	27	-1.0	-53.56	266.32	2.18	-51.38
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CC=C12	REAL300010947394	0	39	-1.0	-53.12	338.05	4.07	-49.05
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300010947395	0	38	-1.0	-53.76	346.35	6.95	-46.81
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010947396	0	31	-1.0	-54.54	306.65	4.81	-49.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010947397	0	36	-1.0	-73.34	319.13	1.01	-72.33
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010947398	0	28	-1.0	-49.02	280.11	4.29	-44.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010947399	0	27	-1.0	-48.47	277.32	2.12	-46.35
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300010947400	0	33	-1.0	-51.28	301.61	1.69	-49.59
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010947401	0	31	-1.0	-47.40	314.45	-0.07	-47.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010947402	0	47	-1.0	-62.14	405.62	3.91	-58.23
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947403	0	38	-1.0	-52.98	320.17	3.76	-49.22
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947404	0	42	-1.0	-61.06	386.09	0.56	-60.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010947405	0	37	-1.0	-62.95	340.45	2.84	-60.11
CC(=O)NC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947406	0	38	-1.0	-56.41	341.63	3.41	-53.00
CC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300010947407	0	33	-1.0	-50.37	308.43	3.95	-46.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010947408	0	39	-1.0	-54.90	355.67	1.82	-53.08
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)CC1	REAL300010947409	0	41	-1.0	-55.89	349.24	5.54	-50.35
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010947410	0	32	-1.0	-57.66	308.23	4.49	-53.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010947411	0	37	-1.0	-65.54	318.34	6.76	-58.78
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010947412	0	36	-1.0	-63.89	303.70	4.68	-59.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010947413	0	34	-1.0	-61.00	300.72	4.40	-56.60
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947414	0	41	-1.0	-64.26	345.07	4.30	-59.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010947415	0	34	-1.0	-50.66	319.49	0.95	-49.71
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947416	0	37	-1.0	-53.47	333.94	4.56	-48.91
CCC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300010947417	0	37	-1.0	-54.73	331.46	3.30	-51.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010947418	0	45	-1.0	-60.04	363.20	4.79	-55.25
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947419	0	41	-1.0	-53.39	362.37	4.57	-48.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010947420	0	29	-1.0	-39.39	279.79	3.71	-35.68
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947421	0	32	-1.0	-52.58	294.59	3.44	-49.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010947422	0	48	-1.0	-55.85	369.97	4.68	-51.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010947423	0	45	-1.0	-53.45	370.03	5.55	-47.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010947424	0	42	-1.0	-57.70	340.73	3.35	-54.35
C[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010947425	0	39	-1.0	-60.96	347.56	3.85	-57.11
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010947426	0	30	-1.0	-50.02	285.60	2.11	-47.91
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])SC=N1	REAL300010947427	1	30	-1.0	-57.28	286.92	1.32	-55.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947428	0	34	-1.0	-53.89	312.08	3.63	-50.26
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300010952001	0	42	-1.0	-55.34	335.37	7.08	-48.26
CC1(C)CCN(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300010952002	0	46	-1.0	-47.53	341.36	4.81	-42.72
O=C([O-])C1CCCC(NS(=O)(=O)N2CCC(CO)CC2)C1	REAL300010952003	0	44	-1.0	-49.69	340.76	1.27	-48.42
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952004	0	49	-1.0	-60.48	399.92	5.27	-55.21
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010952005	0	50	-1.0	-52.41	390.99	5.12	-47.29
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952006	0	38	-1.0	-50.39	337.32	2.22	-48.17
COC1=NC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=C1C	REAL300010952007	0	41	-1.0	-50.85	336.41	2.16	-48.69
CC(C)CN1C=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=N1	REAL300010952008	0	44	-1.0	-52.85	352.16	4.85	-48.00
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952009	0	44	-1.0	-51.64	357.75	4.51	-47.13
O=C([O-])C1CCCC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010952010	0	34	-1.0	-53.03	318.21	2.80	-50.23
O=C([O-])C1CCCC(NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010952011	0	45	-1.0	-49.02	354.42	2.61	-46.41
COCC1=CC(CS(=O)(=O)NC2CCCC(C(=O)[O-])C2)=NO1	REAL300010952012	0	41	-1.0	-53.24	349.25	2.47	-50.77
N#CC1=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)SC=C1	REAL300010952013	0	33	-1.0	-50.34	300.61	4.05	-46.29
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010952014	1	33	-1.0	-49.22	301.47	2.88	-46.34
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300010952015	0	39	-1.0	-54.86	339.42	2.88	-51.98
CC1=C(C)C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300010952016	0	41	-1.0	-49.44	331.15	6.11	-43.33
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010952017	0	34	-1.0	-51.33	299.41	3.62	-47.71
COC1=CC=C(Br)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952018	0	39	-1.0	-48.97	341.45	5.25	-43.72
COC1=CC=NC=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952019	0	38	-1.0	-54.02	301.28	2.74	-51.28
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010952020	0	37	-1.0	-49.83	326.62	3.96	-45.87
COC1=NC=CC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1Cl	REAL300010952021	0	38	-1.0	-51.00	334.77	1.85	-49.15
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300010952022	0	44	-1.0	-56.81	372.36	3.92	-52.89
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952023	0	42	-1.0	-58.17	353.69	2.64	-55.53
O=C([O-])C1CCCC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010952024	0	39	-1.0	-48.72	354.66	6.98	-41.74
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010952025	0	40	-1.0	-49.36	344.20	7.06	-42.30
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010952026	1	34	-1.0	-53.82	310.78	3.68	-50.14
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)N=C1	REAL300010952027	0	46	-1.0	-51.80	365.73	5.16	-46.64
CC(C)N1N=CC=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952028	0	41	-1.0	-49.02	324.63	3.87	-45.15
CC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010952029	0	43	-1.0	-52.50	345.99	6.06	-46.44
COC(=O)C1=NC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=C1C	REAL300010952030	0	43	-1.0	-50.99	362.76	3.98	-47.01
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952031	0	38	-1.0	-55.95	330.20	6.71	-49.24
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300010952032	0	42	-1.0	-48.65	341.05	5.01	-43.64
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010952033	0	42	-1.0	-52.27	340.22	5.98	-46.29
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010952034	0	37	-1.0	-50.85	319.93	3.78	-47.07
O=C([O-])C1CCCC(NS(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300010952035	0	40	-1.0	-57.75	323.64	5.22	-52.53
CC1=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=NN1C(C)C	REAL300010952036	0	44	-1.0	-49.06	355.17	4.63	-44.43
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010952037	0	42	-1.0	-52.09	350.41	7.01	-45.08
O=C([O-])C1CCCC(NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010952038	0	37	-1.0	-53.97	318.33	3.83	-50.14
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010952039	0	35	-1.0	-50.17	305.84	5.26	-44.91
CC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C2=C1NCCC2	REAL300010952040	0	47	-1.0	-51.55	356.45	5.54	-46.01
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300010952041	0	49	-1.0	-49.41	404.96	8.14	-41.27
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010952042	0	42	-1.0	-49.49	356.84	6.82	-42.67
O=C([O-])C1CCCC(NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010952043	0	32	-1.0	-49.86	301.71	4.42	-45.44
O=C([O-])C1CCCC(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010952044	0	39	-1.0	-53.31	342.35	5.30	-48.01
CC1=CC(Br)=NC=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952045	0	37	-1.0	-46.47	323.54	4.43	-42.04
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010952046	0	40	-1.0	-53.90	325.57	5.56	-48.34
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952047	0	44	-1.0	-56.80	355.13	6.53	-50.27
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010952048	0	46	-1.0	-50.84	379.59	8.69	-42.15
CC1=CN=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300010952049	0	40	-1.0	-59.11	323.06	4.59	-54.52
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010952050	0	38	-1.0	-51.21	329.56	5.78	-45.43
O=C([O-])C1CCCC(NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010952051	0	34	-1.0	-47.94	312.30	3.39	-44.55
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010952052	0	37	-1.0	-53.05	314.49	4.37	-48.68
O=C([O-])C1CCCC(NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010952053	0	38	-1.0	-48.26	319.01	4.39	-43.87
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952054	0	43	-1.0	-61.82	346.40	0.67	-61.15
O=C([O-])C1CCCC(NS(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300010952055	0	42	-1.0	-51.47	319.45	2.99	-48.48
N#CC1CCN(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300010952056	0	41	-1.0	-54.83	329.43	4.26	-50.57
CC1=NC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300010952057	0	37	-1.0	-48.88	324.56	4.31	-44.57
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010952058	1	34	-1.0	-53.49	318.93	4.38	-49.11
O=C([O-])C1CCCC(NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010952059	0	39	-1.0	-61.99	339.27	4.14	-57.85
O=C([O-])C1CCCC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010952060	0	39	-1.0	-49.10	330.07	6.11	-42.99
O=C([O-])C1CCCC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010952061	0	39	-1.0	-48.81	340.39	6.56	-42.25
CP(C)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952062	0	44	-1.0	-59.66	369.20	4.32	-55.34
COC1=CC=NC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952063	0	38	-1.0	-52.80	316.07	2.23	-50.57
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010952064	0	42	-1.0	-50.83	347.38	7.23	-43.60
C=CCN(CC=C)S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952065	0	41	-1.0	-47.12	336.57	4.52	-42.60
CC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010952066	0	38	-1.0	-51.51	338.89	6.47	-45.04
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010952067	0	39	-1.0	-48.61	343.37	4.69	-43.92
COC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C(C(F)F)=C1	REAL300010952068	0	42	-1.0	-52.73	340.86	5.58	-47.15
CCOC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010952069	0	48	-1.0	-54.59	394.52	6.43	-48.16
COC(=O)C1CC2=CC=C(S(=O)(=O)NC3CCCC(C(=O)[O-])C3)C=C2C1	REAL300010952070	0	48	-1.0	-51.20	394.65	7.10	-44.10
COC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)N=C1	REAL300010952071	0	38	-1.0	-50.27	317.16	2.23	-48.04
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952072	0	41	-1.0	-48.18	361.92	2.75	-45.43
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952073	0	41	-1.0	-49.03	358.31	6.92	-42.11
COC(=O)C1=CC=NC=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952074	0	40	-1.0	-55.98	326.73	4.36	-51.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952075	0	41	-1.0	-60.42	337.21	6.37	-54.05
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010952076	0	40	-1.0	-51.90	326.49	5.21	-46.69
CCOC1=CC=CN=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952077	0	41	-1.0	-53.96	336.60	4.17	-49.79
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300010952078	0	46	-1.0	-53.14	392.51	5.60	-47.54
O=C([O-])C1CCCC(NC(=O)N2CCC3=CC=CC=C3C2)C1	REAL300010952079	0	43	-1.0	-46.98	328.92	9.21	-37.77
CC1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010952080	0	43	-1.0	-57.38	347.60	5.95	-51.43
O=C([O-])C1CCCC(NS(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010952081	1	31	-1.0	-45.94	295.50	3.27	-42.67
CC1=CC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=CC(C)=N1	REAL300010952082	0	40	-1.0	-50.62	327.52	4.20	-46.42
O=C([O-])C1CCCC(NS(=O)(=O)N2CCC(F)(F)C2)C1	REAL300010952083	0	37	-1.0	-47.29	305.98	3.24	-44.05
NC1=CC(Br)=CC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952084	0	37	-1.0	-51.02	329.79	3.00	-48.02
CN(CCC1=CC=CC=C1)C(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952085	0	45	-1.0	-49.83	356.81	9.40	-40.43
O=C([O-])C1CCCC(NC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010952086	0	42	-1.0	-48.64	332.62	7.58	-41.06
O=C([O-])C1CCCC(NC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1	REAL300010952087	0	49	-1.0	-45.07	334.63	9.07	-36.00
CC1=CC(Cl)=CN=C1S(=O)(=O)NC1CCCC(C(=O)[O-])C1	REAL300010952088	0	37	-1.0	-55.83	318.36	4.46	-51.37
O=C([O-])C1CCCC(NS(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010952089	0	37	-1.0	-50.74	314.46	4.05	-46.69
CC1=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C=C(Cl)S1	REAL300010952090	0	35	-1.0	-49.77	314.04	5.17	-44.60
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010952091	0	37	-1.0	-55.23	320.72	3.85	-51.38
O=C([O-])C1CCCC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C1	REAL300010952092	0	42	-1.0	-53.84	364.63	5.78	-48.06
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NC1CCCC(C(=O)[O-])C1)C2	REAL300010952093	0	52	-1.0	-46.75	360.49	9.72	-37.03
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952094	0	48	-1.0	-51.30	381.61	6.89	-44.41
O=C([O-])C1CCCC(NC(=O)N2CCCC3=CC=CC=C32)C1	REAL300010952095	0	43	-1.0	-47.57	324.05	9.50	-38.07
CC1=CC=C(O)C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952096	0	39	-1.0	-50.79	322.78	3.25	-47.54
O=C([O-])C1CCCC(NS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010952097	1	40	-1.0	-55.84	338.25	3.88	-51.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010952098	0	38	-1.0	-60.57	321.20	8.02	-52.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010952099	0	31	-1.0	-56.83	271.54	3.93	-52.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010952100	0	32	-1.0	-58.06	291.45	6.05	-52.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010952101	0	32	-1.0	-59.91	278.49	5.88	-54.03
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952102	0	44	-1.0	-59.25	323.12	7.80	-51.45
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952103	0	38	-1.0	-57.96	310.05	6.37	-51.59
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952104	0	41	-1.0	-58.17	346.71	7.01	-51.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010952105	0	32	-1.0	-56.57	291.76	6.25	-50.32
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952106	0	38	-1.0	-66.05	326.00	6.19	-59.86
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952107	0	44	-1.0	-60.54	346.85	7.77	-52.77
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952108	0	41	-1.0	-60.72	330.88	7.38	-53.34
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952109	0	44	-1.0	-60.50	348.80	8.02	-52.48
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952110	0	43	-1.0	-61.66	366.25	3.45	-58.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010952111	0	36	-1.0	-61.34	303.22	2.19	-59.15
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952112	0	42	-1.0	-63.81	352.33	4.45	-59.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010952113	0	34	-1.0	-51.59	304.66	6.45	-45.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010952114	0	32	-1.0	-61.71	285.12	6.37	-55.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010952115	0	29	-1.0	-54.98	277.71	5.05	-49.93
CCCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952116	0	41	-1.0	-60.91	334.51	7.65	-53.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010952117	0	32	-1.0	-54.59	297.78	6.39	-48.20
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Br	REAL300010952118	0	36	-1.0	-58.13	320.39	5.41	-52.72
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952119	0	43	-1.0	-80.95	352.08	4.25	-76.70
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010952120	0	32	-1.0	-54.06	286.35	5.58	-48.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010952121	0	32	-1.0	-54.66	300.97	6.39	-48.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010952122	0	32	-1.0	-60.20	276.45	5.77	-54.43
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010952123	0	44	-1.0	-62.72	376.99	6.67	-56.05
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952124	0	44	-1.0	-59.98	364.71	7.02	-52.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010952125	0	32	-1.0	-66.91	276.62	5.63	-61.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010952126	0	31	-1.0	-54.62	282.37	4.08	-50.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010952127	0	32	-1.0	-56.56	290.50	5.98	-50.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010952128	0	35	-1.0	-52.46	298.86	7.08	-45.38
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300010952129	0	35	-1.0	-57.54	309.63	6.61	-50.93
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1NC(C)=O	REAL300010952130	0	43	-1.0	-69.59	354.64	3.77	-65.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010952131	0	36	-1.0	-56.37	316.62	5.24	-51.13
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1C	REAL300010952132	0	47	-1.0	-60.17	335.65	8.22	-51.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010952133	0	41	-1.0	-61.66	333.31	5.38	-56.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952134	0	37	-1.0	-65.20	314.85	6.64	-58.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010952135	0	29	-1.0	-54.94	282.34	5.16	-49.78
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010952136	0	38	-1.0	-45.10	317.64	6.96	-38.14
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952137	0	36	-1.0	-64.57	317.59	6.04	-58.53
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952138	0	50	-1.0	-57.88	364.81	9.02	-48.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010952139	0	48	-1.0	-60.24	372.51	9.26	-50.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010952140	0	35	-1.0	-56.78	309.38	6.45	-50.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010952141	0	42	-1.0	-62.13	333.10	7.92	-54.21
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952142	0	40	-1.0	-68.26	325.29	4.67	-63.59
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300010952143	0	40	-1.0	-61.58	328.85	4.64	-56.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010952144	0	42	-1.0	-62.34	367.32	5.01	-57.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010952145	0	39	-1.0	-60.58	313.03	7.28	-53.30
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952146	0	39	-1.0	-61.10	343.31	3.59	-57.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010952147	0	40	-1.0	-60.68	317.82	7.63	-53.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010952148	0	32	-1.0	-60.70	280.16	5.53	-55.17
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952149	0	42	-1.0	-78.51	333.95	4.84	-73.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010952150	0	29	-1.0	-55.02	288.40	5.43	-49.59
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952151	0	47	-1.0	-60.97	373.58	8.94	-52.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010952152	0	38	-1.0	-63.77	304.92	7.54	-56.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010952153	0	42	-1.0	-61.40	344.25	8.84	-52.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010952154	0	35	-1.0	-53.70	315.18	6.77	-46.93
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952155	0	35	-1.0	-62.93	284.33	6.03	-56.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010952156	0	32	-1.0	-55.19	301.90	6.88	-48.31
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952157	0	47	-1.0	-60.40	360.55	8.22	-52.18
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952158	0	35	-1.0	-60.89	305.96	6.56	-54.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010952159	0	32	-1.0	-51.67	286.39	5.55	-46.12
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952160	0	35	-1.0	-61.57	295.18	6.14	-55.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010952161	0	32	-1.0	-54.79	300.61	6.14	-48.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010952162	0	35	-1.0	-60.51	312.48	6.46	-54.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010952163	0	32	-1.0	-54.80	300.63	6.12	-48.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010952164	0	32	-1.0	-55.04	286.33	5.57	-49.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010952165	0	33	-1.0	-60.52	285.62	4.37	-56.15
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300010952166	0	35	-1.0	-57.37	296.85	6.13	-51.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010952167	0	35	-1.0	-57.92	314.83	6.50	-51.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010952168	0	37	-1.0	-69.74	307.95	6.56	-63.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010952169	0	35	-1.0	-52.24	288.54	6.62	-45.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010952170	0	43	-1.0	-60.77	375.48	8.84	-51.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010952171	0	32	-1.0	-58.99	289.72	5.97	-53.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010952172	0	32	-1.0	-54.22	284.92	5.95	-48.27
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952173	0	38	-1.0	-57.15	324.18	6.05	-51.10
CC1=CC=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952174	0	35	-1.0	-62.31	295.17	6.13	-56.18
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952175	0	36	-1.0	-58.10	306.20	4.82	-53.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952176	0	35	-1.0	-61.49	297.22	6.15	-55.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010952177	0	32	-1.0	-59.47	283.12	5.69	-53.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010952178	0	32	-1.0	-54.33	297.50	6.11	-48.22
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)C=C1	REAL300010952179	0	47	-1.0	-61.01	388.99	7.60	-53.41
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952180	0	39	-1.0	-62.45	338.01	4.90	-57.55
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010952181	0	48	-1.0	-62.14	372.97	8.45	-53.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010952182	0	36	-1.0	-68.31	316.81	6.67	-61.64
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010952183	0	35	-1.0	-61.96	303.78	6.95	-55.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010952184	0	35	-1.0	-62.60	328.24	7.29	-55.31
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010952185	0	42	-1.0	-62.49	333.06	6.87	-55.62
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010952186	0	39	-1.0	-58.84	320.60	2.90	-55.94
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010952187	0	40	-1.0	-61.91	332.28	2.82	-59.09
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952188	0	37	-1.0	-55.84	306.18	6.62	-49.22
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952189	0	39	-1.0	-67.32	329.90	4.36	-62.96
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952190	0	37	-1.0	-55.51	301.12	6.50	-49.01
CN1C=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010952191	0	32	-1.0	-54.84	282.24	4.96	-49.88
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952192	0	35	-1.0	-60.57	298.32	6.18	-54.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952193	0	38	-1.0	-60.72	338.99	6.54	-54.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010952194	0	41	-1.0	-74.61	355.68	3.64	-70.97
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300010952195	0	39	-1.0	-65.59	332.05	4.46	-61.13
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010952196	0	46	-1.0	-78.36	363.24	7.11	-71.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300010952197	0	37	-1.0	-79.23	321.16	1.60	-77.63
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1C	REAL300010952198	0	42	-1.0	-61.26	323.79	5.91	-55.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010952199	0	32	-1.0	-58.52	284.88	5.94	-52.58
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010952200	0	43	-1.0	-59.81	353.73	4.95	-54.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010952201	0	35	-1.0	-62.11	315.23	6.88	-55.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010952202	0	32	-1.0	-54.61	306.62	6.52	-48.09
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952203	0	45	-1.0	-70.24	374.33	5.24	-65.00
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952204	0	46	-1.0	-70.48	378.06	4.39	-66.09
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952205	0	40	-1.0	-54.81	321.16	6.79	-48.02
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952206	0	44	-1.0	-61.08	351.28	8.11	-52.97
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952207	0	42	-1.0	-60.99	347.22	5.96	-55.03
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952208	0	35	-1.0	-61.90	294.68	6.48	-55.42
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952209	0	48	-1.0	-59.79	382.55	7.78	-52.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010952210	0	46	-1.0	-59.46	365.07	7.63	-51.83
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952211	0	45	-1.0	-60.11	363.05	7.15	-52.96
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952212	0	42	-1.0	-60.05	343.48	6.47	-53.58
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952213	0	36	-1.0	-58.09	316.00	5.30	-52.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010952214	0	36	-1.0	-58.72	325.76	5.57	-53.15
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952215	0	39	-1.0	-61.13	320.07	5.49	-55.64
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010952216	0	45	-1.0	-60.61	359.81	7.04	-53.57
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300010952217	0	39	-1.0	-59.75	306.66	5.24	-54.51
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952218	0	43	-1.0	-62.93	355.61	4.94	-57.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010952219	0	35	-1.0	-67.31	299.25	6.29	-61.02
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952220	0	43	-1.0	-66.27	360.88	5.09	-61.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010952221	0	47	-1.0	-62.60	375.09	4.93	-57.67
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300010952222	0	35	-1.0	-59.30	299.90	6.54	-52.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010952223	0	38	-1.0	-67.70	337.17	3.30	-64.40
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952224	0	38	-1.0	-54.51	326.76	6.87	-47.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010952225	0	37	-1.0	-62.85	311.44	5.83	-57.02
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952226	0	36	-1.0	-60.40	305.60	5.82	-54.58
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952227	0	36	-1.0	-58.73	298.59	6.34	-52.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010952228	0	33	-1.0	-57.57	294.50	5.85	-51.72
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010952229	0	36	-1.0	-55.31	319.61	6.58	-48.73
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OC	REAL300010952230	0	42	-1.0	-60.43	352.55	6.14	-54.29
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952231	0	41	-1.0	-59.42	341.13	6.63	-52.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010952232	0	41	-1.0	-71.39	338.78	5.50	-65.89
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010952233	0	41	-1.0	-62.69	339.06	6.48	-56.21
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952234	0	41	-1.0	-61.80	323.01	5.13	-56.67
CC(C)N1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952235	0	38	-1.0	-51.04	307.70	3.69	-47.35
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952236	0	41	-1.0	-56.80	329.31	6.65	-50.15
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952237	0	38	-1.0	-57.29	310.21	5.78	-51.51
CC(C)C1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1	REAL300010952238	0	38	-1.0	-62.24	316.96	3.98	-58.26
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952239	0	44	-1.0	-49.57	318.71	7.48	-42.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010952240	0	45	-1.0	-64.72	368.04	8.11	-56.61
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952241	0	40	-1.0	-74.64	336.61	4.84	-69.80
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1Cl	REAL300010952242	0	39	-1.0	-64.86	345.62	5.16	-59.70
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010952243	0	39	-1.0	-53.43	326.99	5.72	-47.71
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300010952244	0	38	-1.0	-56.47	336.01	6.18	-50.29
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010952245	0	36	-1.0	-55.93	320.36	5.58	-50.35
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010952246	0	42	-1.0	-61.03	360.61	7.47	-53.56
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(Br)O1	REAL300010952247	0	35	-1.0	-55.31	325.62	4.74	-50.57
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(Br)S1	REAL300010952248	0	32	-1.0	-59.71	295.13	5.82	-53.89
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1	REAL300010952249	0	36	-1.0	-56.03	306.31	3.08	-52.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010952250	0	33	-1.0	-55.29	306.68	6.25	-49.04
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952251	0	40	-1.0	-71.91	312.20	7.67	-64.24
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952252	0	38	-1.0	-65.52	331.10	6.44	-59.08
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952253	0	41	-1.0	-71.31	338.49	3.47	-67.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010952254	0	36	-1.0	-52.78	303.82	6.94	-45.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010952255	0	33	-1.0	-59.24	306.71	6.25	-52.99
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952256	0	48	-1.0	-62.13	383.16	7.20	-54.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010952257	0	43	-1.0	-73.94	358.19	5.40	-68.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010952258	0	44	-1.0	-61.95	379.10	3.28	-58.67
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952259	0	40	-1.0	-62.44	347.26	1.62	-60.82
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952260	0	42	-1.0	-68.16	364.91	4.35	-63.81
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])O1	REAL300010952261	0	35	-1.0	-50.82	304.43	4.40	-46.42
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952262	0	38	-1.0	-48.78	324.36	5.06	-43.72
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952263	0	34	-1.0	-44.11	287.59	3.35	-40.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010952264	0	34	-1.0	-81.50	285.10	6.96	-74.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010952265	0	35	-1.0	-62.79	329.76	7.32	-55.47
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)N1	REAL300010952266	0	45	-1.0	-55.24	356.29	5.18	-50.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010952267	0	32	-1.0	-64.79	283.32	6.14	-58.65
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)=CS1	REAL300010952268	0	38	-1.0	-46.70	341.64	5.31	-41.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010952269	0	52	-1.0	-59.89	404.69	9.05	-50.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010952270	0	42	-1.0	-64.46	367.39	5.00	-59.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010952271	0	32	-1.0	-57.92	297.94	6.53	-51.39
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952272	0	41	-1.0	-70.25	332.59	6.61	-63.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010952273	0	34	-1.0	-50.31	300.14	6.90	-43.41
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300010952274	0	40	-1.0	-60.01	332.45	4.67	-55.34
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300010952275	0	43	-1.0	-63.25	336.40	5.14	-58.11
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010952276	0	34	-1.0	-65.50	297.25	7.30	-58.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010952277	0	35	-1.0	-56.35	298.41	5.41	-50.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010952278	0	33	-1.0	-56.36	287.15	5.64	-50.72
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010952279	0	33	-1.0	-56.32	297.50	6.09	-50.23
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Br	REAL300010952280	0	35	-1.0	-60.86	310.00	6.64	-54.22
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952281	0	35	-1.0	-57.40	283.03	5.98	-51.42
COC(=O)CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952282	0	38	-1.0	-57.65	322.27	3.37	-54.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010952283	0	38	-1.0	-59.06	319.22	7.93	-51.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010952284	0	37	-1.0	-49.11	311.66	7.21	-41.90
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952285	0	32	-1.0	-42.41	295.40	5.09	-37.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010952286	0	36	-1.0	-69.05	312.38	6.60	-62.45
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(F)=C1F	REAL300010952287	0	38	-1.0	-54.63	336.11	6.19	-48.44
CC1=NC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C2C=C1	REAL300010952288	0	40	-1.0	-57.57	325.63	6.35	-51.22
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010952289	0	43	-1.0	-50.07	340.11	3.13	-46.94
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Br	REAL300010952290	0	35	-1.0	-59.84	296.77	6.46	-53.38
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952291	0	38	-1.0	-57.60	316.20	6.35	-51.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010952292	0	40	-1.0	-46.49	321.00	2.35	-44.14
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010952293	0	38	-1.0	-56.06	326.01	6.19	-49.87
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952294	0	38	-1.0	-63.06	316.32	6.94	-56.12
COCCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952295	0	39	-1.0	-49.57	322.66	2.21	-47.36
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010952296	0	45	-1.0	-62.25	355.01	7.78	-54.47
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952297	0	42	-1.0	-52.92	335.00	6.26	-46.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010952298	0	37	-1.0	-68.51	318.42	5.60	-62.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010952299	0	39	-1.0	-52.39	323.45	5.71	-46.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010952300	0	34	-1.0	-60.67	314.89	6.57	-54.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010952301	0	33	-1.0	-59.82	287.02	5.62	-54.20
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952302	0	46	-1.0	-62.92	377.46	5.91	-57.01
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952303	0	48	-1.0	-59.85	386.48	8.03	-51.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010952304	0	34	-1.0	-74.82	280.73	6.79	-68.03
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300010952305	0	38	-1.0	-57.02	329.80	6.12	-50.90
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010952306	0	38	-1.0	-54.74	343.59	6.81	-47.93
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952307	0	42	-1.0	-72.15	350.47	6.05	-66.10
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952308	0	35	-1.0	-63.86	319.79	5.16	-58.70
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952309	0	44	-1.0	-58.76	346.33	6.49	-52.27
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300010952310	0	41	-1.0	-61.31	340.82	6.62	-54.69
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952311	0	38	-1.0	-66.89	328.49	6.10	-60.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010952312	0	42	-1.0	-50.87	314.61	7.08	-43.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010952313	0	38	-1.0	-65.26	316.65	7.21	-58.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010952314	0	31	-1.0	-55.44	286.94	4.26	-51.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010952315	0	36	-1.0	-56.47	327.01	6.91	-49.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010952316	0	32	-1.0	-54.52	297.49	6.11	-48.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010952317	0	39	-1.0	-56.11	327.10	2.59	-53.52
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952318	0	35	-1.0	-57.60	295.85	6.47	-51.13
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300010952319	0	36	-1.0	-57.20	320.41	5.42	-51.78
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300010952320	0	43	-1.0	-59.13	344.98	6.59	-52.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010952321	0	40	-1.0	-61.39	349.46	2.22	-59.17
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OC	REAL300010952322	0	49	-1.0	-66.57	401.50	4.60	-61.97
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952323	0	36	-1.0	-61.90	307.97	5.18	-56.72
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952324	0	41	-1.0	-64.12	352.30	3.85	-60.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010952325	0	34	-1.0	-56.32	318.77	5.35	-50.97
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952326	0	37	-1.0	-71.59	319.07	6.26	-65.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010952327	0	33	-1.0	-56.41	309.60	6.37	-50.04
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Br	REAL300010952328	0	39	-1.0	-57.68	342.25	6.34	-51.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010952329	0	37	-1.0	-41.00	313.14	0.04	-40.96
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2S1	REAL300010952330	0	46	-1.0	-58.99	383.50	7.39	-51.60
COC(=O)CC1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300010952331	0	41	-1.0	-53.82	332.19	5.44	-48.38
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952332	0	37	-1.0	-51.22	322.84	4.95	-46.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010952333	0	37	-1.0	-61.15	306.11	4.73	-56.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010952334	0	40	-1.0	-69.34	333.83	6.79	-62.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010952335	0	38	-1.0	-70.22	310.59	1.83	-68.39
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952336	0	42	-1.0	-49.03	342.68	5.64	-43.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010952337	0	37	-1.0	-65.56	318.38	5.61	-59.95
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300010952338	0	42	-1.0	-49.70	325.04	5.48	-44.22
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952339	0	40	-1.0	-62.21	346.75	1.60	-60.61
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952340	0	41	-1.0	-61.11	329.66	6.92	-54.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010952341	0	36	-1.0	-62.78	305.58	5.64	-57.14
CSC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952342	0	36	-1.0	-60.34	310.83	6.47	-53.87
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952343	0	44	-1.0	-59.15	368.21	7.81	-51.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010952344	0	38	-1.0	-66.45	335.01	7.31	-59.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010952345	0	31	-1.0	-51.77	288.59	4.36	-47.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010952346	0	38	-1.0	-52.25	306.97	4.49	-47.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010952347	0	37	-1.0	-60.79	299.94	5.62	-55.17
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952348	0	35	-1.0	-61.79	299.23	6.59	-55.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010952349	0	40	-1.0	-62.75	329.95	4.61	-58.14
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952350	0	48	-1.0	-62.97	385.51	6.34	-56.63
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OCC	REAL300010952351	0	46	-1.0	-61.39	372.93	6.50	-54.89
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010952352	0	38	-1.0	-59.67	316.94	4.43	-55.24
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952353	0	38	-1.0	-59.11	300.81	4.23	-54.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010952354	0	37	-1.0	-63.16	324.83	0.41	-62.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010952355	0	43	-1.0	-69.63	347.88	6.54	-63.09
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952356	0	46	-1.0	-67.82	363.47	7.07	-60.75
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952357	0	40	-1.0	-66.57	322.96	7.16	-59.41
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952358	0	38	-1.0	-59.92	324.85	6.09	-53.83
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952359	0	43	-1.0	-70.27	349.07	6.46	-63.81
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952360	0	39	-1.0	-61.37	326.51	3.70	-57.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010952361	0	36	-1.0	-64.90	304.59	2.21	-62.69
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2CC1C	REAL300010952362	0	46	-1.0	-65.74	365.62	7.03	-58.71
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=CS1	REAL300010952363	0	35	-1.0	-63.10	300.75	5.43	-57.67
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952364	0	35	-1.0	-56.76	316.42	5.18	-51.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010952365	0	36	-1.0	-59.20	327.13	6.62	-52.58
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952366	0	38	-1.0	-55.58	317.71	3.70	-51.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010952367	0	38	-1.0	-64.41	326.93	2.42	-61.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010952368	0	38	-1.0	-59.93	321.22	2.68	-57.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010952369	0	38	-1.0	-59.32	327.04	3.02	-56.30
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2N=C1	REAL300010952370	0	40	-1.0	-68.98	329.36	7.20	-61.78
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010952371	0	38	-1.0	-54.05	312.87	5.68	-48.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952372	0	36	-1.0	-60.21	312.70	5.90	-54.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010952373	0	36	-1.0	-59.86	312.39	5.87	-53.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010952374	0	37	-1.0	-67.91	324.69	0.40	-67.51
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952375	0	38	-1.0	-62.06	324.91	6.08	-55.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010952376	0	44	-1.0	-67.82	379.52	3.29	-64.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010952377	0	37	-1.0	-63.31	322.15	6.93	-56.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010952378	0	35	-1.0	-62.53	300.34	6.33	-56.20
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Cl)=C1	REAL300010952379	0	35	-1.0	-59.64	297.84	6.44	-53.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010952380	0	38	-1.0	-61.35	325.55	1.82	-59.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010952381	0	38	-1.0	-65.48	330.80	2.95	-62.53
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C1=O	REAL300010952382	0	39	-1.0	-60.62	333.06	4.64	-55.98
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952383	0	35	-1.0	-57.01	283.59	6.03	-50.98
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CN=C12	REAL300010952384	0	40	-1.0	-61.43	320.05	6.44	-54.99
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952385	0	38	-1.0	-64.71	324.15	5.39	-59.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010952386	0	37	-1.0	-59.18	318.20	6.94	-52.24
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952387	0	40	-1.0	-57.50	321.91	7.56	-49.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010952388	0	36	-1.0	-59.54	316.14	5.22	-54.32
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952389	0	43	-1.0	-66.95	365.72	3.43	-63.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010952390	0	32	-1.0	-54.48	282.88	5.84	-48.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010952391	0	34	-1.0	-52.68	300.16	6.90	-45.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010952392	0	44	-1.0	-64.13	348.82	4.07	-60.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010952393	0	42	-1.0	-53.42	335.70	8.55	-44.87
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952394	0	41	-1.0	-61.63	346.78	7.01	-54.62
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300010952395	0	46	-1.0	-68.38	362.42	5.38	-63.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010952396	0	32	-1.0	-57.49	286.86	5.95	-51.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010952397	0	32	-1.0	-57.26	291.42	6.05	-51.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010952398	0	34	-1.0	-55.51	298.32	6.10	-49.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010952399	0	38	-1.0	-62.28	316.41	7.73	-54.55
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952400	0	39	-1.0	-64.25	326.45	4.31	-59.94
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952401	0	37	-1.0	-67.50	305.99	6.62	-60.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010952402	0	34	-1.0	-57.02	283.40	6.38	-50.64
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952403	0	39	-1.0	-51.05	334.88	6.21	-44.84
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952404	0	39	-1.0	-60.45	321.98	5.67	-54.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010952405	0	32	-1.0	-56.40	280.17	5.53	-50.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010952406	0	32	-1.0	-54.67	280.32	5.51	-49.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010952407	0	38	-1.0	-62.97	314.98	4.60	-58.37
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300010952408	0	41	-1.0	-58.64	310.01	7.37	-51.27
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952409	0	47	-1.0	-64.00	353.79	8.27	-55.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010952410	0	32	-1.0	-54.67	302.41	6.42	-48.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010952411	0	32	-1.0	-54.45	283.19	5.56	-48.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010952412	0	32	-1.0	-58.23	293.14	6.29	-51.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010952413	0	35	-1.0	-61.55	308.85	6.43	-55.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010952414	0	35	-1.0	-69.68	297.61	6.79	-62.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010952415	0	35	-1.0	-57.75	322.41	6.86	-50.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010952416	0	32	-1.0	-58.14	286.88	5.95	-52.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010952417	0	35	-1.0	-58.85	315.17	6.78	-52.07
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952418	0	37	-1.0	-60.29	310.54	5.82	-54.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010952419	0	32	-1.0	-54.53	293.08	6.01	-48.52
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952420	0	37	-1.0	-66.85	312.90	5.91	-60.94
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=CO1	REAL300010952421	0	41	-1.0	-65.67	346.48	4.50	-61.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010952422	0	31	-1.0	-52.57	297.64	4.52	-48.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010952423	0	35	-1.0	-55.62	294.59	5.97	-49.65
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952424	0	36	-1.0	-62.23	305.92	5.07	-57.16
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010952425	0	41	-1.0	-50.20	338.04	7.23	-42.97
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952426	0	41	-1.0	-67.26	347.60	6.90	-60.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010952427	0	39	-1.0	-64.03	316.04	7.37	-56.66
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=N2)C=C1	REAL300010952428	0	42	-1.0	-47.77	344.90	6.40	-41.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010952429	0	43	-1.0	-81.21	350.98	6.57	-74.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010952430	0	33	-1.0	-59.06	296.52	5.99	-53.07
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952431	0	36	-1.0	-64.83	298.60	6.32	-58.51
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010952432	0	46	-1.0	-60.51	371.31	5.43	-55.08
CC1CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010952433	0	40	-1.0	-57.20	343.97	6.54	-50.66
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010952434	0	37	-1.0	-55.22	317.31	6.75	-48.47
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952435	0	35	-1.0	-47.81	304.72	4.29	-43.52
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952436	0	43	-1.0	-64.16	356.97	6.17	-57.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010952437	0	34	-1.0	-59.32	302.42	4.90	-54.42
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952438	0	42	-1.0	-68.85	348.93	6.10	-62.75
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC=C1	REAL300010952439	0	33	-1.0	-69.53	294.91	3.89	-65.64
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300010952440	0	42	-1.0	-77.09	341.46	5.09	-72.00
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010952441	0	44	-1.0	-63.10	344.77	6.01	-57.09
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1Cl	REAL300010952442	0	34	-1.0	-54.52	300.83	4.66	-49.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010952443	0	38	-1.0	-62.00	321.88	4.51	-57.49
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952444	0	41	-1.0	-59.03	341.75	7.08	-51.95
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C#N	REAL300010952445	0	36	-1.0	-62.53	300.22	6.10	-56.43
COC1=CC(OC)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952446	0	40	-1.0	-62.06	326.46	3.97	-58.09
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952447	0	38	-1.0	-69.72	318.69	6.79	-62.93
CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1CC	REAL300010952448	0	44	-1.0	-61.91	347.18	8.00	-53.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952449	0	40	-1.0	-52.39	316.83	7.37	-45.02
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)O1	REAL300010952450	0	38	-1.0	-62.97	325.48	4.86	-58.11
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010952451	0	33	-1.0	-55.71	287.42	3.41	-52.30
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952452	0	34	-1.0	-46.41	292.99	3.20	-43.21
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C)=C1F	REAL300010952453	0	38	-1.0	-56.47	314.43	6.70	-49.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010952454	0	40	-1.0	-75.64	329.70	3.88	-71.76
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300010952455	0	39	-1.0	-58.23	324.08	4.83	-53.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010952456	0	32	-1.0	-54.41	290.63	5.94	-48.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010952457	0	31	-1.0	-55.59	282.37	4.15	-51.44
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952458	0	43	-1.0	-59.22	352.69	7.26	-51.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010952459	0	35	-1.0	-62.92	318.91	6.88	-56.04
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010952460	0	37	-1.0	-46.73	304.91	0.90	-45.83
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952461	0	35	-1.0	-57.29	293.93	6.46	-50.83
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300010952462	0	40	-1.0	-47.94	326.98	2.37	-45.57
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300010952463	0	42	-1.0	-58.18	318.05	5.98	-52.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010952464	0	40	-1.0	-64.10	336.21	4.96	-59.14
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952465	0	41	-1.0	-64.43	348.74	6.93	-57.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010952466	0	43	-1.0	-62.00	345.63	5.58	-56.42
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952467	0	41	-1.0	-72.04	350.76	6.95	-65.09
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])O1	REAL300010952468	0	38	-1.0	-51.29	326.29	5.33	-45.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010952469	0	43	-1.0	-60.79	351.71	9.49	-51.30
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952470	0	42	-1.0	-66.22	355.96	6.35	-59.87
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952471	0	45	-1.0	-62.60	377.44	6.52	-56.08
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952472	0	42	-1.0	-62.11	327.35	5.98	-56.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010952473	0	36	-1.0	-70.55	305.74	5.73	-64.82
CCOC(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952474	0	40	-1.0	-71.05	335.16	5.79	-65.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010952475	0	35	-1.0	-47.29	294.02	6.34	-40.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010952476	0	34	-1.0	-50.25	304.71	7.01	-43.24
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952477	0	37	-1.0	-72.95	295.38	7.16	-65.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010952478	0	34	-1.0	-51.25	306.71	6.55	-44.70
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010952479	0	29	-1.0	-62.94	283.46	5.12	-57.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010952480	0	36	-1.0	-56.93	302.33	5.67	-51.26
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010952481	0	40	-1.0	-49.95	308.72	5.89	-44.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010952482	0	34	-1.0	-66.11	307.66	4.93	-61.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010952483	0	40	-1.0	-60.95	333.49	4.64	-56.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010952484	0	37	-1.0	-62.82	300.08	5.75	-57.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010952485	0	31	-1.0	-52.80	292.98	4.52	-48.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010952486	0	34	-1.0	-53.45	301.98	6.13	-47.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010952487	0	34	-1.0	-52.69	314.89	6.57	-46.12
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952488	0	41	-1.0	-68.21	354.90	3.97	-64.24
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010952489	0	37	-1.0	-58.13	317.72	6.18	-51.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010952490	0	34	-1.0	-60.08	293.75	6.69	-53.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010952491	0	34	-1.0	-53.29	305.14	6.18	-47.11
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010952492	0	39	-1.0	-62.18	341.55	6.14	-56.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010952493	0	34	-1.0	-52.58	304.72	7.00	-45.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010952494	0	46	-1.0	-61.45	381.36	8.71	-52.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010952495	0	40	-1.0	-64.53	347.46	2.19	-62.34
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952496	0	40	-1.0	-66.62	333.21	6.69	-59.93
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010952497	0	41	-1.0	-61.81	342.95	6.44	-55.37
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010952498	0	42	-1.0	-58.67	355.13	6.99	-51.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010952499	0	40	-1.0	-64.97	347.62	2.07	-62.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010952500	0	35	-1.0	-66.13	302.35	6.36	-59.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010952501	0	38	-1.0	-67.44	335.59	2.99	-64.45
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1F	REAL300010952502	0	35	-1.0	-56.25	300.39	6.15	-50.10
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952503	0	39	-1.0	-64.94	335.76	6.60	-58.34
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952504	0	44	-1.0	-60.94	360.77	6.97	-53.97
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2F)N=C1	REAL300010952505	0	42	-1.0	-65.77	355.09	7.47	-58.30
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952506	0	39	-1.0	-64.39	345.48	4.59	-59.80
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952507	0	39	-1.0	-70.13	336.38	0.34	-69.79
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952508	0	35	-1.0	-60.11	300.48	6.17	-53.94
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952509	0	37	-1.0	-61.80	320.72	6.94	-54.86
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010952510	0	38	-1.0	-58.39	329.19	6.65	-51.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010952511	0	29	-1.0	-54.79	293.04	5.55	-49.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010952512	0	44	-1.0	-51.04	358.56	6.78	-44.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010952513	0	32	-1.0	-59.37	279.83	5.52	-53.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010952514	0	32	-1.0	-59.92	295.05	6.08	-53.84
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010952515	0	38	-1.0	-61.53	324.55	6.95	-54.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010952516	0	38	-1.0	-59.03	346.24	6.29	-52.74
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C12	REAL300010952517	0	40	-1.0	-57.17	336.90	5.17	-52.00
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952518	0	39	-1.0	-64.48	338.83	6.14	-58.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010952519	0	35	-1.0	-64.67	320.54	6.92	-57.75
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C12	REAL300010952520	0	36	-1.0	-58.68	310.29	2.41	-56.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010952521	0	41	-1.0	-63.44	351.67	8.27	-55.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010952522	0	34	-1.0	-61.23	306.65	6.55	-54.68
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952523	0	38	-1.0	-54.97	316.43	6.42	-48.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010952524	0	35	-1.0	-64.06	307.42	6.71	-57.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010952525	0	44	-1.0	-75.38	366.70	3.93	-71.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010952526	0	39	-1.0	-62.88	339.94	6.05	-56.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010952527	0	32	-1.0	-58.07	297.72	6.40	-51.67
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CN=C21	REAL300010952528	0	40	-1.0	-47.85	331.84	2.19	-45.66
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300010952529	0	41	-1.0	-56.77	351.67	7.04	-49.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010952530	0	40	-1.0	-55.83	327.97	5.53	-50.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010952531	0	35	-1.0	-57.79	325.94	7.40	-50.39
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010952532	0	38	-1.0	-50.39	327.41	7.43	-42.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010952533	0	35	-1.0	-57.88	318.81	7.23	-50.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010952534	0	38	-1.0	-65.05	313.06	8.08	-56.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010952535	0	38	-1.0	-51.15	318.03	7.33	-43.82
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300010952536	0	46	-1.0	-62.23	383.62	7.68	-54.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010952537	0	38	-1.0	-61.28	335.59	2.99	-58.29
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952538	0	45	-1.0	-65.31	377.53	7.01	-58.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010952539	0	43	-1.0	-69.42	372.52	2.66	-66.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010952540	0	33	-1.0	-60.55	297.44	6.02	-54.53
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1N(C)C	REAL300010952541	0	43	-1.0	-62.10	344.69	6.08	-56.02
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952542	0	32	-1.0	-56.86	291.77	4.38	-52.48
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952543	0	37	-1.0	-62.95	318.55	6.99	-55.96
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1Cl	REAL300010952544	0	32	-1.0	-44.21	283.06	3.39	-40.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010952545	0	35	-1.0	-60.16	305.44	5.99	-54.17
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952546	0	38	-1.0	-52.53	326.76	6.88	-45.65
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952547	0	44	-1.0	-60.31	339.70	5.64	-54.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010952548	0	37	-1.0	-60.41	306.06	5.28	-55.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010952549	0	38	-1.0	-65.16	330.83	2.95	-62.21
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952550	0	40	-1.0	-69.26	329.56	7.18	-62.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010952551	0	35	-1.0	-69.68	293.38	3.93	-65.75
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952552	0	42	-1.0	-69.16	347.04	5.13	-64.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010952553	0	35	-1.0	-64.09	315.98	6.80	-57.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010952554	0	33	-1.0	-80.60	288.61	6.16	-74.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010952555	0	32	-1.0	-58.92	282.82	5.84	-53.08
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952556	0	51	-1.0	-58.67	398.78	7.44	-51.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010952557	0	35	-1.0	-62.27	320.99	7.15	-55.12
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952558	0	39	-1.0	-60.19	343.85	5.03	-55.16
CC1CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300010952559	0	40	-1.0	-60.18	327.07	6.04	-54.14
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952560	0	36	-1.0	-57.92	321.89	5.64	-52.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952561	0	44	-1.0	-53.47	345.64	3.36	-50.11
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CS1	REAL300010952562	0	35	-1.0	-53.37	309.81	4.41	-48.96
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952563	0	41	-1.0	-54.25	348.70	7.35	-46.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010952564	0	43	-1.0	-57.65	377.30	8.87	-48.78
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952565	0	41	-1.0	-59.57	327.77	6.49	-53.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010952566	0	34	-1.0	-53.00	320.03	6.74	-46.26
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952567	0	36	-1.0	-54.03	322.03	6.31	-47.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952568	0	44	-1.0	-61.69	342.76	5.79	-55.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010952569	0	34	-1.0	-65.17	298.38	6.10	-59.07
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=C1	REAL300010952570	0	46	-1.0	-60.00	381.00	8.99	-51.01
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952571	0	39	-1.0	-65.72	317.29	6.04	-59.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010952572	0	36	-1.0	-63.60	314.79	6.65	-56.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010952573	0	35	-1.0	-62.86	299.21	2.88	-59.98
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952574	0	40	-1.0	-60.94	330.36	5.79	-55.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010952575	0	32	-1.0	-57.12	297.91	6.53	-50.59
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952576	0	42	-1.0	-58.71	340.98	6.26	-52.45
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010952577	0	41	-1.0	-52.46	354.71	5.50	-46.96
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952578	0	39	-1.0	-64.11	325.22	5.15	-58.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010952579	0	32	-1.0	-53.41	291.06	4.61	-48.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010952580	0	41	-1.0	-68.78	348.90	7.40	-61.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010952581	0	38	-1.0	-60.09	339.85	6.23	-53.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010952582	0	38	-1.0	-58.79	356.56	6.75	-52.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010952583	0	35	-1.0	-60.37	311.12	3.76	-56.61
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2O1	REAL300010952584	0	37	-1.0	-59.47	314.10	3.10	-56.37
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952585	0	44	-1.0	-43.66	312.97	7.61	-36.05
CC1=CC(Br)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952587	0	32	-1.0	-61.75	302.03	5.84	-55.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010952588	0	37	-1.0	-57.03	331.30	6.29	-50.74
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952589	0	41	-1.0	-65.73	334.34	7.50	-58.23
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952590	0	37	-1.0	-63.01	310.60	6.65	-56.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010952591	0	36	-1.0	-57.08	323.17	4.32	-52.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010952592	0	37	-1.0	-64.89	314.59	7.42	-57.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010952593	0	40	-1.0	-73.53	336.98	7.48	-66.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010952594	0	40	-1.0	-64.71	346.01	7.78	-56.93
CC1=NN2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=NC2=C1Cl	REAL300010952595	0	37	-1.0	-54.68	332.85	5.46	-49.22
CCCN1C=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952596	0	38	-1.0	-62.83	320.31	6.34	-56.49
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)NC1=O	REAL300010952597	0	50	-1.0	-58.42	405.61	6.33	-52.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010952598	0	32	-1.0	-52.46	294.08	5.80	-46.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010952599	0	35	-1.0	-66.25	304.55	6.31	-59.94
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC[C@@]4(C)C(=O)[O-])C=CC1=C23	REAL300010952600	0	43	-1.0	-60.66	349.45	7.20	-53.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010952601	0	36	-1.0	-65.64	320.11	6.67	-58.97
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010952602	0	37	-1.0	-52.51	320.54	6.69	-45.82
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952603	0	38	-1.0	-52.06	316.61	6.46	-45.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010952604	0	46	-1.0	-64.98	375.61	6.63	-58.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010952605	0	35	-1.0	-68.39	294.56	4.22	-64.17
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952606	0	35	-1.0	-59.93	299.90	6.54	-53.39
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952607	0	35	-1.0	-60.23	297.85	6.44	-53.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010952608	0	35	-1.0	-65.00	305.66	6.36	-58.64
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952609	0	43	-1.0	-60.31	370.92	3.11	-57.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010952610	0	31	-1.0	-57.81	280.95	4.53	-53.28
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C12	REAL300010952611	0	43	-1.0	-58.04	350.36	6.23	-51.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010952612	0	35	-1.0	-60.88	326.86	7.30	-53.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010952613	0	40	-1.0	-78.07	348.94	3.83	-74.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010952614	0	31	-1.0	-52.85	289.12	4.41	-48.44
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1C	REAL300010952615	0	38	-1.0	-50.13	308.47	4.37	-45.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952616	0	37	-1.0	-55.95	321.22	4.28	-51.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010952617	0	35	-1.0	-63.74	334.21	2.40	-61.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010952618	0	40	-1.0	-61.11	323.85	6.06	-55.05
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952619	0	42	-1.0	-59.72	340.24	6.32	-53.40
CC1=C(C)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952620	0	35	-1.0	-45.62	294.38	5.13	-40.49
COCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952621	0	39	-1.0	-61.85	325.72	5.18	-56.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010952622	0	41	-1.0	-56.35	354.65	4.54	-51.81
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010952623	0	35	-1.0	-60.16	295.33	6.37	-53.79
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300010952624	0	37	-1.0	-57.25	329.53	6.56	-50.69
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010952625	0	43	-1.0	-47.49	367.79	3.68	-43.81
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300010952626	0	45	-1.0	-63.88	368.49	8.06	-55.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010952627	0	36	-1.0	-61.07	329.03	7.01	-54.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010952628	0	41	-1.0	-56.83	328.85	8.04	-48.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010952629	0	35	-1.0	-61.34	296.18	4.09	-57.25
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010952630	0	40	-1.0	-60.05	312.08	6.27	-53.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010952631	0	38	-1.0	-54.58	315.97	6.06	-48.52
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010952632	0	45	-1.0	-72.97	357.07	6.55	-66.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010952633	0	44	-1.0	-63.69	343.81	2.51	-61.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010952634	0	38	-1.0	-56.75	338.78	3.50	-53.25
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952635	0	41	-1.0	-60.02	350.54	7.02	-53.00
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952636	0	39	-1.0	-48.72	306.29	4.52	-44.20
CCC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010952637	0	41	-1.0	-54.03	340.46	4.85	-49.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010952638	0	49	-1.0	-64.55	384.50	7.40	-57.15
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952639	0	45	-1.0	-59.45	377.17	7.28	-52.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010952640	0	33	-1.0	-55.38	297.12	6.17	-49.21
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952641	0	36	-1.0	-60.12	322.81	6.03	-54.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010952642	0	39	-1.0	-60.76	310.46	5.40	-55.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010952643	0	37	-1.0	-64.88	317.29	5.60	-59.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010952644	0	52	-1.0	-72.47	386.07	7.08	-65.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010952645	0	46	-1.0	-67.71	365.92	5.92	-61.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010952646	0	43	-1.0	-64.72	369.80	6.41	-58.31
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300010952647	0	35	-1.0	-62.48	293.86	6.11	-56.37
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952648	0	38	-1.0	-57.59	319.21	3.04	-54.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010952649	0	34	-1.0	-56.52	305.68	4.73	-51.79
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC=N1	REAL300010952650	0	34	-1.0	-73.32	307.19	3.73	-69.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952651	0	38	-1.0	-60.47	328.67	6.10	-54.37
CCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)C=C1OC	REAL300010953001	0	45	-1.0	-52.02	344.78	6.04	-45.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010953002	0	38	-1.0	-56.53	341.30	7.30	-49.23
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953003	0	40	-1.0	-68.11	337.79	6.33	-61.78
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300010953004	0	34	-1.0	-72.68	301.18	4.24	-68.44
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953005	0	35	-1.0	-58.49	313.88	7.01	-51.48
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010953006	0	41	-1.0	-50.31	311.98	7.73	-42.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010953007	0	39	-1.0	-45.80	328.46	4.82	-40.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CC#N	REAL300010953008	0	36	-1.0	-51.16	293.73	5.69	-45.47
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2NC1=O	REAL300010953009	0	41	-1.0	-60.90	341.53	5.19	-55.71
CN1N=NC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010953010	0	37	-1.0	-59.78	314.27	3.89	-55.89
CC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010953011	0	41	-1.0	-57.17	350.80	6.90	-50.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010953012	0	32	-1.0	-54.42	277.08	2.66	-51.76
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010953013	0	37	-1.0	-53.43	317.64	6.62	-46.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010953014	0	38	-1.0	-50.25	321.21	6.18	-44.07
CN1CCN(CCCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300010953016	1	48	-1.0	-63.39	369.05	2.38	-61.01
CN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Br	REAL300010953017	0	32	-1.0	-57.68	289.99	3.46	-54.22
CN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1I	REAL300010953018	0	32	-1.0	-57.19	293.27	3.83	-53.36
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953019	0	36	-1.0	-66.72	297.70	6.21	-60.51
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010953020	0	41	-1.0	-57.71	339.34	3.97	-53.74
CCCCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=N1	REAL300010953021	0	44	-1.0	-58.70	355.38	6.13	-52.57
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(OC)C=C1F	REAL300010953022	0	42	-1.0	-62.01	354.98	6.08	-55.93
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953023	0	42	-1.0	-59.77	339.61	5.70	-54.07
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953024	0	36	-1.0	-47.12	298.18	4.93	-42.19
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300010953025	0	48	-1.0	-61.11	380.45	7.69	-53.42
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010953026	0	44	-1.0	-60.64	348.72	7.70	-52.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010953027	0	33	-1.0	-56.63	294.72	5.82	-50.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010953028	0	35	-1.0	-62.03	313.86	6.77	-55.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010953029	0	51	-1.0	-63.57	395.79	10.07	-53.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010953030	0	36	-1.0	-62.83	301.74	5.36	-57.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010953031	0	29	-1.0	-61.51	273.27	3.51	-58.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010953032	0	40	-1.0	-61.71	338.74	6.39	-55.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010953033	0	31	-1.0	-52.99	288.42	4.41	-48.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010953034	0	31	-1.0	-54.05	285.48	4.00	-50.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010953035	0	31	-1.0	-53.91	275.02	3.51	-50.40
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953036	0	35	-1.0	-58.13	314.96	3.39	-54.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010953037	0	37	-1.0	-60.42	325.53	6.28	-54.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010953038	0	34	-1.0	-53.90	307.17	5.25	-48.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010953039	0	42	-1.0	-49.09	350.04	6.49	-42.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N=S1(=O)CCCC1	REAL300010953040	0	36	-1.0	-71.35	299.75	2.26	-69.09
CC1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1(Cl)Cl	REAL300010953041	0	35	-1.0	-66.43	311.08	6.23	-60.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010953042	0	31	-1.0	-61.99	298.37	3.91	-58.08
CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953043	0	38	-1.0	-83.30	317.24	3.02	-80.28
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010953044	0	34	-1.0	-58.14	303.70	6.69	-51.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010953045	0	40	-1.0	-60.55	320.66	4.81	-55.74
CCN1CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1=O	REAL300010953046	0	39	-1.0	-60.97	316.60	4.18	-56.79
CCOC(=O)C1(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCC1	REAL300010953047	0	41	-1.0	-67.73	321.76	5.66	-62.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010953048	0	43	-1.0	-71.79	358.60	2.19	-69.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010953049	0	33	-1.0	-57.75	315.53	4.57	-53.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010953050	0	35	-1.0	-59.83	322.84	6.56	-53.27
CN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C(F)(F)F	REAL300010953051	0	35	-1.0	-55.88	292.96	3.69	-52.19
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953052	0	42	-1.0	-56.80	324.38	5.16	-51.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010953053	0	29	-1.0	-56.85	272.61	4.85	-52.00
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300010953054	0	44	-1.0	-50.62	337.45	5.11	-45.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010953055	0	42	-1.0	-50.26	330.67	4.91	-45.35
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953056	0	35	-1.0	-53.70	293.94	3.80	-49.90
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=N1	REAL300010953057	0	32	-1.0	-56.73	291.90	3.54	-53.19
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953058	0	39	-1.0	-64.63	328.50	5.69	-58.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010953059	0	46	-1.0	-57.73	375.65	6.63	-51.10
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953060	0	42	-1.0	-61.15	347.85	8.23	-52.92
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953061	0	35	-1.0	-72.60	305.11	2.91	-69.69
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953062	0	35	-1.0	-58.28	313.88	7.01	-51.27
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953063	0	38	-1.0	-58.66	309.75	4.33	-54.33
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010953064	0	37	-1.0	-60.66	317.75	6.01	-54.65
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953065	0	41	-1.0	-82.17	336.39	3.45	-78.72
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300010953066	0	54	-1.0	-60.54	423.07	9.26	-51.28
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C#N)=C1	REAL300010953067	0	36	-1.0	-61.57	302.30	6.24	-55.33
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953068	0	36	-1.0	-73.39	291.27	6.12	-67.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010953069	0	35	-1.0	-61.08	309.69	6.40	-54.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010953070	0	43	-1.0	-64.84	352.16	5.90	-58.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010953071	0	36	-1.0	-59.29	321.13	7.26	-52.03
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010953072	0	54	-1.0	-59.62	414.13	9.14	-50.48
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1CC	REAL300010953073	0	48	-1.0	-60.43	385.03	7.97	-52.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010953074	0	39	-1.0	-66.36	333.86	7.39	-58.97
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953075	0	38	-1.0	-54.55	305.33	7.21	-47.34
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953076	0	46	-1.0	-77.23	369.41	5.27	-71.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010953077	0	35	-1.0	-62.42	327.86	7.33	-55.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010953078	0	35	-1.0	-62.79	318.74	6.91	-55.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010953079	0	42	-1.0	-68.27	354.64	7.52	-60.75
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953080	0	38	-1.0	-61.30	327.82	7.46	-53.84
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953081	0	34	-1.0	-56.72	293.11	4.57	-52.15
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300010953082	0	36	-1.0	-62.20	313.11	5.40	-56.80
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953083	0	42	-1.0	-62.29	344.33	7.84	-54.45
CC(C)(CCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC1	REAL300010953084	0	44	-1.0	-63.78	336.45	7.01	-56.77
CCOC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N(C)N=C1	REAL300010953085	0	41	-1.0	-51.17	327.38	4.62	-46.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010953086	0	36	-1.0	-62.44	318.64	7.16	-55.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300010953087	0	41	-1.0	-65.71	338.92	7.85	-57.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010953088	0	37	-1.0	-65.45	307.07	2.53	-62.92
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010953089	0	36	-1.0	-67.43	307.86	1.04	-66.39
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953090	0	41	-1.0	-50.42	315.42	6.88	-43.54
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)OC	REAL300010953091	0	44	-1.0	-59.56	376.20	7.09	-52.47
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953092	0	45	-1.0	-56.23	361.14	5.17	-51.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010953093	0	41	-1.0	-64.60	332.30	6.26	-58.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010953094	0	32	-1.0	-62.16	273.48	5.32	-56.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010953095	0	38	-1.0	-62.48	323.84	7.14	-55.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953096	0	48	-1.0	-62.47	378.13	7.95	-54.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010953097	0	37	-1.0	-62.25	300.00	5.73	-56.52
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010953098	0	52	-1.0	-68.67	397.60	7.93	-60.74
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953099	0	39	-1.0	-61.28	335.03	5.74	-55.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)SC=C1	REAL300010953100	0	30	-1.0	-59.97	276.60	4.78	-55.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010953101	0	46	-1.0	-61.38	366.04	5.53	-55.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010953102	0	47	-1.0	-80.72	378.16	8.04	-72.68
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010953103	0	46	-1.0	-81.27	371.29	7.39	-73.88
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953104	0	35	-1.0	-61.64	294.31	2.83	-58.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010953105	0	39	-1.0	-51.13	312.87	4.28	-46.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010953106	0	39	-1.0	-48.93	313.43	4.59	-44.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010953107	0	42	-1.0	-47.85	335.51	5.30	-42.55
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953108	0	44	-1.0	-58.72	354.17	8.01	-50.71
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953109	0	45	-1.0	-59.40	368.18	6.23	-53.17
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953110	0	42	-1.0	-56.21	339.65	5.70	-50.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010953111	0	43	-1.0	-64.21	346.15	3.65	-60.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010953112	0	38	-1.0	-46.61	329.16	5.68	-40.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010953113	0	38	-1.0	-62.59	321.22	2.67	-59.92
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010953114	0	29	-1.0	-46.53	267.90	4.15	-42.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300010953115	0	39	-1.0	-56.28	307.68	4.79	-51.49
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010953116	0	36	-1.0	-53.64	313.35	4.92	-48.72
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010953117	0	36	-1.0	-59.62	309.44	4.83	-54.79
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300010953118	0	57	-1.0	-60.50	444.57	10.04	-50.46
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010953119	0	48	-1.0	-51.98	360.94	6.46	-45.52
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953120	0	42	-1.0	-52.65	338.40	6.31	-46.34
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300010953121	0	55	-1.0	-63.34	435.93	7.91	-55.43
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953122	0	35	-1.0	-58.53	284.80	5.52	-53.01
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2O1	REAL300010953123	0	40	-1.0	-66.61	326.07	6.23	-60.38
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010953124	0	40	-1.0	-43.99	331.02	4.43	-39.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010953125	0	40	-1.0	-67.45	338.40	7.64	-59.81
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953126	0	36	-1.0	-61.21	304.94	5.95	-55.26
CC1=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)S1	REAL300010953127	0	35	-1.0	-59.63	304.13	6.48	-53.15
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300010953128	0	35	-1.0	-60.41	309.07	7.12	-53.29
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010953129	0	49	-1.0	-77.43	379.47	7.51	-69.92
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010953130	0	38	-1.0	-63.37	318.28	5.82	-57.55
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300010953131	0	46	-1.0	-71.36	366.91	6.98	-64.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300010953132	0	29	-1.0	-57.00	270.43	4.75	-52.25
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953133	0	32	-1.0	-45.40	288.38	2.80	-42.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010953134	0	34	-1.0	-55.77	304.52	4.60	-51.17
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953135	0	37	-1.0	-69.97	307.57	5.44	-64.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010953136	0	36	-1.0	-59.67	323.03	5.96	-53.71
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010953137	0	33	-1.0	-55.87	285.19	4.22	-51.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010953138	0	35	-1.0	-61.52	310.20	4.42	-57.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010953139	0	35	-1.0	-60.22	309.17	6.90	-53.32
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953140	0	39	-1.0	-49.92	316.82	4.35	-45.57
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1F	REAL300010953141	0	41	-1.0	-43.74	311.81	6.68	-37.06
COC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300010953142	0	40	-1.0	-51.13	321.16	4.67	-46.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010953143	0	41	-1.0	-71.63	338.73	2.65	-68.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010953144	0	33	-1.0	-58.89	311.00	6.34	-52.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300010953145	0	35	-1.0	-60.03	297.85	5.67	-54.36
COC1=CC=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300010953146	0	40	-1.0	-54.07	326.55	4.96	-49.11
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953147	0	35	-1.0	-47.98	323.52	4.94	-43.04
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300010953148	0	45	-1.0	-50.19	347.89	5.36	-44.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010953149	0	36	-1.0	-60.69	315.65	7.06	-53.63
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300010953150	0	39	-1.0	-50.35	318.20	4.44	-45.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010953152	0	36	-1.0	-60.64	309.88	5.03	-55.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010953153	0	36	-1.0	-61.64	323.15	5.97	-55.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010953154	0	35	-1.0	-65.35	297.34	4.56	-60.79
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C21	REAL300010953155	0	37	-1.0	-69.01	313.45	4.06	-64.95
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Br	REAL300010953156	0	38	-1.0	-50.72	313.17	6.43	-44.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010953157	0	38	-1.0	-42.09	333.24	5.91	-36.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010953158	0	35	-1.0	-59.42	299.74	5.69	-53.73
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2CCC2)=N1	REAL300010953159	0	42	-1.0	-50.17	333.91	4.95	-45.22
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953160	0	50	-1.0	-51.31	369.96	8.23	-43.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010953161	0	38	-1.0	-57.55	341.37	7.31	-50.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300010953162	0	29	-1.0	-57.47	271.43	4.86	-52.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010953163	0	42	-1.0	-44.71	336.86	5.26	-39.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010953164	0	36	-1.0	-65.93	310.61	6.60	-59.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010953165	0	43	-1.0	-50.97	362.67	7.73	-43.24
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953166	0	45	-1.0	-70.56	360.45	3.85	-66.71
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010953167	0	41	-1.0	-77.49	332.55	7.04	-70.45
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953168	0	41	-1.0	-61.42	334.56	7.64	-53.78
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953169	0	38	-1.0	-49.19	322.89	3.03	-46.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010953170	0	33	-1.0	-60.82	287.24	5.64	-55.18
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953171	0	39	-1.0	-49.87	306.96	3.99	-45.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010953172	0	36	-1.0	-52.53	323.84	6.71	-45.82
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C=C1	REAL300010953173	0	44	-1.0	-62.34	371.14	8.35	-53.99
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953174	0	41	-1.0	-48.89	300.77	4.17	-44.72
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010953175	0	41	-1.0	-51.50	327.41	4.31	-47.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010953176	0	39	-1.0	-58.17	313.11	4.37	-53.80
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010953177	0	37	-1.0	-56.22	321.11	5.23	-50.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010953178	0	35	-1.0	-54.67	312.62	6.42	-48.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010953179	0	35	-1.0	-62.03	298.64	6.27	-55.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010953180	0	32	-1.0	-46.96	288.16	5.05	-41.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010953181	0	32	-1.0	-38.17	294.45	4.92	-33.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010953182	0	35	-1.0	-56.38	322.40	6.86	-49.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010953183	0	35	-1.0	-55.95	286.73	5.96	-49.99
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953184	0	43	-1.0	-66.27	354.70	7.46	-58.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010953185	0	43	-1.0	-50.18	334.46	7.82	-42.36
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010953186	0	42	-1.0	-69.44	347.68	7.05	-62.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010953187	0	38	-1.0	-45.50	327.43	5.81	-39.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010953188	0	37	-1.0	-63.03	326.82	6.09	-56.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010953189	0	39	-1.0	-68.21	323.17	3.88	-64.33
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953190	0	42	-1.0	-57.76	366.85	6.22	-51.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010953191	0	32	-1.0	-67.82	294.55	5.67	-62.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010953192	0	39	-1.0	-48.14	311.65	6.81	-41.33
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=CS1	REAL300010953193	0	33	-1.0	-64.13	290.87	4.11	-60.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010953194	0	35	-1.0	-56.86	289.76	6.64	-50.22
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953195	0	38	-1.0	-58.74	336.58	5.80	-52.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010953196	0	39	-1.0	-60.36	322.98	7.57	-52.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010953197	0	42	-1.0	-46.81	327.84	5.30	-41.51
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953198	0	41	-1.0	-46.57	322.87	4.57	-42.00
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953199	0	41	-1.0	-64.70	341.61	2.95	-61.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010953200	0	35	-1.0	-47.55	316.16	1.27	-46.28
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953201	0	44	-1.0	-61.43	355.69	8.63	-52.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010953202	0	32	-1.0	-48.97	288.76	4.80	-44.17
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953203	0	36	-1.0	-60.17	308.51	5.51	-54.66
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300010953204	0	46	-1.0	-49.84	357.86	3.61	-46.23
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953205	0	38	-1.0	-61.02	323.38	6.96	-54.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010953206	0	36	-1.0	-62.04	309.40	5.01	-57.03
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010953207	0	33	-1.0	-58.10	292.46	3.88	-54.22
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300010953208	0	43	-1.0	-55.32	329.31	7.27	-48.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300010953209	0	35	-1.0	-48.61	295.57	3.30	-45.31
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953210	0	42	-1.0	-64.27	347.08	6.12	-58.15
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953211	0	41	-1.0	-64.06	337.82	7.20	-56.86
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953212	0	42	-1.0	-51.46	346.07	5.87	-45.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010953213	0	45	-1.0	-45.12	349.28	5.55	-39.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010953214	0	43	-1.0	-59.17	359.86	8.30	-50.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300010953215	0	35	-1.0	-59.85	279.03	5.93	-53.92
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953216	0	44	-1.0	-53.75	350.69	7.03	-46.72
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C)=C1Br	REAL300010953217	0	38	-1.0	-56.90	325.10	7.11	-49.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010953218	0	37	-1.0	-60.59	324.26	6.58	-54.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010953219	0	31	-1.0	-62.94	294.12	3.82	-59.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010953220	0	33	-1.0	-60.44	293.96	5.82	-54.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010953221	0	36	-1.0	-63.82	311.15	5.05	-58.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010953222	0	38	-1.0	-49.86	344.16	6.17	-43.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010953223	0	44	-1.0	-63.81	356.57	3.32	-60.49
CCN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010953224	0	35	-1.0	-57.77	309.56	4.32	-53.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010953225	0	36	-1.0	-62.25	322.66	7.25	-55.00
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])=C2	REAL300010953226	0	38	-1.0	-58.06	356.65	6.72	-51.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010953227	0	32	-1.0	-59.41	298.02	6.25	-53.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010953228	0	34	-1.0	-53.22	308.29	4.60	-48.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010953229	0	37	-1.0	-53.66	318.48	5.83	-47.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010953230	0	37	-1.0	-50.07	313.50	5.49	-44.58
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953231	0	41	-1.0	-64.53	322.56	8.03	-56.50
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953232	0	36	-1.0	-63.63	319.58	6.34	-57.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010953233	0	39	-1.0	-63.28	328.56	5.82	-57.46
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010953234	0	46	-1.0	-60.97	375.02	6.95	-54.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010953235	0	32	-1.0	-54.03	295.80	6.01	-48.02
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])O1	REAL300010953236	0	38	-1.0	-59.27	327.73	1.75	-57.52
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010953237	0	42	-1.0	-55.68	344.49	6.01	-49.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010953238	0	38	-1.0	-63.37	345.08	2.91	-60.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010953239	0	36	-1.0	-48.24	304.33	6.14	-42.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010953240	0	36	-1.0	-59.20	325.69	7.35	-51.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010953241	0	36	-1.0	-47.76	319.21	6.70	-41.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010953242	0	37	-1.0	-71.68	315.98	-0.46	-72.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010953243	0	35	-1.0	-65.41	301.63	5.89	-59.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300010953244	0	38	-1.0	-64.67	303.88	5.92	-58.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010953245	0	34	-1.0	-59.32	298.35	4.77	-54.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOC1CCOC1	REAL300010953246	0	40	-1.0	-61.34	327.33	2.81	-58.53
CC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010953247	0	41	-1.0	-60.66	334.54	4.55	-56.11
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010953248	0	49	-1.0	-64.88	347.09	8.37	-56.51
CC1(C)COC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300010953249	0	42	-1.0	-67.69	330.29	4.79	-62.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010953250	0	35	-1.0	-69.65	301.12	1.23	-68.42
CC(C)(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C(C)(F)F	REAL300010953251	0	40	-1.0	-60.51	311.60	6.00	-54.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300010953252	0	40	-1.0	-72.28	342.65	2.38	-69.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010953253	0	45	-1.0	-64.60	344.91	5.67	-58.93
CCOC(=O)C1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C2C=CC=CN21	REAL300010953254	0	44	-1.0	-65.05	376.89	7.21	-57.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010953255	0	42	-1.0	-63.37	343.12	7.90	-55.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010953256	0	36	-1.0	-65.45	318.16	4.58	-60.87
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2C=C1	REAL300010953257	0	41	-1.0	-58.24	346.10	7.28	-50.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010953258	0	42	-1.0	-68.29	354.31	8.46	-59.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010953259	0	41	-1.0	-71.90	323.18	3.26	-68.64
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953260	0	41	-1.0	-69.15	345.40	6.47	-62.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010953261	0	45	-1.0	-64.26	340.11	7.61	-56.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010953262	0	36	-1.0	-45.70	306.09	6.09	-39.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010953263	0	54	-1.0	-62.37	400.29	9.64	-52.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010953264	0	35	-1.0	-62.28	315.91	6.25	-56.03
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953265	0	43	-1.0	-60.95	348.25	6.60	-54.35
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=NN1	REAL300010953266	0	38	-1.0	-48.74	326.79	2.74	-46.00
COC1=CSC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300010953267	0	37	-1.0	-44.40	312.11	3.51	-40.89
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953268	0	35	-1.0	-48.08	319.45	4.83	-43.25
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953269	0	36	-1.0	-59.74	319.14	6.53	-53.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010953270	0	36	-1.0	-48.73	312.59	5.69	-43.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010953271	0	36	-1.0	-62.96	316.01	5.10	-57.86
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953272	0	38	-1.0	-48.14	304.50	4.50	-43.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010953273	0	35	-1.0	-49.54	296.48	6.08	-43.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010953274	0	41	-1.0	-58.91	349.37	5.93	-52.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010953275	0	29	-1.0	-53.65	295.56	5.56	-48.09
CN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300010953276	0	32	-1.0	-57.79	287.73	3.45	-54.34
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953277	0	45	-1.0	-60.39	354.64	7.56	-52.83
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010953278	0	49	-1.0	-60.91	389.17	7.35	-53.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010953279	0	35	-1.0	-50.07	315.11	5.94	-44.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010953280	0	37	-1.0	-62.61	322.49	6.11	-56.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010953281	0	43	-1.0	-60.64	359.52	8.30	-52.34
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953282	0	38	-1.0	-57.72	303.66	6.46	-51.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010953283	0	37	-1.0	-59.14	325.29	4.01	-55.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010953284	0	33	-1.0	-59.14	310.28	4.49	-54.65
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953285	0	34	-1.0	-58.29	290.45	4.58	-53.71
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953286	0	43	-1.0	-65.13	353.81	7.05	-58.08
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300010953287	0	42	-1.0	-50.74	339.75	5.27	-45.47
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010953288	0	36	-1.0	-69.04	300.38	4.82	-64.22
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010953289	0	38	-1.0	-59.81	333.10	8.22	-51.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010953290	0	42	-1.0	-58.68	358.41	9.31	-49.37
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(Cl)S1	REAL300010953291	0	35	-1.0	-46.76	315.12	5.33	-41.43
CCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300010953292	0	38	-1.0	-57.68	329.54	7.33	-50.35
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953293	0	45	-1.0	-56.92	357.35	6.59	-50.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300010953294	0	29	-1.0	-57.69	280.63	5.00	-52.69
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953295	0	46	-1.0	-66.96	372.41	5.87	-61.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010953296	0	38	-1.0	-60.51	321.89	8.03	-52.48
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953297	0	40	-1.0	-47.88	312.73	2.73	-45.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010953298	0	39	-1.0	-51.04	303.52	6.58	-44.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010953299	0	47	-1.0	-61.21	372.22	5.81	-55.40
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953300	0	35	-1.0	-58.24	310.38	3.29	-54.95
COC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010953301	0	38	-1.0	-56.77	317.49	2.86	-53.91
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010953302	0	41	-1.0	-50.37	325.85	4.74	-45.63
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953303	0	41	-1.0	-58.90	331.31	5.11	-53.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010953304	0	31	-1.0	-55.19	300.69	3.50	-51.69
COCC1=CC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=NO1	REAL300010953305	0	38	-1.0	-67.86	324.52	3.42	-64.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)C=CS1	REAL300010953306	0	30	-1.0	-68.57	276.02	4.60	-63.97
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010953307	0	41	-1.0	-68.93	355.24	4.42	-64.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010953308	0	36	-1.0	-59.58	335.36	7.68	-51.90
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953309	0	38	-1.0	-60.81	316.76	4.72	-56.09
COC(=O)C1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010953310	0	40	-1.0	-55.57	337.26	4.82	-50.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010953311	0	35	-1.0	-53.22	304.18	6.78	-46.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010953312	0	39	-1.0	-48.11	312.85	4.66	-43.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010953313	0	39	-1.0	-51.55	311.44	5.44	-46.11
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=NN1C(C)C	REAL300010953314	0	41	-1.0	-64.47	330.41	5.20	-59.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010953315	0	39	-1.0	-61.93	331.65	7.67	-54.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010953316	0	34	-1.0	-57.45	297.54	4.44	-53.01
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010953317	0	46	-1.0	-59.88	376.78	8.91	-50.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010953318	0	39	-1.0	-63.36	331.63	7.66	-55.70
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010953319	0	36	-1.0	-59.72	318.47	5.85	-53.87
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953320	0	41	-1.0	-53.66	328.83	6.11	-47.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010953321	0	35	-1.0	-62.38	305.84	6.33	-56.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010953322	0	36	-1.0	-60.69	318.06	4.67	-56.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010953323	0	39	-1.0	-51.84	315.65	6.73	-45.11
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010953324	0	35	-1.0	-56.66	310.28	6.84	-49.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010953325	0	36	-1.0	-55.88	319.72	5.25	-50.63
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(F)F)=C1	REAL300010953326	0	39	-1.0	-47.44	316.81	5.15	-42.29
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)OC	REAL300010953327	0	45	-1.0	-60.18	374.40	7.06	-53.12
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C1	REAL300010953328	0	45	-1.0	-62.17	366.81	7.90	-54.27
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953329	0	38	-1.0	-58.11	332.63	3.72	-54.39
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953330	0	38	-1.0	-50.06	332.58	6.91	-43.15
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953331	0	37	-1.0	-73.31	313.69	5.15	-68.16
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010953332	0	38	-1.0	-79.07	311.98	6.95	-72.12
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300010953333	0	40	-1.0	-70.02	325.74	7.09	-62.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010953334	0	28	-1.0	-56.23	278.09	3.76	-52.47
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(Cl)S1	REAL300010953335	0	32	-1.0	-59.85	290.48	5.70	-54.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010953336	0	39	-1.0	-59.55	340.73	6.34	-53.21
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953337	0	45	-1.0	-53.22	353.55	6.92	-46.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010953338	0	38	-1.0	-50.39	317.90	7.29	-43.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010953339	0	31	-1.0	-45.82	268.33	3.19	-42.63
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010953340	0	32	-1.0	-57.22	288.83	6.00	-51.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010953341	0	32	-1.0	-45.64	274.54	5.13	-40.51
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953342	0	44	-1.0	-61.36	316.64	7.70	-53.66
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953343	0	38	-1.0	-57.78	310.22	6.36	-51.42
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953344	0	41	-1.0	-58.69	344.00	6.95	-51.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010953345	0	32	-1.0	-44.28	288.29	5.52	-38.76
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953346	0	38	-1.0	-57.61	322.97	6.11	-51.50
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953347	0	44	-1.0	-59.80	343.83	7.71	-52.09
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953348	0	41	-1.0	-59.95	327.85	7.32	-52.63
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953349	0	44	-1.0	-59.73	346.13	7.95	-51.78
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953350	0	43	-1.0	-60.77	363.19	3.39	-57.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010953351	0	36	-1.0	-59.33	303.22	2.19	-57.14
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953352	0	42	-1.0	-62.92	349.80	4.42	-58.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010953353	0	34	-1.0	-40.30	301.42	5.72	-34.58
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010953354	0	32	-1.0	-61.40	285.66	6.42	-54.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010953355	0	29	-1.0	-56.86	278.39	5.11	-51.75
CCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953356	0	41	-1.0	-60.02	332.01	7.61	-52.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010953357	0	32	-1.0	-42.82	294.48	5.66	-37.16
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300010953358	0	36	-1.0	-57.17	317.35	5.33	-51.84
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953359	0	43	-1.0	-70.46	348.00	3.60	-66.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010953360	0	32	-1.0	-40.78	282.73	4.90	-35.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010953361	0	32	-1.0	-55.37	304.40	6.48	-48.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010953362	0	32	-1.0	-45.79	272.60	5.07	-40.72
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010953363	0	44	-1.0	-63.19	380.40	6.75	-56.44
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953364	0	44	-1.0	-73.62	372.44	7.63	-65.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010953365	0	32	-1.0	-66.56	276.35	5.64	-60.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010953366	0	31	-1.0	-39.99	274.31	3.34	-36.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010953367	0	32	-1.0	-43.28	286.80	5.29	-37.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010953368	0	35	-1.0	-45.38	308.22	6.58	-38.80
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300010953369	0	35	-1.0	-56.55	306.94	6.56	-49.99
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1NC(C)=O	REAL300010953370	0	43	-1.0	-68.69	351.25	3.67	-65.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010953371	0	36	-1.0	-57.48	316.91	5.25	-52.23
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1C	REAL300010953372	0	47	-1.0	-62.01	338.38	7.84	-54.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010953373	0	41	-1.0	-62.17	330.19	5.31	-56.86
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953374	0	37	-1.0	-63.82	314.37	6.66	-57.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010953375	0	29	-1.0	-56.89	283.02	5.21	-51.68
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300010953376	0	38	-1.0	-58.47	319.80	7.44	-51.03
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953377	0	36	-1.0	-51.24	313.48	5.29	-45.95
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953378	0	50	-1.0	-60.10	358.44	8.93	-51.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010953379	0	48	-1.0	-59.56	369.47	9.20	-50.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010953380	0	35	-1.0	-56.69	309.67	6.46	-50.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010953381	0	42	-1.0	-60.52	330.21	7.85	-52.67
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953382	0	40	-1.0	-56.14	321.54	3.95	-52.19
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300010953383	0	40	-1.0	-59.45	326.18	4.57	-54.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010953384	0	42	-1.0	-59.31	364.67	4.96	-54.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010953385	0	39	-1.0	-61.45	312.96	7.28	-54.17
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953386	0	39	-1.0	-62.95	343.90	3.63	-59.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010953387	0	40	-1.0	-60.96	325.04	7.87	-53.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010953388	0	32	-1.0	-47.38	276.48	4.84	-42.54
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953389	0	42	-1.0	-67.55	344.04	5.19	-62.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010953390	0	29	-1.0	-43.18	284.69	4.72	-38.46
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953391	0	47	-1.0	-59.96	371.08	8.90	-51.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010953392	0	38	-1.0	-71.84	312.48	7.91	-63.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010953393	0	42	-1.0	-60.55	341.67	8.78	-51.77
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010953394	0	35	-1.0	-41.90	311.93	6.04	-35.86
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953395	0	35	-1.0	-60.02	294.17	6.37	-53.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010953396	0	32	-1.0	-55.30	302.56	6.90	-48.40
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953397	0	47	-1.0	-59.75	358.05	8.18	-51.57
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953398	0	35	-1.0	-57.45	302.96	6.48	-50.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010953399	0	32	-1.0	-52.56	289.62	5.62	-46.94
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300010953400	0	35	-1.0	-48.27	291.49	5.46	-42.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010953401	0	32	-1.0	-42.91	297.14	5.45	-37.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010953402	0	35	-1.0	-46.65	309.09	5.77	-40.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010953403	0	32	-1.0	-42.39	296.91	5.45	-36.94
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010953404	0	32	-1.0	-42.76	282.60	4.90	-37.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010953405	0	33	-1.0	-45.82	283.36	3.58	-42.24
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300010953406	0	35	-1.0	-56.29	294.15	6.07	-50.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010953407	0	35	-1.0	-53.24	311.79	6.43	-46.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010953408	0	37	-1.0	-56.74	303.67	5.76	-50.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010953409	0	35	-1.0	-45.04	297.88	6.13	-38.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010953410	0	43	-1.0	-59.85	373.87	8.84	-51.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010953411	0	32	-1.0	-45.04	286.11	5.29	-39.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010953412	0	32	-1.0	-42.33	281.66	5.20	-37.13
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953413	0	38	-1.0	-44.33	319.73	5.30	-39.03
CC1=CC=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953414	0	35	-1.0	-48.70	291.44	5.43	-43.27
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953415	0	36	-1.0	-57.11	303.16	4.73	-52.38
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953416	0	35	-1.0	-57.23	294.22	6.07	-51.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010953417	0	32	-1.0	-59.26	282.56	5.71	-53.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010953418	0	32	-1.0	-56.46	294.42	6.03	-50.43
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)C=C1	REAL300010953419	0	47	-1.0	-58.41	385.68	7.50	-50.91
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953420	0	39	-1.0	-61.35	337.28	4.87	-56.48
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953421	0	48	-1.0	-68.96	380.80	8.84	-60.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010953422	0	36	-1.0	-68.40	316.86	6.68	-61.72
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300010953423	0	35	-1.0	-61.17	304.53	7.00	-54.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010953424	0	35	-1.0	-63.01	325.80	7.22	-55.79
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953425	0	42	-1.0	-53.57	329.46	6.12	-47.45
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010953426	0	39	-1.0	-59.02	318.04	2.81	-56.21
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010953427	0	40	-1.0	-60.37	329.20	2.76	-57.61
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953428	0	37	-1.0	-44.47	303.44	5.89	-38.58
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300010953429	0	39	-1.0	-54.59	325.82	3.68	-50.91
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953430	0	37	-1.0	-65.63	309.73	6.82	-58.81
CN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300010953431	0	32	-1.0	-56.95	284.92	4.82	-52.13
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953432	0	35	-1.0	-56.95	295.30	6.11	-50.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953433	0	38	-1.0	-57.27	338.97	6.53	-50.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010953434	0	41	-1.0	-73.77	352.65	3.61	-70.16
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300010953435	0	39	-1.0	-69.98	329.12	4.37	-65.61
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300010953436	0	46	-1.0	-79.50	360.44	7.03	-72.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300010953437	0	37	-1.0	-77.40	319.10	1.56	-75.84
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1C	REAL300010953438	0	42	-1.0	-64.04	332.38	6.22	-57.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010953439	0	32	-1.0	-46.68	281.66	5.20	-41.48
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300010953440	0	43	-1.0	-60.61	353.65	4.94	-55.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010953441	0	35	-1.0	-62.04	315.27	6.87	-55.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010953442	0	32	-1.0	-56.08	303.54	6.43	-49.65
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953443	0	45	-1.0	-69.35	371.16	5.15	-64.20
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953444	0	46	-1.0	-57.79	374.49	3.67	-54.12
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953445	0	40	-1.0	-58.25	332.19	7.81	-50.44
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953446	0	44	-1.0	-60.17	348.77	8.08	-52.09
COCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953447	0	42	-1.0	-60.00	344.19	5.90	-54.10
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953448	0	35	-1.0	-60.03	304.48	6.82	-53.21
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953449	0	48	-1.0	-58.35	379.35	7.69	-50.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010953450	0	46	-1.0	-59.09	361.49	7.56	-51.53
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953451	0	45	-1.0	-59.36	363.86	7.18	-52.18
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953452	0	42	-1.0	-59.43	343.76	6.48	-52.95
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953453	0	36	-1.0	-57.12	312.97	5.22	-51.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010953454	0	36	-1.0	-58.87	322.74	5.48	-53.39
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953455	0	39	-1.0	-59.38	317.05	5.41	-53.97
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300010953456	0	45	-1.0	-59.63	356.77	6.96	-52.67
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300010953457	0	39	-1.0	-49.15	304.68	4.52	-44.63
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953458	0	43	-1.0	-61.79	355.89	4.95	-56.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010953459	0	35	-1.0	-63.63	299.20	6.29	-57.34
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953460	0	43	-1.0	-65.46	358.27	5.04	-60.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010953461	0	47	-1.0	-60.23	372.45	4.85	-55.38
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Br)=C1	REAL300010953462	0	35	-1.0	-47.32	296.68	5.79	-41.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010953463	0	38	-1.0	-50.28	333.91	2.56	-47.72
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953464	0	38	-1.0	-72.52	334.47	7.48	-65.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010953465	0	37	-1.0	-62.04	308.29	5.75	-56.29
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953466	0	36	-1.0	-60.25	304.94	5.79	-54.46
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953467	0	36	-1.0	-45.03	296.02	5.61	-39.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010953468	0	33	-1.0	-42.42	290.81	5.16	-37.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010953469	0	36	-1.0	-39.52	315.52	5.81	-33.71
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OC	REAL300010953470	0	42	-1.0	-62.70	349.51	6.07	-56.63
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953471	0	41	-1.0	-57.28	338.22	6.56	-50.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010953472	0	41	-1.0	-65.15	336.19	5.42	-59.73
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010953473	0	41	-1.0	-55.35	334.43	5.70	-49.65
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953474	0	41	-1.0	-52.91	322.36	4.62	-48.29
CC(C)N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953475	0	38	-1.0	-44.78	307.74	3.70	-41.08
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953476	0	41	-1.0	-68.41	336.12	6.67	-61.74
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953477	0	38	-1.0	-67.81	317.04	6.08	-61.73
CC(C)C1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1	REAL300010953478	0	38	-1.0	-64.20	312.39	4.40	-59.80
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953479	0	44	-1.0	-63.81	325.85	8.20	-55.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010953480	0	45	-1.0	-73.64	375.70	8.52	-65.12
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953481	0	40	-1.0	-66.15	333.91	4.79	-61.36
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1Cl	REAL300010953482	0	39	-1.0	-64.19	346.62	5.16	-59.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010953483	0	39	-1.0	-60.09	333.97	6.70	-53.39
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300010953484	0	38	-1.0	-44.01	332.37	5.49	-38.52
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010953485	0	36	-1.0	-44.64	317.25	4.87	-39.77
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010953486	0	42	-1.0	-50.85	356.66	6.77	-44.08
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(Br)O1	REAL300010953487	0	35	-1.0	-47.49	321.64	4.02	-43.47
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(Br)S1	REAL300010953488	0	32	-1.0	-56.89	302.97	6.05	-50.84
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1	REAL300010953489	0	36	-1.0	-59.59	312.44	3.76	-55.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010953490	0	33	-1.0	-54.21	303.64	6.18	-48.03
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953491	0	40	-1.0	-69.88	302.08	7.50	-62.38
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953492	0	38	-1.0	-53.51	327.90	5.71	-47.80
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953493	0	41	-1.0	-67.74	348.09	3.83	-63.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010953494	0	36	-1.0	-44.75	312.18	6.45	-38.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010953495	0	33	-1.0	-54.32	303.66	6.17	-48.15
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953496	0	48	-1.0	-58.88	380.10	7.12	-51.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010953497	0	43	-1.0	-65.79	355.56	5.35	-60.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010953498	0	44	-1.0	-61.51	379.95	3.30	-58.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953499	0	40	-1.0	-61.28	344.23	1.56	-59.72
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953500	0	42	-1.0	-69.28	365.53	4.39	-64.89
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300010953501	0	35	-1.0	-58.94	311.35	4.37	-54.57
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953502	0	38	-1.0	-57.80	329.81	5.03	-52.77
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953503	0	34	-1.0	-60.49	295.75	3.89	-56.60
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010953504	0	34	-1.0	-47.99	287.75	6.07	-41.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010953505	0	35	-1.0	-61.27	327.43	7.26	-54.01
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)N1	REAL300010953506	0	45	-1.0	-58.67	359.88	5.84	-52.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010953507	0	32	-1.0	-64.85	283.59	6.11	-58.74
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])S2)=CS1	REAL300010953508	0	38	-1.0	-59.76	348.69	6.03	-53.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010953509	0	52	-1.0	-58.22	402.01	8.98	-49.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010953510	0	42	-1.0	-63.66	364.78	4.95	-58.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010953511	0	32	-1.0	-57.10	295.32	6.48	-50.62
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953512	0	41	-1.0	-61.89	342.47	6.95	-54.94
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010953513	0	34	-1.0	-74.44	308.06	7.52	-66.92
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300010953514	0	40	-1.0	-49.21	328.50	3.97	-45.24
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300010953515	0	43	-1.0	-63.47	346.41	5.51	-57.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010953516	0	34	-1.0	-53.49	309.70	7.40	-46.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010953517	0	35	-1.0	-64.13	306.88	6.23	-57.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010953518	0	33	-1.0	-40.09	283.22	4.88	-35.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010953519	0	33	-1.0	-40.32	293.55	5.33	-34.99
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300010953520	0	35	-1.0	-57.42	307.00	6.56	-50.86
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953521	0	35	-1.0	-63.80	292.52	6.34	-57.46
COC(=O)CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953522	0	38	-1.0	-69.01	328.60	4.19	-64.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010953523	0	38	-1.0	-65.45	326.59	8.32	-57.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010953524	0	37	-1.0	-42.78	319.72	6.73	-36.05
CC1=C(Br)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953525	0	32	-1.0	-56.87	302.57	5.79	-51.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010953526	0	36	-1.0	-68.12	309.87	6.56	-61.56
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(F)=C1F	REAL300010953527	0	38	-1.0	-54.25	332.96	6.11	-48.14
CC1=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C2C=C1	REAL300010953528	0	40	-1.0	-70.30	329.22	7.20	-63.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010953529	0	43	-1.0	-59.77	346.39	3.95	-55.82
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Br	REAL300010953530	0	35	-1.0	-47.90	293.34	5.68	-42.22
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953531	0	38	-1.0	-76.56	329.35	6.66	-69.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010953532	0	40	-1.0	-60.21	328.09	3.18	-57.03
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010953533	0	38	-1.0	-55.04	322.93	6.12	-48.92
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953534	0	38	-1.0	-59.24	326.45	7.33	-51.91
COCCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953535	0	39	-1.0	-43.42	322.75	2.23	-41.19
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953536	0	45	-1.0	-69.20	362.41	8.17	-61.03
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953537	0	42	-1.0	-65.92	338.45	7.08	-58.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010953538	0	37	-1.0	-75.12	315.83	5.53	-69.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010953539	0	39	-1.0	-47.92	323.55	5.72	-42.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010953540	0	34	-1.0	-60.04	311.85	6.49	-53.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010953541	0	33	-1.0	-43.95	283.11	4.82	-39.13
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953542	0	46	-1.0	-60.89	374.27	5.82	-55.07
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953543	0	48	-1.0	-59.17	386.76	8.04	-51.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010953544	0	34	-1.0	-45.25	292.95	6.51	-38.74
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300010953545	0	38	-1.0	-58.74	326.77	6.05	-52.69
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300010953546	0	38	-1.0	-44.82	340.33	6.09	-38.73
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953547	0	42	-1.0	-59.61	346.81	5.35	-54.26
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953548	0	35	-1.0	-53.17	310.90	4.42	-48.75
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953549	0	44	-1.0	-58.23	347.04	6.41	-51.82
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C	REAL300010953550	0	41	-1.0	-57.95	338.30	6.56	-51.39
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953551	0	38	-1.0	-53.87	324.80	5.41	-48.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010953552	0	42	-1.0	-50.24	314.85	7.02	-43.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010953553	0	38	-1.0	-63.51	320.56	7.36	-56.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010953554	0	31	-1.0	-54.46	283.91	4.14	-50.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010953555	0	36	-1.0	-58.31	327.29	6.91	-51.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010953556	0	32	-1.0	-56.39	294.41	6.02	-50.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010953557	0	39	-1.0	-71.72	332.17	3.25	-68.47
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953558	0	35	-1.0	-63.05	305.36	6.84	-56.21
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300010953559	0	36	-1.0	-56.01	317.37	5.33	-50.68
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300010953560	0	43	-1.0	-59.17	344.87	6.61	-52.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010953561	0	40	-1.0	-61.43	346.36	2.14	-59.29
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OC	REAL300010953562	0	49	-1.0	-66.90	398.50	4.51	-62.39
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953563	0	36	-1.0	-50.73	304.62	4.41	-46.32
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953564	0	41	-1.0	-70.65	349.63	3.78	-66.87
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010953565	0	34	-1.0	-55.50	315.72	5.27	-50.23
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953566	0	37	-1.0	-58.13	314.36	5.45	-52.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010953567	0	33	-1.0	-56.38	309.48	6.37	-50.01
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300010953568	0	39	-1.0	-56.76	339.22	6.26	-50.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010953569	0	37	-1.0	-58.49	318.24	0.83	-57.66
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2S1	REAL300010953570	0	46	-1.0	-58.15	380.49	7.31	-50.84
COC(=O)CC1(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300010953571	0	41	-1.0	-61.19	336.19	6.04	-55.15
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953572	0	37	-1.0	-72.08	330.49	5.57	-66.51
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010953573	0	37	-1.0	-59.77	303.50	4.67	-55.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010953574	0	40	-1.0	-70.56	336.13	6.85	-63.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010953575	0	38	-1.0	-73.64	307.06	1.75	-71.89
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953576	0	42	-1.0	-60.89	350.05	6.35	-54.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010953577	0	37	-1.0	-60.67	315.72	5.54	-55.13
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300010953578	0	42	-1.0	-49.17	326.62	5.46	-43.71
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953579	0	40	-1.0	-68.84	344.08	1.53	-67.31
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953580	0	41	-1.0	-72.96	342.67	7.20	-65.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010953581	0	36	-1.0	-51.47	301.94	4.92	-46.55
CSC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953582	0	36	-1.0	-59.49	311.11	6.47	-53.02
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953583	0	44	-1.0	-56.95	365.54	7.75	-49.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010953584	0	38	-1.0	-66.50	334.73	7.29	-59.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010953585	0	31	-1.0	-41.79	285.15	3.63	-38.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010953586	0	38	-1.0	-52.12	307.02	4.48	-47.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010953587	0	37	-1.0	-51.46	296.24	4.87	-46.59
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953588	0	35	-1.0	-59.93	309.06	6.92	-53.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010953589	0	40	-1.0	-61.44	327.17	4.55	-56.89
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953590	0	48	-1.0	-62.00	382.24	6.29	-55.71
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OCC	REAL300010953591	0	46	-1.0	-60.42	369.83	6.42	-54.00
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010953592	0	38	-1.0	-45.22	313.06	3.41	-41.81
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953593	0	38	-1.0	-61.90	300.22	4.22	-57.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010953594	0	37	-1.0	-62.38	321.86	0.35	-62.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010953595	0	43	-1.0	-69.02	345.24	6.48	-62.54
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953596	0	46	-1.0	-70.82	360.54	7.00	-63.82
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953597	0	40	-1.0	-54.81	319.43	6.49	-48.32
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953598	0	38	-1.0	-57.58	322.19	6.02	-51.56
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953599	0	43	-1.0	-70.29	349.56	6.48	-63.81
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953600	0	39	-1.0	-61.35	327.33	3.72	-57.63
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010953601	0	36	-1.0	-64.03	301.87	2.14	-61.89
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2CC1C	REAL300010953602	0	46	-1.0	-65.58	364.61	6.99	-58.59
COC(=O)C1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=CS1	REAL300010953603	0	35	-1.0	-75.76	312.99	5.62	-70.14
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953604	0	35	-1.0	-57.18	316.83	5.21	-51.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010953605	0	36	-1.0	-53.96	324.08	6.55	-47.41
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953606	0	38	-1.0	-73.01	322.67	4.25	-68.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010953607	0	38	-1.0	-63.37	324.05	2.37	-61.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010953608	0	38	-1.0	-61.08	318.15	2.60	-58.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010953609	0	38	-1.0	-48.00	323.83	2.29	-45.71
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2N=C1	REAL300010953610	0	40	-1.0	-56.27	325.16	6.39	-49.88
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010953611	0	38	-1.0	-78.34	320.79	6.31	-72.03
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953612	0	36	-1.0	-46.62	308.25	5.15	-41.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010953613	0	36	-1.0	-46.49	308.68	5.13	-41.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010953614	0	37	-1.0	-68.88	321.71	0.32	-68.56
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953615	0	38	-1.0	-61.30	322.31	6.03	-55.27
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010953616	0	44	-1.0	-62.14	376.44	3.21	-58.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010953617	0	37	-1.0	-63.28	322.20	6.92	-56.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010953618	0	35	-1.0	-62.44	300.39	6.31	-56.13
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Cl)=C1	REAL300010953619	0	35	-1.0	-47.52	294.61	5.71	-41.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010953620	0	38	-1.0	-60.43	322.91	1.75	-58.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010953621	0	38	-1.0	-65.38	331.64	2.98	-62.40
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2C1=O	REAL300010953622	0	39	-1.0	-60.66	333.02	4.64	-56.02
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953623	0	35	-1.0	-45.94	281.61	5.29	-40.65
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CN=C12	REAL300010953624	0	40	-1.0	-67.97	327.39	6.86	-61.11
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953625	0	38	-1.0	-58.45	321.55	5.33	-53.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010953626	0	37	-1.0	-58.12	315.04	6.87	-51.25
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953627	0	40	-1.0	-80.12	329.67	8.20	-71.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010953628	0	36	-1.0	-55.58	313.52	5.17	-50.41
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953629	0	43	-1.0	-67.91	363.07	3.36	-64.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010953630	0	32	-1.0	-42.44	279.59	5.11	-37.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010953631	0	34	-1.0	-73.68	308.07	7.52	-66.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010953632	0	44	-1.0	-72.03	355.19	4.80	-67.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010953633	0	42	-1.0	-68.22	342.98	9.33	-58.89
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953634	0	41	-1.0	-60.83	344.17	6.96	-53.87
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300010953635	0	46	-1.0	-70.57	357.40	5.22	-65.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010953636	0	32	-1.0	-56.60	284.19	5.88	-50.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010953637	0	32	-1.0	-56.41	288.76	5.99	-50.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010953638	0	34	-1.0	-55.46	299.16	6.13	-49.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010953639	0	38	-1.0	-61.48	313.25	7.65	-53.83
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953640	0	39	-1.0	-63.33	323.18	4.27	-59.06
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953641	0	37	-1.0	-58.29	315.61	6.98	-51.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010953642	0	34	-1.0	-56.76	283.55	6.37	-50.39
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953643	0	39	-1.0	-64.10	338.43	7.05	-57.05
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953644	0	39	-1.0	-59.71	322.26	5.68	-54.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010953645	0	32	-1.0	-42.92	276.47	4.84	-38.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010953646	0	32	-1.0	-55.39	283.75	5.59	-49.80
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010953647	0	38	-1.0	-62.16	311.98	4.52	-57.64
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300010953648	0	41	-1.0	-60.81	303.66	7.27	-53.54
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953649	0	47	-1.0	-63.53	353.00	8.28	-55.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010953650	0	32	-1.0	-56.30	299.32	6.33	-49.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010953651	0	32	-1.0	-56.93	280.10	5.48	-51.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010953652	0	32	-1.0	-45.85	289.93	5.55	-40.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010953653	0	35	-1.0	-57.03	306.26	6.38	-50.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010953654	0	35	-1.0	-50.41	291.63	6.06	-44.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010953655	0	35	-1.0	-53.20	319.37	6.79	-46.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010953656	0	32	-1.0	-57.34	284.27	5.90	-51.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010953657	0	35	-1.0	-46.13	312.27	6.08	-40.05
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953658	0	37	-1.0	-60.45	312.12	5.86	-54.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010953659	0	32	-1.0	-56.33	290.00	5.92	-50.41
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953660	0	37	-1.0	-66.06	310.29	5.86	-60.20
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=CO1	REAL300010953661	0	41	-1.0	-61.88	343.99	4.45	-57.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010953662	0	31	-1.0	-51.78	294.67	4.42	-47.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010953663	0	35	-1.0	-50.01	292.67	5.15	-44.86
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953664	0	36	-1.0	-50.87	302.54	4.34	-46.53
COC(=O)C1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300010953665	0	41	-1.0	-51.34	339.24	7.27	-44.07
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953666	0	41	-1.0	-66.40	344.58	6.84	-59.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010953667	0	39	-1.0	-64.53	308.14	7.11	-57.42
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=N2)C=C1	REAL300010953668	0	42	-1.0	-57.81	351.15	7.21	-50.60
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300010953669	0	43	-1.0	-80.49	347.95	6.50	-73.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010953670	0	33	-1.0	-43.57	292.61	5.19	-38.38
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953671	0	36	-1.0	-60.70	308.17	6.70	-54.00
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010953672	0	46	-1.0	-63.47	369.61	5.12	-58.35
CC1CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300010953673	0	40	-1.0	-56.69	341.23	6.51	-50.18
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010953674	0	37	-1.0	-54.27	314.37	6.67	-47.60
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953675	0	35	-1.0	-59.63	311.66	4.31	-55.32
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953676	0	43	-1.0	-61.11	356.80	6.18	-54.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010953677	0	34	-1.0	-58.47	302.47	4.93	-53.54
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953678	0	42	-1.0	-69.87	336.59	5.63	-64.24
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])SC=C1	REAL300010953679	0	33	-1.0	-68.72	289.87	3.77	-64.95
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C	REAL300010953680	0	42	-1.0	-68.80	342.39	5.15	-63.65
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300010953681	0	44	-1.0	-62.65	342.01	5.94	-56.71
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1Cl	REAL300010953682	0	34	-1.0	-56.07	298.17	4.55	-51.52
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010953683	0	38	-1.0	-60.24	318.72	4.43	-55.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953684	0	41	-1.0	-60.40	342.29	7.11	-53.29
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C#N	REAL300010953685	0	36	-1.0	-47.13	296.40	5.28	-41.85
COC1=CC(OC)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953686	0	40	-1.0	-62.70	329.90	4.05	-58.65
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953687	0	38	-1.0	-69.02	315.65	6.71	-62.31
CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1CC	REAL300010953688	0	44	-1.0	-61.12	344.47	7.93	-53.19
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953689	0	40	-1.0	-54.64	310.52	7.27	-47.37
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)O1	REAL300010953690	0	38	-1.0	-54.08	320.66	4.16	-49.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010953691	0	33	-1.0	-55.90	287.81	3.52	-52.38
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953692	0	34	-1.0	-45.68	292.61	3.17	-42.51
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C)=C1F	REAL300010953693	0	38	-1.0	-57.40	317.64	6.78	-50.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010953694	0	40	-1.0	-67.45	327.06	3.83	-63.62
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300010953695	0	39	-1.0	-67.40	330.44	5.57	-61.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010953696	0	32	-1.0	-54.39	290.62	5.95	-48.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010953697	0	31	-1.0	-54.57	279.34	4.03	-50.54
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953698	0	43	-1.0	-59.24	353.50	7.28	-51.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010953699	0	35	-1.0	-63.51	316.48	6.82	-56.69
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300010953700	0	37	-1.0	-61.18	311.36	1.61	-59.57
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953701	0	35	-1.0	-46.08	291.95	5.73	-40.35
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300010953702	0	40	-1.0	-61.45	333.21	3.12	-58.33
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300010953703	0	42	-1.0	-59.47	311.70	5.90	-53.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010953704	0	40	-1.0	-50.77	332.98	4.23	-46.54
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953705	0	41	-1.0	-65.58	348.78	6.91	-58.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010953706	0	43	-1.0	-61.10	343.00	5.51	-55.59
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953707	0	41	-1.0	-71.10	348.78	6.91	-64.19
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300010953708	0	38	-1.0	-58.95	333.21	5.29	-53.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010953709	0	43	-1.0	-60.69	351.64	9.49	-51.20
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953710	0	42	-1.0	-63.79	356.77	6.38	-57.41
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953711	0	45	-1.0	-63.68	377.72	6.53	-57.15
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953712	0	42	-1.0	-63.24	336.93	6.35	-56.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010953713	0	36	-1.0	-64.04	308.64	5.79	-58.25
CCOC(=O)CCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953714	0	40	-1.0	-69.46	332.78	5.74	-63.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010953715	0	35	-1.0	-46.21	294.26	6.35	-39.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010953716	0	34	-1.0	-74.06	312.62	7.63	-66.43
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953717	0	37	-1.0	-44.50	291.69	6.54	-37.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010953718	0	34	-1.0	-40.21	303.48	5.80	-34.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300010953719	0	29	-1.0	-61.82	280.03	5.04	-56.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010953720	0	36	-1.0	-56.51	303.48	5.71	-50.80
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010953721	0	40	-1.0	-61.10	310.78	6.19	-54.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010953722	0	34	-1.0	-62.73	305.59	4.89	-57.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010953723	0	40	-1.0	-46.87	329.85	3.96	-42.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010953724	0	37	-1.0	-51.17	296.29	4.98	-46.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010953725	0	31	-1.0	-42.65	289.79	3.81	-38.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010953726	0	34	-1.0	-40.58	298.30	5.45	-35.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010953727	0	34	-1.0	-54.52	311.86	6.48	-48.04
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953728	0	41	-1.0	-56.58	347.43	3.55	-53.03
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010953729	0	37	-1.0	-45.95	308.79	5.13	-40.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010953730	0	34	-1.0	-78.94	304.88	6.71	-72.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010953731	0	34	-1.0	-52.48	302.05	6.11	-46.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010953732	0	39	-1.0	-59.64	338.37	6.05	-53.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010953733	0	34	-1.0	-73.34	312.63	7.63	-65.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010953734	0	46	-1.0	-59.68	378.86	8.68	-51.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010953735	0	40	-1.0	-50.13	343.59	1.49	-48.64
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953736	0	40	-1.0	-65.86	330.60	6.64	-59.22
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010953737	0	41	-1.0	-61.82	342.84	6.42	-55.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010953738	0	42	-1.0	-62.29	355.14	6.97	-55.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010953739	0	40	-1.0	-67.99	344.62	1.99	-66.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010953740	0	35	-1.0	-64.93	300.38	6.32	-58.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010953741	0	38	-1.0	-61.25	332.59	2.92	-58.33
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(F)C=C1F	REAL300010953742	0	35	-1.0	-43.44	296.65	5.46	-37.98
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953743	0	39	-1.0	-52.34	331.71	5.84	-46.50
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953744	0	44	-1.0	-60.44	358.17	6.90	-53.54
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2F)N=C1	REAL300010953745	0	42	-1.0	-57.88	351.04	7.22	-50.66
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953746	0	39	-1.0	-60.32	345.09	5.33	-54.99
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953747	0	39	-1.0	-65.62	333.98	0.27	-65.35
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953748	0	35	-1.0	-47.82	296.86	5.49	-42.33
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953749	0	37	-1.0	-49.55	319.95	6.33	-43.22
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010953750	0	38	-1.0	-49.77	320.61	6.68	-43.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010953751	0	29	-1.0	-43.17	289.33	4.83	-38.34
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010953752	0	44	-1.0	-62.61	364.45	7.46	-55.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010953753	0	32	-1.0	-45.33	276.22	4.84	-40.49
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010953754	0	32	-1.0	-46.34	291.38	5.40	-40.94
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010953755	0	38	-1.0	-60.65	321.90	6.90	-53.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010953756	0	38	-1.0	-57.91	341.04	6.21	-51.70
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C12	REAL300010953757	0	40	-1.0	-56.16	333.83	5.09	-51.07
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953758	0	39	-1.0	-65.82	341.02	6.17	-59.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010953759	0	35	-1.0	-64.69	320.48	6.92	-57.77
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C12	REAL300010953760	0	36	-1.0	-57.88	307.32	2.31	-55.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010953761	0	41	-1.0	-62.50	349.16	8.24	-54.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010953762	0	34	-1.0	-49.26	303.49	5.80	-43.46
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953763	0	38	-1.0	-72.47	324.14	7.03	-65.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010953764	0	35	-1.0	-62.24	307.46	6.70	-55.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010953765	0	44	-1.0	-76.19	367.52	3.95	-72.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010953766	0	39	-1.0	-61.89	339.98	6.04	-55.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010953767	0	32	-1.0	-45.75	294.50	5.66	-40.09
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CN=C21	REAL300010953768	0	40	-1.0	-58.69	337.23	2.78	-55.91
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300010953769	0	41	-1.0	-58.86	348.63	6.97	-51.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010953770	0	40	-1.0	-74.56	334.94	6.09	-68.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010953771	0	35	-1.0	-58.17	324.69	7.39	-50.78
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010953772	0	38	-1.0	-62.51	328.91	8.01	-54.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010953773	0	35	-1.0	-46.65	315.49	6.47	-40.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010953774	0	38	-1.0	-63.27	313.72	8.01	-55.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010953775	0	38	-1.0	-73.78	329.20	8.42	-65.36
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300010953776	0	46	-1.0	-62.36	383.83	7.67	-54.69
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010953777	0	38	-1.0	-62.11	332.51	2.90	-59.21
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953778	0	45	-1.0	-63.69	373.99	6.90	-56.79
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010953779	0	43	-1.0	-65.90	370.12	2.59	-63.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010953780	0	33	-1.0	-60.24	297.13	6.03	-54.21
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1N(C)C	REAL300010953781	0	43	-1.0	-61.21	342.06	6.02	-55.19
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953782	0	32	-1.0	-54.53	283.31	4.27	-50.26
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953783	0	37	-1.0	-54.79	328.07	7.35	-47.44
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1Cl	REAL300010953784	0	32	-1.0	-62.15	288.72	4.79	-57.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010953785	0	35	-1.0	-44.19	301.85	5.20	-38.99
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953786	0	38	-1.0	-73.13	334.47	7.47	-65.66
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953787	0	44	-1.0	-57.18	336.87	5.48	-51.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300010953788	0	37	-1.0	-60.72	306.26	5.28	-55.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010953789	0	38	-1.0	-71.19	328.17	2.88	-68.31
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953790	0	40	-1.0	-57.43	325.06	6.41	-51.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010953791	0	35	-1.0	-78.89	298.56	4.67	-74.22
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953792	0	42	-1.0	-65.34	346.85	5.15	-60.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010953793	0	35	-1.0	-64.16	315.92	6.80	-57.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010953794	0	33	-1.0	-80.49	288.27	6.16	-74.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010953795	0	32	-1.0	-46.83	279.59	5.11	-41.72
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953796	0	51	-1.0	-55.04	378.48	8.30	-46.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010953797	0	35	-1.0	-62.22	320.77	7.16	-55.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953798	0	39	-1.0	-50.51	339.04	4.30	-46.21
CC1CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300010953799	0	40	-1.0	-59.93	327.41	6.05	-53.88
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953800	0	36	-1.0	-46.90	318.79	4.92	-41.98
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953801	0	44	-1.0	-69.19	360.68	4.38	-64.81
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CS1	REAL300010953802	0	35	-1.0	-64.44	315.43	5.09	-59.35
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953803	0	41	-1.0	-71.05	356.80	7.97	-63.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010953804	0	43	-1.0	-59.59	374.74	8.83	-50.76
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953805	0	41	-1.0	-59.25	326.60	6.47	-52.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010953806	0	34	-1.0	-52.11	316.94	6.66	-45.45
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953807	0	36	-1.0	-54.32	322.68	6.34	-47.98
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953808	0	44	-1.0	-53.36	342.11	5.28	-48.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010953809	0	34	-1.0	-64.38	295.74	6.05	-58.33
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=C1	REAL300010953810	0	46	-1.0	-59.34	379.41	8.98	-50.36
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953811	0	39	-1.0	-52.90	313.75	5.32	-47.58
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300010953812	0	36	-1.0	-63.58	314.83	6.64	-56.94
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010953813	0	35	-1.0	-62.85	299.17	2.87	-59.98
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953814	0	40	-1.0	-60.84	330.74	5.82	-55.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010953815	0	32	-1.0	-56.32	295.24	6.46	-49.86
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953816	0	42	-1.0	-59.48	341.61	6.23	-53.25
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300010953817	0	41	-1.0	-52.30	355.20	5.53	-46.77
COCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953818	0	39	-1.0	-63.33	322.60	5.10	-58.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010953819	0	32	-1.0	-61.21	300.64	5.44	-55.77
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010953820	0	41	-1.0	-64.87	348.86	7.40	-57.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010953821	0	38	-1.0	-61.37	330.51	6.55	-54.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010953822	0	38	-1.0	-57.54	351.36	6.66	-50.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC(F)(F)F	REAL300010953823	0	35	-1.0	-60.42	311.21	3.76	-56.66
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2O1	REAL300010953824	0	37	-1.0	-58.67	311.06	3.03	-55.64
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953825	0	44	-1.0	-58.19	316.45	8.39	-49.80
CC1=CC(Br)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953827	0	32	-1.0	-61.66	301.94	5.84	-55.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010953828	0	37	-1.0	-45.48	327.50	5.58	-39.90
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300010953829	0	41	-1.0	-64.56	332.98	7.49	-57.07
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953830	0	37	-1.0	-55.10	320.12	7.00	-48.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010953831	0	36	-1.0	-58.15	320.16	4.25	-53.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010953832	0	37	-1.0	-64.83	314.63	7.41	-57.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010953833	0	40	-1.0	-68.13	337.05	7.49	-60.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010953834	0	40	-1.0	-63.25	343.57	7.71	-55.54
CC1=NN2C=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=NC2=C1Cl	REAL300010953835	0	37	-1.0	-47.91	328.40	4.74	-43.17
CCCN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953836	0	38	-1.0	-68.38	318.91	6.45	-61.93
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)NC1=O	REAL300010953837	0	50	-1.0	-44.34	401.84	5.48	-38.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010953838	0	32	-1.0	-52.93	293.94	5.74	-47.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010953839	0	35	-1.0	-66.23	304.52	6.31	-59.92
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC[C@]4(C)C(=O)[O-])C=CC1=C23	REAL300010953840	0	43	-1.0	-51.85	345.75	6.43	-45.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010953841	0	36	-1.0	-65.67	320.04	6.67	-59.00
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010953842	0	37	-1.0	-52.41	320.42	6.70	-45.71
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953843	0	38	-1.0	-73.05	324.14	7.03	-66.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010953844	0	46	-1.0	-58.53	373.35	6.57	-51.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010953845	0	35	-1.0	-78.84	302.17	5.22	-73.62
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953846	0	35	-1.0	-47.53	296.67	5.81	-41.72
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953847	0	35	-1.0	-47.74	294.61	5.73	-42.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010953848	0	35	-1.0	-65.01	305.60	6.36	-58.65
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953849	0	43	-1.0	-60.26	367.82	3.03	-57.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010953850	0	31	-1.0	-59.20	282.28	4.38	-54.82
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C12	REAL300010953851	0	43	-1.0	-49.89	346.78	5.45	-44.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010953852	0	35	-1.0	-60.87	326.73	7.30	-53.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010953853	0	40	-1.0	-78.09	349.28	3.87	-74.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010953854	0	31	-1.0	-43.40	285.77	3.64	-39.76
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1C	REAL300010953855	0	38	-1.0	-63.96	314.78	5.23	-58.73
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953856	0	37	-1.0	-55.92	321.17	4.27	-51.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010953857	0	35	-1.0	-56.37	330.51	1.69	-54.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010953858	0	40	-1.0	-59.74	321.11	6.00	-53.74
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953859	0	42	-1.0	-60.32	340.50	6.32	-54.00
CC1=C(C)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953860	0	35	-1.0	-60.65	301.64	5.83	-54.82
COCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953861	0	39	-1.0	-61.04	322.69	5.12	-55.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010953862	0	41	-1.0	-70.71	355.99	4.92	-65.79
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300010953863	0	35	-1.0	-47.99	291.79	5.64	-42.35
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300010953864	0	37	-1.0	-55.01	324.22	6.39	-48.62
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010953865	0	43	-1.0	-61.77	374.02	4.41	-57.36
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300010953866	0	45	-1.0	-60.72	365.75	8.00	-52.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010953867	0	36	-1.0	-61.01	329.07	7.00	-54.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010953868	0	41	-1.0	-72.92	330.39	8.85	-64.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010953869	0	35	-1.0	-57.57	293.56	4.04	-53.53
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010953870	0	40	-1.0	-72.26	315.88	7.50	-64.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010953871	0	38	-1.0	-75.30	323.12	6.87	-68.43
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300010953872	0	45	-1.0	-73.83	364.51	6.93	-66.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300010953873	0	44	-1.0	-63.65	343.77	2.51	-61.14
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010953874	0	38	-1.0	-56.25	339.05	3.52	-52.73
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N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955088	0	33	-1.0	-46.72	305.81	4.70	-42.02
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CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=NC=CC=C2C=C1	REAL300010955090	0	37	-1.0	-62.40	294.01	5.05	-57.35
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCC1	REAL300010955091	0	35	-1.0	-44.81	298.14	5.00	-39.81
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=CC=CC=C12	REAL300010955092	0	42	-1.0	-57.95	341.96	4.54	-53.41
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCC1	REAL300010955093	0	41	-1.0	-58.00	321.75	0.79	-57.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCC1	REAL300010955094	0	35	-1.0	-38.71	314.92	1.22	-37.49
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955095	0	38	-1.0	-40.91	329.35	4.82	-36.09
CCC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C(C(=O)OC)O1	REAL300010955096	0	38	-1.0	-45.94	321.04	3.51	-42.43
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CCC1	REAL300010955097	0	46	-1.0	-62.29	357.35	5.43	-56.86
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955098	0	42	-1.0	-45.88	359.54	5.02	-40.86
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(Cl)=C1	REAL300010955099	0	30	-1.0	-37.50	282.00	4.21	-33.29
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955100	0	33	-1.0	-49.35	286.11	4.55	-44.80
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCC1	REAL300010955101	0	34	-1.0	-58.25	294.77	3.89	-54.36
O=C([O-])C1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CCC1	REAL300010955102	0	49	-1.0	-52.98	368.08	4.94	-48.04
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCC1	REAL300010955103	0	43	-1.0	-61.32	341.50	4.11	-57.21
O=C([O-])C1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CCC1	REAL300010955104	0	40	-1.0	-38.54	340.94	3.87	-34.67
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300010955105	0	35	-1.0	-41.23	295.35	0.76	-40.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCC1	REAL300010955106	0	31	-1.0	-38.10	281.81	2.44	-35.66
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)SC=N1	REAL300010955107	1	31	-1.0	-42.27	279.48	1.47	-40.80
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955108	0	35	-1.0	-41.00	307.49	3.90	-37.10
CC(C)(CS(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C(C)(F)F	REAL300010958001	0	50	-1.0	-59.10	360.39	6.60	-52.50
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)CCCCS(C)(=O)=O)C2	REAL300010958002	0	50	-1.0	-58.62	393.77	2.76	-55.86
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)CC1CCC(C)(C)CO1)C2	REAL300010958003	0	55	-1.0	-47.99	400.18	5.89	-42.10
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C2	REAL300010958004	0	52	-1.0	-67.17	398.56	8.11	-59.06
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)CC1=CC=CC3=NSN=C31)C2	REAL300010958005	0	46	-1.0	-56.16	371.26	5.00	-51.16
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)CC1C[C@@H]3COC[C@@H]3O1)C2	REAL300010958006	0	51	-1.0	-47.59	375.82	3.49	-44.10
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958007	0	51	-1.0	-47.12	395.68	6.83	-40.29
COCCC1(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300010958008	0	49	-1.0	-44.05	362.03	4.53	-39.52
CCN1N=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300010958009	0	44	-1.0	-52.80	345.22	2.86	-49.94
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]3CCCC[C@H]13)C2	REAL300010958010	0	55	-1.0	-63.90	392.18	8.11	-55.79
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(C3CC3)S1)C2	REAL300010958011	0	46	-1.0	-48.15	367.59	7.29	-40.86
COC(=O)C1CCCCN1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958012	0	53	-1.0	-52.38	380.81	6.51	-45.87
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C2	REAL300010958013	0	45	-1.0	-57.64	370.29	7.12	-50.52
COC1=CC=C(C=C(C)S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300010958014	0	53	-1.0	-48.52	398.05	7.00	-41.52
CC1=COC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958015	0	42	-1.0	-49.59	329.26	4.69	-44.90
CC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300010958016	0	42	-1.0	-49.84	329.27	4.84	-45.00
CCC1=NNC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958017	0	45	-1.0	-49.01	345.66	3.67	-45.34
CC1=CC=CC(CNS(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958018	0	50	-1.0	-46.00	382.12	5.83	-40.17
CCOC(=O)C1=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=NN1	REAL300010958019	0	48	-1.0	-61.14	384.42	3.95	-57.19
COC1=CSC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1OC	REAL300010958020	0	47	-1.0	-53.38	373.64	4.73	-48.65
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300010958021	0	54	-1.0	-47.34	383.27	6.40	-40.94
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958022	0	53	-1.0	-60.25	400.45	8.00	-52.25
COC1=CC(F)=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(F)=C1	REAL300010958023	0	46	-1.0	-50.85	360.26	5.52	-45.33
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958024	0	48	-1.0	-53.13	367.22	5.89	-47.24
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300010958025	0	39	-1.0	-43.54	349.33	6.09	-37.45
CN1N=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1Cl	REAL300010958026	0	42	-1.0	-48.61	335.15	3.80	-44.81
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958027	0	50	-1.0	-70.72	375.61	5.98	-64.74
CC(=O)OC1CCN(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300010958028	0	49	-1.0	-54.85	363.67	8.78	-46.07
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958029	0	48	-1.0	-49.20	355.48	7.80	-41.40
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=C(C#N)C=CO1)C2	REAL300010958030	0	40	-1.0	-52.06	325.92	4.46	-47.60
COC(=O)C1=CNN=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958031	0	45	-1.0	-57.24	354.43	3.67	-53.57
CC1=CC(Cl)=NC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958032	0	44	-1.0	-40.88	351.34	5.50	-35.38
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958033	0	53	-1.0	-49.42	407.22	7.59	-41.83
CCN1C=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(C2CC2)=N1	REAL300010958034	0	52	-1.0	-58.33	400.19	6.80	-51.53
CC1=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=NSN=C2C=C1	REAL300010958035	0	46	-1.0	-48.18	362.07	5.37	-42.81
CC(=O)OC1CCN(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300010958036	0	50	-1.0	-59.13	383.71	5.46	-53.67
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958037	0	55	-1.0	-50.68	410.57	7.18	-43.50
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=C(Cl)OC=C1)C2	REAL300010958038	0	39	-1.0	-47.56	314.14	4.26	-43.30
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(Cl)=CS1)C2	REAL300010958039	0	39	-1.0	-45.59	332.55	5.48	-40.11
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958040	0	50	-1.0	-51.84	371.54	3.66	-48.18
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C2	REAL300010958041	0	49	-1.0	-48.63	358.78	7.55	-41.08
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC(C)(C)CC1)C2	REAL300010958042	0	53	-1.0	-45.52	371.26	5.57	-39.95
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC(CO)CC1)C2	REAL300010958043	0	51	-1.0	-46.80	372.80	2.10	-44.70
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958044	0	45	-1.0	-48.60	359.82	3.95	-44.65
COC1=NC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1C	REAL300010958045	0	48	-1.0	-48.07	370.89	3.37	-44.70
CC(C)CN1C=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300010958046	0	51	-1.0	-57.45	387.79	6.46	-50.99
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958047	0	51	-1.0	-50.61	388.42	5.62	-44.99
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C2	REAL300010958048	0	41	-1.0	-44.13	351.46	3.98	-40.15
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C2	REAL300010958049	0	52	-1.0	-42.88	377.94	3.18	-39.70
COCC1=CC(CS(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=NO1	REAL300010958050	0	48	-1.0	-54.09	380.71	3.66	-50.43
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=C(C#N)OC=C1)C2	REAL300010958051	0	40	-1.0	-46.63	318.67	4.01	-42.62
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=C(C#N)C=CS1)C2	REAL300010958052	0	40	-1.0	-51.95	333.04	5.34	-46.61
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300010958053	0	46	-1.0	-54.21	371.92	4.01	-50.20
CC1=C(C)C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C(C)S1	REAL300010958054	0	48	-1.0	-47.02	365.47	7.29	-39.73
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NNN=C1)C2	REAL300010958055	0	38	-1.0	-50.34	300.34	0.92	-49.42
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NC=CC=C1Cl)C2	REAL300010958056	0	41	-1.0	-53.39	327.97	4.62	-48.77
COC1=CC=NC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958057	0	45	-1.0	-51.87	339.97	4.24	-47.63
CC1=CC=NC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958058	0	44	-1.0	-42.83	333.21	5.04	-37.79
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C2	REAL300010958059	0	44	-1.0	-49.35	358.10	5.05	-44.30
COC1=NC=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1Cl	REAL300010958060	0	45	-1.0	-44.58	350.38	2.87	-41.71
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958061	0	49	-1.0	-55.25	385.58	3.83	-51.42
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)N=C1	REAL300010958062	0	53	-1.0	-49.74	397.10	6.41	-43.33
CC(C)N1N=CC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958063	0	48	-1.0	-48.32	364.37	5.22	-43.10
CC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=CC=CN=C12	REAL300010958064	0	50	-1.0	-49.77	380.87	7.29	-42.48
COC(=O)C1=NC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C1C	REAL300010958065	0	50	-1.0	-47.77	390.43	5.32	-42.45
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C2	REAL300010958066	0	45	-1.0	-51.46	359.17	7.86	-43.60
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=NN1CC1CC1)C2	REAL300010958067	0	49	-1.0	-45.70	369.90	5.69	-40.01
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C2	REAL300010958068	0	49	-1.0	-52.32	378.57	7.22	-45.10
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C2	REAL300010958069	0	44	-1.0	-52.60	353.62	4.98	-47.62
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC3=CC=CN=C31)C2	REAL300010958070	0	47	-1.0	-57.14	357.01	6.32	-50.82
CC1=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=NN1C(C)C	REAL300010958071	0	51	-1.0	-44.82	384.53	5.73	-39.09
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=CC(C3CC3(F)F)=C1)C2	REAL300010958072	0	49	-1.0	-48.30	383.40	8.15	-40.15
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C2	REAL300010958073	0	44	-1.0	-59.07	354.07	5.41	-53.66
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300010958074	0	42	-1.0	-44.23	344.75	6.33	-37.90
CC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=C1NCCC2	REAL300010958075	0	54	-1.0	-47.46	391.12	6.82	-40.64
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=C(C3CC3(F)F)C=C1)C2	REAL300010958076	0	49	-1.0	-45.49	389.51	8.05	-37.44
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CNC3=CC(Cl)=CC=C31)C2	REAL300010958077	0	46	-1.0	-51.08	373.64	6.42	-44.66
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCOCC1(C)C)C2	REAL300010958078	0	50	-1.0	-48.37	346.26	7.33	-41.04
C[C@@H]1CN(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C[C@H](C)O1	REAL300010958079	0	50	-1.0	-49.78	355.44	7.51	-42.27
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=CC(O)=C1)C2	REAL300010958080	0	43	-1.0	-49.67	334.61	3.12	-46.55
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NC=CC3=CC=CC=C31)C2	REAL300010958081	0	47	-1.0	-53.79	361.31	6.50	-47.29
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958082	0	51	-1.0	-46.70	389.97	7.76	-38.94
CC1=CN=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1	REAL300010958083	0	47	-1.0	-68.48	356.71	5.75	-62.73
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C2	REAL300010958084	0	45	-1.0	-50.59	354.17	6.72	-43.87
CC1=CN=CC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958085	0	44	-1.0	-43.67	333.75	5.05	-38.62
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CSN=C1)C2	REAL300010958086	0	38	-1.0	-53.84	310.48	3.90	-49.94
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C2	REAL300010958087	0	44	-1.0	-51.07	346.28	5.50	-45.57
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958088	0	50	-1.0	-54.85	378.39	1.42	-53.43
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CC3CCC(C1)O3)C2	REAL300010958089	0	49	-1.0	-58.53	355.23	4.37	-54.16
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC(C#N)CC1)C2	REAL300010958090	0	48	-1.0	-52.92	361.45	5.08	-47.84
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NN(C3CC3(F)F)C=C1)C2	REAL300010958091	0	46	-1.0	-72.25	372.09	5.42	-66.83
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300010958092	0	46	-1.0	-58.00	361.47	7.43	-50.57
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C2	REAL300010958093	0	46	-1.0	-57.52	371.79	7.88	-49.64
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C2	REAL300010958094	0	51	-1.0	-54.63	403.72	5.55	-49.08
COC1=CC=NC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958095	0	45	-1.0	-53.97	349.04	3.39	-50.58
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C2	REAL300010958096	0	49	-1.0	-43.41	378.49	8.32	-35.09
C=CCN(CC=C)S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958097	0	48	-1.0	-44.73	366.75	5.93	-38.80
COC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)N=C1	REAL300010958098	0	45	-1.0	-53.95	348.95	3.34	-50.61
CC1=CC=CN=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958099	0	44	-1.0	-48.82	335.64	4.91	-43.91
COC(=O)C1=CC=NC=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958100	0	47	-1.0	-48.95	360.79	5.62	-43.33
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958101	0	48	-1.0	-70.93	378.07	7.73	-63.20
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC=NC3=CC=CC=C31)C2	REAL300010958102	0	47	-1.0	-48.01	359.41	6.37	-41.64
CCOC1=CC=CN=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958103	0	48	-1.0	-55.11	366.84	5.44	-49.67
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCC3=CC=CC=C3C1)C2	REAL300010958104	0	50	-1.0	-50.91	360.10	10.99	-39.92
CC1=CC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=NC=CC=C12	REAL300010958105	0	50	-1.0	-57.62	373.94	7.75	-49.87
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CC3CCC1C3)C2	REAL300010958106	0	47	-1.0	-51.57	331.10	9.03	-42.54
CC1=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=CC=N1	REAL300010958107	0	44	-1.0	-55.34	341.63	5.13	-50.21
CC1=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=CC(C)=N1	REAL300010958108	0	47	-1.0	-49.39	362.00	5.42	-43.97
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC(F)(F)C1)C2	REAL300010958109	0	44	-1.0	-58.27	340.32	4.72	-53.55
CN(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1=CC=CC=C1	REAL300010958110	0	46	-1.0	-73.82	345.46	9.70	-64.12
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CC3=CC=CC=C3C1)C2	REAL300010958111	0	47	-1.0	-66.68	348.00	9.78	-56.90
CN(CCC1=CC=CC=C1)C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958112	0	52	-1.0	-51.08	385.19	11.31	-39.77
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300010958113	0	49	-1.0	-52.47	359.43	9.42	-43.05
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300010958114	0	53	-1.0	-54.85	367.77	9.82	-45.03
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCC[C@@H]3CCCC[C@@H]31)C2	REAL300010958115	0	56	-1.0	-48.68	365.14	10.58	-38.10
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCC(F)(F)C1)C2	REAL300010958116	0	43	-1.0	-49.05	319.39	8.15	-40.90
CC1=CC(Cl)=CN=C1S(=O)(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958117	0	44	-1.0	-63.93	352.01	5.61	-58.32
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NC=CC=C1C(F)F)C2	REAL300010958118	0	44	-1.0	-53.40	341.76	5.47	-47.93
CC1=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C=C(Cl)S1	REAL300010958119	0	42	-1.0	-39.50	348.60	6.42	-33.08
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CN=CS1)C2	REAL300010958120	0	38	-1.0	-48.48	310.93	3.12	-45.36
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C2	REAL300010958121	0	44	-1.0	-54.90	353.16	4.97	-49.93
CC1CCCCN1C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958122	0	49	-1.0	-49.79	336.54	9.05	-40.74
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1C[C@H]3CC[C@@](C)(C1)C3(C)C)C2	REAL300010958123	0	59	-1.0	-53.30	392.55	11.53	-41.77
CO[C@H]1CCN(C(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300010958124	0	47	-1.0	-50.88	339.17	6.69	-44.19
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958125	0	55	-1.0	-47.89	411.00	7.98	-39.91
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCCCCC1)C2	REAL300010958126	0	49	-1.0	-72.11	338.97	9.24	-62.87
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCC(C)(C)CC1)C2	REAL300010958127	0	52	-1.0	-51.57	355.86	9.74	-41.83
CCN(C(=O)NC1CC2CCC1(C(=O)[O-])C2(C)C)C1=CC=CC=C1	REAL300010958128	0	49	-1.0	-71.01	366.48	10.64	-60.37
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCCC3=CC=CC=C31)C2	REAL300010958129	0	50	-1.0	-52.29	355.20	10.86	-41.43
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)N1CCOC(C3CC3)C1)C2	REAL300010958130	0	51	-1.0	-62.93	368.46	7.88	-55.05
CC1=CC=C(O)C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958131	0	46	-1.0	-50.77	355.06	4.35	-46.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010958132	0	35	-1.0	-49.61	310.40	7.21	-42.40
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010958133	0	29	-1.0	-52.41	275.46	5.02	-47.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300010958134	0	29	-1.0	-44.30	270.55	5.19	-39.11
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958135	0	41	-1.0	-50.02	306.28	7.33	-42.69
COC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958136	0	35	-1.0	-52.92	304.12	6.18	-46.74
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958137	0	38	-1.0	-54.67	334.13	5.83	-48.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010958138	0	29	-1.0	-43.36	283.35	5.46	-37.90
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958139	0	35	-1.0	-57.02	311.73	5.17	-51.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300010958140	0	41	-1.0	-56.05	333.72	6.56	-49.49
CCC(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958141	0	41	-1.0	-56.13	336.20	6.83	-49.30
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958142	0	46	-1.0	-57.48	394.28	3.95	-53.53
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958143	0	40	-1.0	-57.94	353.09	2.24	-55.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010958144	0	33	-1.0	-55.16	292.01	1.24	-53.92
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958145	0	39	-1.0	-60.15	339.70	3.26	-56.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010958146	0	31	-1.0	-40.06	295.65	5.71	-34.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010958147	0	29	-1.0	-60.41	274.34	5.91	-54.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010958148	0	29	-1.0	-41.45	288.72	5.66	-35.79
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300010958149	0	33	-1.0	-52.37	306.17	4.38	-47.99
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958150	0	40	-1.0	-60.63	340.56	3.48	-57.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010958151	0	29	-1.0	-42.57	274.59	4.72	-37.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010958152	0	29	-1.0	-49.00	288.93	5.40	-43.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010958153	0	35	-1.0	-48.67	333.26	6.40	-42.27
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C(=O)OC)=C1	REAL300010958154	0	41	-1.0	-55.74	364.98	5.69	-50.05
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958155	0	41	-1.0	-58.47	358.91	6.84	-51.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010958156	0	29	-1.0	-43.07	278.74	5.12	-37.95
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010958157	0	32	-1.0	-41.33	302.45	6.40	-34.93
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300010958158	0	32	-1.0	-50.65	295.76	5.60	-45.05
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1NC(C)=O	REAL300010958159	0	40	-1.0	-62.68	341.28	2.76	-59.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010958160	0	33	-1.0	-53.60	303.49	4.03	-49.57
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1C	REAL300010958161	0	44	-1.0	-48.73	331.22	7.64	-41.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010958162	0	38	-1.0	-53.04	319.05	4.37	-48.67
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958163	0	34	-1.0	-53.72	300.80	5.63	-48.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)S1	REAL300010958164	0	26	-1.0	-41.58	274.08	4.46	-37.12
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Cl	REAL300010958165	0	35	-1.0	-43.67	312.51	6.82	-36.85
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958166	0	33	-1.0	-48.30	305.53	5.22	-43.08
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958167	0	47	-1.0	-46.83	356.73	8.27	-38.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010958168	0	45	-1.0	-55.86	359.36	8.04	-47.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010958169	0	32	-1.0	-44.09	301.98	5.62	-38.47
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010958170	0	39	-1.0	-53.46	318.80	6.82	-46.64
COC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958171	0	37	-1.0	-52.53	313.70	3.88	-48.65
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958172	0	37	-1.0	-53.83	314.99	3.61	-50.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010958173	0	39	-1.0	-57.00	354.74	3.82	-53.18
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958174	0	36	-1.0	-47.82	336.54	2.88	-44.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010958175	0	37	-1.0	-56.78	314.60	6.73	-50.05
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958176	0	39	-1.0	-61.05	328.05	4.29	-56.76
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010958177	0	26	-1.0	-41.43	276.95	4.63	-36.80
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958178	0	44	-1.0	-56.44	360.98	7.74	-48.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010958179	0	35	-1.0	-51.33	294.07	6.66	-44.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010958180	0	39	-1.0	-57.07	331.68	7.65	-49.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010958181	0	32	-1.0	-40.83	306.18	6.04	-34.79
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010958182	0	29	-1.0	-41.30	298.48	6.41	-34.89
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958183	0	44	-1.0	-56.00	347.95	7.03	-48.97
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958184	0	32	-1.0	-52.68	291.72	5.52	-47.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010958185	0	29	-1.0	-40.68	279.47	4.91	-35.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010958186	0	29	-1.0	-41.75	289.58	5.33	-36.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010958187	0	32	-1.0	-44.82	300.76	5.61	-39.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010958188	0	29	-1.0	-40.64	290.68	5.29	-35.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010958189	0	29	-1.0	-40.76	276.38	4.75	-36.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010958190	0	32	-1.0	-49.60	300.58	5.47	-44.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010958191	0	34	-1.0	-55.12	296.38	5.67	-49.45
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010958192	0	32	-1.0	-41.11	292.11	5.95	-35.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010958193	0	40	-1.0	-55.81	363.20	7.66	-48.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010958194	0	29	-1.0	-45.00	279.87	5.14	-39.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010958195	0	29	-1.0	-40.59	276.95	5.26	-35.33
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958196	0	35	-1.0	-44.56	312.45	5.27	-39.29
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958197	0	33	-1.0	-52.71	291.98	3.78	-48.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010958198	0	29	-1.0	-44.20	276.50	5.05	-39.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010958199	0	29	-1.0	-49.20	283.26	5.08	-44.12
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300010958200	0	44	-1.0	-48.04	381.44	6.76	-41.28
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958201	0	36	-1.0	-55.37	326.31	3.96	-51.41
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010958202	0	45	-1.0	-51.65	362.17	7.58	-44.07
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Cl	REAL300010958203	0	32	-1.0	-46.83	302.30	6.62	-40.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010958204	0	32	-1.0	-59.25	315.44	6.11	-53.14
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010958205	0	39	-1.0	-51.67	322.39	6.02	-45.65
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010958206	0	36	-1.0	-53.68	307.66	1.88	-51.80
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010958207	0	37	-1.0	-56.13	318.09	1.80	-54.33
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958208	0	34	-1.0	-41.89	296.99	5.88	-36.01
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958209	0	36	-1.0	-51.44	318.05	3.49	-47.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958210	0	34	-1.0	-52.71	289.42	5.32	-47.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958211	0	35	-1.0	-51.93	327.72	5.59	-46.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010958212	0	38	-1.0	-69.77	342.54	2.45	-67.32
CC(=O)NC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300010958213	0	36	-1.0	-59.06	317.68	3.44	-55.62
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C21	REAL300010958214	0	43	-1.0	-66.93	349.19	5.90	-61.03
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1C	REAL300010958215	0	39	-1.0	-47.02	318.88	5.28	-41.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010958216	0	29	-1.0	-45.02	280.94	5.41	-39.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010958217	0	40	-1.0	-53.61	339.54	3.92	-49.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010958218	0	32	-1.0	-42.74	306.72	6.09	-36.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010958219	0	29	-1.0	-49.07	292.38	5.49	-43.58
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958220	0	42	-1.0	-65.64	361.21	4.03	-61.61
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958221	0	43	-1.0	-54.97	366.41	3.61	-51.36
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958222	0	37	-1.0	-51.51	319.11	6.98	-44.53
CC(C)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958223	0	41	-1.0	-56.51	338.68	6.92	-49.59
COCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958224	0	39	-1.0	-56.75	334.09	4.75	-52.00
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958225	0	32	-1.0	-46.44	290.86	5.89	-40.55
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958226	0	45	-1.0	-55.17	369.42	6.56	-48.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010958227	0	43	-1.0	-55.66	351.54	6.43	-49.23
CC(C)COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958228	0	42	-1.0	-55.32	350.46	5.96	-49.36
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958229	0	39	-1.0	-52.69	329.06	5.45	-47.24
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958230	0	33	-1.0	-52.37	301.78	4.27	-48.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010958231	0	33	-1.0	-52.25	311.51	4.56	-47.69
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300010958232	0	42	-1.0	-52.63	345.58	6.01	-46.62
COCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958233	0	40	-1.0	-57.88	342.49	3.73	-54.15
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958234	0	40	-1.0	-60.77	346.97	4.09	-56.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010958235	0	44	-1.0	-45.02	368.08	4.09	-40.93
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Br)=C1	REAL300010958236	0	32	-1.0	-44.61	291.96	5.86	-38.75
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010958237	0	35	-1.0	-47.17	331.51	2.75	-44.42
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958238	0	35	-1.0	-51.03	320.98	6.70	-44.33
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010958239	0	34	-1.0	-55.34	296.40	4.77	-50.57
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958240	0	35	-1.0	-51.70	332.29	5.70	-46.00
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958241	0	33	-1.0	-49.03	298.85	5.18	-43.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010958242	0	33	-1.0	-41.38	314.63	5.99	-35.39
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958243	0	46	-1.0	-61.87	395.54	3.42	-58.45
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OC	REAL300010958244	0	39	-1.0	-55.01	338.28	5.13	-49.88
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958245	0	38	-1.0	-51.84	327.04	5.63	-46.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010958246	0	38	-1.0	-62.95	326.18	4.31	-58.64
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300010958247	0	38	-1.0	-53.50	336.06	5.84	-47.66
CCN1N=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958248	0	38	-1.0	-51.15	318.94	4.65	-46.50
CC(C)CN1C=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958249	0	38	-1.0	-60.38	323.06	6.06	-54.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010958250	0	41	-1.0	-46.73	312.81	7.36	-39.37
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010958251	0	42	-1.0	-54.31	357.27	7.26	-47.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010958252	0	37	-1.0	-64.67	321.77	3.74	-60.93
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1Cl	REAL300010958253	0	36	-1.0	-51.52	338.28	4.53	-46.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010958254	0	36	-1.0	-58.29	322.21	5.63	-52.66
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300010958255	0	35	-1.0	-47.96	324.24	5.32	-42.64
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010958256	0	33	-1.0	-43.13	314.73	5.03	-38.10
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010958257	0	39	-1.0	-48.60	349.28	6.63	-41.97
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(Br)O1	REAL300010958258	0	32	-1.0	-44.80	315.00	3.92	-40.88
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C(Br)S1	REAL300010958259	0	29	-1.0	-44.30	282.01	4.94	-39.36
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1	REAL300010958260	0	33	-1.0	-56.53	299.40	2.76	-53.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010958261	0	30	-1.0	-50.72	292.49	5.22	-45.50
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958262	0	37	-1.0	-58.95	305.87	7.56	-51.39
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958263	0	35	-1.0	-51.36	325.55	5.90	-45.46
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958264	0	38	-1.0	-58.23	329.38	2.73	-55.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010958265	0	33	-1.0	-39.17	305.23	6.36	-32.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010958266	0	30	-1.0	-51.09	292.43	5.23	-45.86
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958267	0	45	-1.0	-56.87	368.72	5.95	-50.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010958268	0	40	-1.0	-63.05	344.28	4.40	-58.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010958269	0	41	-1.0	-51.64	372.26	2.47	-49.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958270	0	37	-1.0	-58.59	334.13	0.41	-58.18
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958271	0	39	-1.0	-51.78	357.73	3.64	-48.14
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)O1	REAL300010958272	0	32	-1.0	-50.55	295.44	3.23	-47.32
COC(=O)C1=C(C)OC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958273	0	35	-1.0	-50.10	315.42	4.04	-46.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010958274	0	31	-1.0	-55.68	273.33	6.33	-49.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010958275	0	32	-1.0	-41.65	318.88	6.48	-35.17
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C)N1	REAL300010958276	0	42	-1.0	-44.74	354.94	5.35	-39.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010958277	0	29	-1.0	-49.49	277.28	5.51	-43.98
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)S2)=CS1	REAL300010958278	0	35	-1.0	-49.26	339.94	5.29	-43.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010958279	0	49	-1.0	-55.15	392.08	7.85	-47.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010958280	0	39	-1.0	-58.82	353.48	4.01	-54.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(I)=C1	REAL300010958281	0	29	-1.0	-52.10	281.93	5.50	-46.60
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958282	0	38	-1.0	-50.23	323.48	5.85	-44.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010958283	0	31	-1.0	-44.51	294.36	6.72	-37.79
COC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958284	0	37	-1.0	-47.77	320.68	3.81	-43.96
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958285	0	40	-1.0	-48.51	329.71	4.47	-44.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010958286	0	31	-1.0	-47.44	299.09	6.94	-40.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010958287	0	32	-1.0	-49.11	300.03	5.63	-43.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010958288	0	30	-1.0	-42.19	292.30	5.49	-36.70
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Br)=C1	REAL300010958289	0	35	-1.0	-42.91	325.27	5.84	-37.07
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300010958290	0	32	-1.0	-52.68	295.75	5.60	-47.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010958291	0	33	-1.0	-44.24	310.22	2.17	-42.07
COC(=O)CN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958292	0	35	-1.0	-60.23	315.27	3.17	-57.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010958293	0	35	-1.0	-48.12	308.44	7.09	-41.03
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010958294	0	34	-1.0	-37.46	312.78	6.66	-30.80
CC1=C(Br)SC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958295	0	29	-1.0	-42.23	293.69	5.04	-37.19
CC1=C(Br)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958296	0	34	-1.0	-49.86	319.27	6.09	-43.77
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(F)=C1F	REAL300010958297	0	35	-1.0	-49.37	321.81	5.17	-44.20
CC1=NC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300010958298	0	37	-1.0	-55.93	317.51	6.37	-49.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010958299	0	40	-1.0	-53.68	334.48	2.91	-50.77
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Br	REAL300010958300	0	32	-1.0	-44.88	289.57	5.71	-39.17
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958301	0	35	-1.0	-68.31	319.45	5.42	-62.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010958302	0	37	-1.0	-53.40	314.40	2.18	-51.22
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010958303	0	35	-1.0	-50.65	311.75	5.18	-45.47
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958304	0	35	-1.0	-44.91	307.42	6.20	-38.71
COCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958305	0	36	-1.0	-53.26	315.67	2.02	-51.24
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300010958306	0	35	-1.0	-50.96	327.32	5.54	-45.42
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010958307	0	42	-1.0	-50.38	349.20	7.24	-43.14
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958308	0	39	-1.0	-50.41	327.01	6.17	-44.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010958309	0	34	-1.0	-65.92	302.44	4.58	-61.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010958310	0	36	-1.0	-54.06	317.88	5.49	-48.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010958311	0	43	-1.0	-61.37	375.96	6.30	-55.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010958312	0	31	-1.0	-52.42	300.63	5.56	-46.86
CCOCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958313	0	43	-1.0	-57.76	364.34	4.70	-53.06
CCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958314	0	45	-1.0	-55.26	373.36	6.82	-48.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010958315	0	31	-1.0	-47.56	286.59	6.47	-41.09
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300010958316	0	35	-1.0	-52.23	315.60	5.09	-47.14
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300010958317	0	35	-1.0	-42.48	335.44	6.05	-36.43
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958318	0	39	-1.0	-54.57	338.89	5.26	-49.31
COC(=O)C1=CSC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958319	0	32	-1.0	-51.68	309.99	4.38	-47.30
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958320	0	41	-1.0	-54.78	345.89	6.56	-48.22
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C	REAL300010958321	0	38	-1.0	-53.53	327.08	5.62	-47.91
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958322	0	35	-1.0	-50.22	316.75	5.25	-44.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010958323	0	39	-1.0	-54.98	301.58	7.24	-47.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010958324	0	35	-1.0	-59.81	308.13	6.24	-53.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010958325	0	28	-1.0	-49.05	272.57	3.25	-45.80
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010958326	0	33	-1.0	-54.20	313.88	5.70	-48.50
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958327	0	43	-1.0	-54.26	367.44	2.36	-51.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010958328	0	29	-1.0	-49.29	283.27	5.08	-44.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010958329	0	36	-1.0	-66.85	320.86	2.29	-64.56
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958330	0	32	-1.0	-54.48	287.10	5.40	-49.08
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300010958331	0	33	-1.0	-50.53	306.14	4.40	-46.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010958332	0	40	-1.0	-52.86	333.71	5.69	-47.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010958333	0	37	-1.0	-56.43	336.12	1.14	-55.29
CCC(=O)NCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OC	REAL300010958334	0	46	-1.0	-57.71	387.17	3.57	-54.14
COC1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958335	0	33	-1.0	-48.65	304.12	4.66	-43.99
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958336	0	38	-1.0	-67.02	334.02	3.25	-63.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010958337	0	31	-1.0	-49.94	304.48	4.34	-45.60
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958338	0	34	-1.0	-55.82	312.01	5.64	-50.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010958339	0	30	-1.0	-50.71	298.32	5.43	-45.28
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300010958340	0	36	-1.0	-51.86	327.99	5.32	-46.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010958341	0	34	-1.0	-52.26	306.92	-0.10	-52.36
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010958342	0	43	-1.0	-52.22	369.24	6.38	-45.84
COC(=O)CC1(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300010958343	0	38	-1.0	-55.50	320.87	5.00	-50.50
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958344	0	34	-1.0	-45.32	317.03	4.81	-40.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010958345	0	37	-1.0	-67.80	323.71	5.63	-62.17
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958346	0	45	-1.0	-66.30	393.96	2.91	-63.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010958347	0	35	-1.0	-64.45	297.19	0.80	-63.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010958348	0	39	-1.0	-55.75	336.07	5.34	-50.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010958349	0	34	-1.0	-45.68	311.51	4.80	-40.88
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1	REAL300010958350	0	39	-1.0	-45.92	325.45	5.60	-40.32
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958351	0	37	-1.0	-63.71	328.45	1.00	-62.71
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958352	0	38	-1.0	-70.67	332.03	6.18	-64.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010958353	0	33	-1.0	-49.89	293.99	4.86	-45.03
CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958354	0	33	-1.0	-55.51	297.71	5.26	-50.25
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958355	0	41	-1.0	-54.47	355.63	6.62	-47.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010958356	0	35	-1.0	-48.17	318.99	4.51	-43.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010958357	0	35	-1.0	-46.10	324.14	6.46	-39.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010958358	0	28	-1.0	-42.86	279.45	3.61	-39.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010958359	0	35	-1.0	-50.17	300.70	4.36	-45.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010958360	0	34	-1.0	-49.27	292.48	4.89	-44.38
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958361	0	32	-1.0	-46.07	295.43	6.00	-40.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010958362	0	37	-1.0	-55.25	314.01	3.58	-51.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010958363	0	45	-1.0	-60.67	372.63	5.17	-55.50
COC1=CC(Br)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958364	0	37	-1.0	-45.33	330.29	4.47	-40.86
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OCC	REAL300010958365	0	43	-1.0	-53.26	358.70	5.46	-47.80
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010958366	0	35	-1.0	-48.43	304.94	3.49	-44.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010958367	0	34	-1.0	-59.56	311.70	-0.80	-60.36
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010958368	0	40	-1.0	-64.28	335.30	5.35	-58.93
CC(=O)N1CCCC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300010958369	0	43	-1.0	-61.05	349.79	5.99	-55.06
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958370	0	37	-1.0	-51.54	319.42	6.61	-44.93
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958371	0	35	-1.0	-55.06	312.27	4.90	-50.16
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300010958372	0	40	-1.0	-61.20	336.83	5.54	-55.66
CNC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958373	0	36	-1.0	-58.27	313.94	2.51	-55.76
CC(=O)N1C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2CC1C	REAL300010958374	0	43	-1.0	-59.98	351.82	5.96	-54.02
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=CS1	REAL300010958375	0	32	-1.0	-50.59	300.12	4.82	-45.77
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958376	0	32	-1.0	-44.66	308.35	4.48	-40.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010958377	0	33	-1.0	-51.17	312.90	5.60	-45.57
CCOC(=O)C1=CNN=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958378	0	35	-1.0	-63.16	308.55	3.01	-60.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010958379	0	35	-1.0	-58.27	312.75	1.42	-56.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010958380	0	35	-1.0	-54.46	306.93	1.65	-52.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010958381	0	35	-1.0	-44.58	321.45	2.46	-42.12
CC1=CC2=CC=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C2N=C1	REAL300010958382	0	37	-1.0	-54.24	319.21	6.30	-47.94
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300010958383	0	35	-1.0	-47.78	307.07	5.50	-42.28
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958384	0	33	-1.0	-46.25	300.96	5.12	-41.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010958385	0	33	-1.0	-45.95	300.73	5.08	-40.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010958386	0	34	-1.0	-64.72	306.04	-0.21	-64.93
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958387	0	35	-1.0	-58.15	308.96	5.06	-53.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010958388	0	41	-1.0	-61.72	360.96	2.68	-59.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010958389	0	34	-1.0	-42.35	313.64	6.14	-36.21
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Cl)=C1	REAL300010958390	0	32	-1.0	-45.43	288.84	5.71	-39.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010958391	0	35	-1.0	-58.99	311.72	0.81	-58.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010958392	0	35	-1.0	-59.15	316.93	1.95	-57.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010958393	0	36	-1.0	-53.96	321.06	3.64	-50.32
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300010958394	0	37	-1.0	-50.96	310.26	5.62	-45.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010958395	0	35	-1.0	-56.98	310.39	4.37	-52.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010958396	0	34	-1.0	-54.56	303.16	5.89	-48.67
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958397	0	37	-1.0	-51.32	316.52	7.43	-43.89
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958398	0	33	-1.0	-42.84	317.01	6.32	-36.52
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010958399	0	33	-1.0	-50.78	302.23	4.22	-46.56
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958400	0	40	-1.0	-58.37	351.76	2.41	-55.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010958401	0	29	-1.0	-41.23	273.82	5.11	-36.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010958402	0	31	-1.0	-48.31	294.36	6.72	-41.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010958403	0	41	-1.0	-63.43	343.18	3.72	-59.71
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010958404	0	39	-1.0	-51.26	330.48	8.44	-42.82
CCOC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958405	0	38	-1.0	-57.77	330.82	5.99	-51.78
CCOC(=O)N1CCC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300010958406	0	43	-1.0	-64.46	351.67	4.32	-60.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010958407	0	29	-1.0	-53.49	278.81	4.86	-48.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010958408	0	31	-1.0	-52.51	285.73	4.91	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010958409	0	35	-1.0	-54.53	302.20	6.71	-47.82
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958410	0	36	-1.0	-61.97	313.85	3.13	-58.84
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958411	0	34	-1.0	-47.33	296.91	5.87	-41.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010958412	0	31	-1.0	-51.23	277.68	6.20	-45.03
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958413	0	36	-1.0	-48.17	326.89	6.13	-42.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010958414	0	35	-1.0	-54.05	300.76	3.57	-50.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958415	0	44	-1.0	-47.34	344.89	7.53	-39.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010958416	0	29	-1.0	-49.24	288.17	5.39	-43.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010958417	0	29	-1.0	-44.16	287.53	5.74	-38.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010958418	0	32	-1.0	-53.07	292.89	5.40	-47.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010958419	0	32	-1.0	-44.55	284.56	5.98	-38.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010958420	0	32	-1.0	-50.38	308.12	5.86	-44.52
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010958421	0	32	-1.0	-44.81	309.54	6.23	-38.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010958422	0	29	-1.0	-49.34	278.85	4.98	-44.36
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=CO1	REAL300010958423	0	38	-1.0	-54.34	338.32	3.77	-50.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010958424	0	28	-1.0	-46.86	283.35	3.48	-43.38
COC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958425	0	33	-1.0	-48.90	300.34	4.53	-44.37
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300010958426	0	38	-1.0	-49.42	344.24	7.26	-42.16
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958427	0	38	-1.0	-62.56	334.48	5.68	-56.88
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=N2)C=C1	REAL300010958428	0	39	-1.0	-53.30	337.89	6.19	-47.11
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C21	REAL300010958429	0	40	-1.0	-68.47	335.38	5.49	-62.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010958430	0	30	-1.0	-44.28	287.58	5.20	-39.08
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)N(C)C	REAL300010958431	0	43	-1.0	-56.63	361.12	3.73	-52.90
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300010958432	0	37	-1.0	-53.14	327.47	5.82	-47.32
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010958433	0	34	-1.0	-49.67	300.24	5.60	-44.07
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300010958434	0	43	-1.0	-49.69	371.85	6.97	-42.72
COC(=O)C1=COC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958435	0	32	-1.0	-54.52	297.12	3.15	-51.37
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958436	0	40	-1.0	-57.99	344.99	5.10	-52.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010958437	0	31	-1.0	-52.08	287.44	3.87	-48.21
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958438	0	39	-1.0	-58.46	322.98	4.62	-53.84
CC(=O)NC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C	REAL300010958439	0	39	-1.0	-66.24	329.77	4.17	-62.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010958440	0	41	-1.0	-54.71	330.37	4.98	-49.73
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN=C1Cl	REAL300010958441	0	31	-1.0	-50.42	284.47	3.92	-46.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010958442	0	35	-1.0	-55.90	307.54	3.49	-52.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010958443	0	38	-1.0	-46.01	333.49	6.37	-39.64
COC1=CC(OC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958444	0	37	-1.0	-54.98	314.45	2.98	-52.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010958445	0	35	-1.0	-59.13	304.56	5.78	-53.35
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1CC	REAL300010958446	0	41	-1.0	-53.65	333.31	6.98	-46.67
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958447	0	37	-1.0	-42.41	308.74	6.61	-35.80
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C)O1	REAL300010958448	0	35	-1.0	-54.80	324.13	3.98	-50.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010958449	0	30	-1.0	-39.83	275.89	2.75	-37.08
COC(=O)C1=NSC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958450	0	31	-1.0	-46.70	295.15	3.33	-43.37
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C)=C1F	REAL300010958451	0	35	-1.0	-44.64	307.51	6.06	-38.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010958452	0	37	-1.0	-61.97	315.85	2.86	-59.11
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300010958453	0	36	-1.0	-57.61	318.46	4.47	-53.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010958454	0	29	-1.0	-48.88	279.35	5.01	-43.87
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958455	0	40	-1.0	-56.00	339.95	6.06	-49.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010958456	0	32	-1.0	-59.80	306.12	5.70	-54.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010958457	0	34	-1.0	-56.62	299.60	0.53	-56.09
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958458	0	32	-1.0	-42.70	285.48	5.72	-36.98
CNC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300010958459	0	37	-1.0	-56.48	321.54	2.02	-54.46
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1	REAL300010958460	0	39	-1.0	-47.49	309.94	5.24	-42.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010958461	0	37	-1.0	-47.25	327.24	4.22	-43.03
COC(=O)C1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958462	0	38	-1.0	-44.60	340.23	6.14	-38.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010958463	0	40	-1.0	-55.85	331.70	4.57	-51.28
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958464	0	38	-1.0	-52.40	340.22	6.12	-46.28
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)O1	REAL300010958465	0	35	-1.0	-50.61	318.76	4.12	-46.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010958466	0	40	-1.0	-54.04	340.43	8.55	-45.49
COC(=O)COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958467	0	39	-1.0	-60.38	343.37	5.16	-55.22
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958468	0	42	-1.0	-59.37	364.32	5.31	-54.06
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958469	0	39	-1.0	-47.89	323.65	5.42	-42.47
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010958470	0	33	-1.0	-59.47	294.64	4.79	-54.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010958471	0	32	-1.0	-47.06	287.44	6.09	-40.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010958472	0	31	-1.0	-44.40	298.91	6.83	-37.57
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958473	0	34	-1.0	-58.29	277.00	6.87	-51.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010958474	0	31	-1.0	-39.63	298.77	5.86	-33.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Br)C=CS1	REAL300010958475	0	26	-1.0	-44.03	270.13	4.47	-39.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010958476	0	33	-1.0	-48.97	286.72	5.18	-43.79
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300010958477	0	37	-1.0	-56.34	302.26	5.07	-51.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010958478	0	31	-1.0	-57.32	290.10	3.72	-53.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010958479	0	37	-1.0	-52.91	321.06	3.76	-49.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010958480	0	34	-1.0	-49.04	292.56	5.02	-44.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010958481	0	28	-1.0	-41.82	284.68	3.74	-38.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010958482	0	31	-1.0	-41.28	290.23	5.27	-36.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010958483	0	31	-1.0	-48.42	300.66	5.54	-42.88
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958484	0	38	-1.0	-60.27	341.60	2.85	-57.42
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010958485	0	34	-1.0	-46.11	312.07	5.38	-40.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010958486	0	31	-1.0	-72.88	294.75	5.70	-67.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010958487	0	31	-1.0	-48.41	290.85	5.17	-43.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010958488	0	36	-1.0	-57.08	328.42	4.92	-52.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010958489	0	31	-1.0	-47.98	298.93	6.83	-41.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010958490	0	43	-1.0	-54.15	367.47	7.71	-46.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010958491	0	37	-1.0	-52.41	335.53	1.31	-51.10
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958492	0	37	-1.0	-62.39	317.25	5.68	-56.71
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=C(Cl)N=C2C=C1	REAL300010958493	0	38	-1.0	-49.56	336.24	5.61	-43.95
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010958494	0	39	-1.0	-55.23	343.30	5.93	-49.30
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958495	0	35	-1.0	-51.08	329.29	6.02	-45.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010958496	0	37	-1.0	-62.88	331.07	0.94	-61.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010958497	0	35	-1.0	-59.31	321.35	1.96	-57.35
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1F	REAL300010958498	0	32	-1.0	-42.80	290.42	5.34	-37.46
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958499	0	36	-1.0	-49.17	323.69	5.76	-43.41
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300010958500	0	41	-1.0	-54.32	346.91	5.96	-48.36
CC1=CN(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2F)N=C1	REAL300010958501	0	39	-1.0	-57.45	340.87	6.44	-51.01
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958502	0	36	-1.0	-47.78	336.41	4.54	-43.24
CCS(=O)(=O)NCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958503	0	36	-1.0	-47.92	325.50	-0.51	-48.43
CC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958504	0	32	-1.0	-45.68	289.30	5.37	-40.31
CC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958505	0	34	-1.0	-48.49	315.16	6.41	-42.08
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300010958506	0	35	-1.0	-50.09	309.77	5.65	-44.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010958507	0	26	-1.0	-41.47	281.59	4.73	-36.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010958508	0	41	-1.0	-56.01	349.26	6.44	-49.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010958509	0	29	-1.0	-44.79	283.32	5.23	-39.56
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010958510	0	35	-1.0	-53.10	310.68	5.94	-47.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010958511	0	35	-1.0	-55.08	329.69	5.63	-49.45
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300010958512	0	37	-1.0	-51.88	322.57	4.15	-47.73
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958513	0	36	-1.0	-57.25	323.28	4.96	-52.29
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010958514	0	32	-1.0	-60.98	310.12	5.80	-55.18
CC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300010958515	0	33	-1.0	-51.43	295.21	1.37	-50.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010958516	0	38	-1.0	-58.93	339.06	7.08	-51.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010958517	0	31	-1.0	-47.45	302.78	6.02	-41.43
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958518	0	35	-1.0	-52.17	310.65	6.24	-45.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010958519	0	32	-1.0	-60.77	296.99	5.58	-55.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010958520	0	41	-1.0	-70.83	354.10	2.74	-68.09
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CN=C2S1	REAL300010958521	0	43	-1.0	-50.58	380.64	6.00	-44.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010958522	0	36	-1.0	-43.03	331.42	5.26	-37.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010958523	0	29	-1.0	-43.81	292.08	5.85	-37.96
COC1=CC(OC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300010958524	0	37	-1.0	-49.55	335.32	4.49	-45.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010958525	0	37	-1.0	-52.38	324.80	1.87	-50.51
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300010958526	0	38	-1.0	-51.88	337.40	6.02	-45.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010958527	0	37	-1.0	-51.05	322.06	5.36	-45.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010958528	0	32	-1.0	-45.37	317.57	6.64	-38.73
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300010958529	0	35	-1.0	-44.07	323.68	7.43	-36.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010958530	0	32	-1.0	-45.96	307.64	6.36	-39.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010958531	0	35	-1.0	-51.03	308.53	7.57	-43.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010958532	0	35	-1.0	-50.02	315.73	7.48	-42.54
COC1=CC(Br)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958533	0	33	-1.0	-44.93	320.02	5.20	-39.73
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300010958534	0	43	-1.0	-55.60	369.74	6.68	-48.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010958535	0	35	-1.0	-56.06	321.34	1.95	-54.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010958536	0	42	-1.0	-61.20	364.92	5.80	-55.40
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010958537	0	40	-1.0	-47.39	361.65	1.81	-45.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010958538	0	30	-1.0	-43.94	290.85	5.38	-38.56
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1N(C)C	REAL300010958539	0	40	-1.0	-53.37	330.83	5.09	-48.28
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958540	0	34	-1.0	-48.64	314.76	6.41	-42.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010958541	0	32	-1.0	-47.31	296.88	5.21	-42.10
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958542	0	35	-1.0	-47.83	321.37	6.70	-41.13
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958543	0	41	-1.0	-51.66	336.05	5.12	-46.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010958544	0	35	-1.0	-67.12	312.52	2.35	-64.77
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300010958545	0	45	-1.0	-58.27	375.89	2.09	-56.18
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958546	0	37	-1.0	-55.62	317.29	6.45	-49.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010958547	0	44	-1.0	-65.71	373.94	3.97	-61.74
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958548	0	39	-1.0	-61.75	334.16	3.94	-57.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010958549	0	32	-1.0	-61.29	305.84	5.63	-55.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010958550	0	30	-1.0	-48.78	275.34	5.36	-43.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010958551	0	29	-1.0	-45.27	277.19	5.29	-39.98
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958552	0	48	-1.0	-54.69	393.36	7.39	-47.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010958553	0	32	-1.0	-48.05	312.45	6.36	-41.69
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958554	0	36	-1.0	-51.41	333.02	4.14	-47.27
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300010958555	0	37	-1.0	-52.78	313.32	5.04	-47.74
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958556	0	33	-1.0	-45.13	316.28	5.08	-40.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958557	0	41	-1.0	-60.49	330.42	3.31	-57.18
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CS1	REAL300010958558	0	32	-1.0	-54.47	303.72	4.15	-50.32
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958559	0	38	-1.0	-51.61	342.90	7.17	-44.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010958560	0	40	-1.0	-55.83	362.93	7.60	-48.23
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958561	0	38	-1.0	-55.70	316.20	5.35	-50.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010958562	0	31	-1.0	-48.08	305.73	5.72	-42.36
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958563	0	33	-1.0	-45.11	309.67	5.93	-39.18
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958564	0	41	-1.0	-46.70	338.34	5.29	-41.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010958565	0	31	-1.0	-53.80	284.46	5.10	-48.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=C1	REAL300010958566	0	43	-1.0	-55.05	367.62	7.76	-47.29
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010958567	0	32	-1.0	-54.61	287.94	1.93	-52.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010958568	0	37	-1.0	-55.15	318.31	4.80	-50.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010958569	0	29	-1.0	-53.34	285.29	5.34	-48.00
COC1=C(C)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958570	0	39	-1.0	-46.30	333.23	5.51	-40.79
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C(=O)OC)S1	REAL300010958571	0	38	-1.0	-53.73	356.23	5.68	-48.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010958572	0	29	-1.0	-47.00	292.43	4.64	-42.36
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300010958573	0	42	-1.0	-57.31	378.55	6.46	-50.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010958574	0	38	-1.0	-45.08	341.73	6.52	-38.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010958575	0	35	-1.0	-54.33	321.95	5.12	-49.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010958576	0	35	-1.0	-54.79	340.00	6.09	-48.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCC(F)(F)F	REAL300010958577	0	32	-1.0	-46.09	300.59	2.94	-43.15
CC1=NC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2O1	REAL300010958578	0	34	-1.0	-53.19	299.82	2.09	-51.10
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958579	0	41	-1.0	-44.57	314.29	7.25	-37.32
CC1=CC(Br)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958581	0	29	-1.0	-44.82	290.58	5.29	-39.53
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010958582	0	34	-1.0	-47.14	320.15	5.48	-41.66
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958583	0	34	-1.0	-48.63	306.81	6.08	-42.55
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010958584	0	33	-1.0	-51.62	309.12	3.30	-48.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010958585	0	34	-1.0	-62.89	304.23	6.29	-56.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010958586	0	37	-1.0	-49.53	326.44	6.65	-42.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010958587	0	37	-1.0	-45.26	335.12	6.92	-38.34
CC1=NN2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=NC2=C1Cl	REAL300010958588	0	34	-1.0	-50.05	318.14	4.25	-45.80
CCCCCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300010958589	0	47	-1.0	-46.53	393.91	5.39	-41.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010958590	0	29	-1.0	-39.82	288.86	5.18	-34.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010958591	0	32	-1.0	-51.09	296.02	5.52	-45.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(=C32)C=C1	REAL300010958592	0	40	-1.0	-48.53	337.13	6.23	-42.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010958593	0	33	-1.0	-63.63	309.98	5.50	-58.13
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1F	REAL300010958594	0	34	-1.0	-51.76	309.28	5.75	-46.01
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958595	0	35	-1.0	-47.48	311.04	6.26	-41.22
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(OC)=C1	REAL300010958596	0	44	-1.0	-54.99	379.02	2.23	-52.76
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958597	1	44	-1.0	-45.50	377.81	1.77	-43.73
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958598	0	43	-1.0	-54.36	377.68	2.85	-51.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010958599	0	43	-1.0	-57.33	361.57	5.64	-51.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010958600	0	32	-1.0	-55.16	279.01	3.83	-51.33
CC1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958601	0	32	-1.0	-45.67	295.95	6.02	-39.65
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958602	0	32	-1.0	-45.96	292.20	5.90	-40.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010958603	0	32	-1.0	-61.49	295.23	5.25	-56.24
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958604	0	40	-1.0	-54.55	356.19	2.06	-52.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010958605	0	28	-1.0	-47.11	277.33	4.04	-43.07
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300010958606	0	40	-1.0	-47.62	343.29	5.48	-42.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010958607	0	32	-1.0	-58.01	316.70	6.20	-51.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010958608	0	37	-1.0	-57.14	335.93	2.91	-54.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010958609	0	29	-1.0	-53.32	284.64	6.19	-47.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010958610	0	28	-1.0	-41.19	279.68	3.69	-37.50
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958611	0	34	-1.0	-51.10	307.00	3.22	-47.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010958612	0	32	-1.0	-54.43	322.77	1.59	-52.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010958613	0	48	-1.0	-51.04	416.75	5.69	-45.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010958614	0	37	-1.0	-53.39	309.77	4.96	-48.43
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958615	0	39	-1.0	-55.51	326.77	5.08	-50.43
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958616	0	43	-1.0	-52.81	397.23	2.34	-50.47
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010958617	0	38	-1.0	-54.17	349.00	4.36	-49.81
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Cl	REAL300010958618	0	32	-1.0	-45.74	286.93	5.57	-40.17
CC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300010958619	0	34	-1.0	-51.22	315.27	5.54	-45.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010958620	0	40	-1.0	-55.81	362.35	3.31	-52.50
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)CC1	REAL300010958621	0	42	-1.0	-55.47	354.56	7.06	-48.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010958622	0	33	-1.0	-63.97	318.62	5.89	-58.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010958623	0	38	-1.0	-54.64	327.77	8.29	-46.35
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300010958624	0	37	-1.0	-52.89	309.67	6.14	-46.75
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010958625	0	35	-1.0	-52.80	307.57	6.63	-46.17
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010958626	0	42	-1.0	-59.44	346.47	5.70	-53.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CCOCC1	REAL300010958627	0	41	-1.0	-43.51	335.33	1.72	-41.79
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010958628	0	35	-1.0	-50.62	324.89	2.49	-48.13
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958629	0	38	-1.0	-51.54	339.26	6.08	-45.46
CCC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C(C(=O)OC)O1	REAL300010958630	0	38	-1.0	-54.69	344.58	4.77	-49.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010958631	0	46	-1.0	-61.94	371.44	6.24	-55.70
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958632	0	42	-1.0	-46.47	364.89	6.89	-39.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010958633	0	30	-1.0	-40.93	288.19	5.43	-35.50
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958634	0	33	-1.0	-45.86	311.67	5.24	-40.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010958635	0	34	-1.0	-47.58	310.12	4.72	-42.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010958636	0	49	-1.0	-64.63	372.46	5.91	-58.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010958637	0	43	-1.0	-45.57	353.46	5.03	-40.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010958638	0	40	-1.0	-47.62	358.51	5.55	-42.07
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958639	0	35	-1.0	-50.74	305.32	2.02	-48.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010958640	0	31	-1.0	-50.24	290.96	3.66	-46.58
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC=N1	REAL300010958641	0	31	-1.0	-47.50	295.87	2.95	-44.55
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958642	0	35	-1.0	-51.95	317.40	5.15	-46.80
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965001	0	44	-1.0	-54.39	381.12	4.64	-49.75
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965002	0	46	-1.0	-51.98	390.13	6.77	-45.21
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C2	REAL300010965003	0	32	-1.0	-55.10	309.21	6.37	-48.73
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010965004	0	36	-1.0	-55.00	333.83	4.85	-50.15
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)C=C1Cl	REAL300010965005	0	36	-1.0	-50.66	355.07	5.79	-44.87
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965006	0	40	-1.0	-55.63	357.65	4.61	-51.02
COC(=O)C1=CSC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965007	0	33	-1.0	-55.30	322.61	3.86	-51.44
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965008	0	42	-1.0	-52.04	360.69	6.25	-45.79
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300010965009	0	39	-1.0	-52.13	345.11	5.37	-46.76
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965010	0	36	-1.0	-54.72	327.05	4.58	-50.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1CCCC3)C2	REAL300010965011	0	40	-1.0	-51.38	329.71	6.83	-44.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C2	REAL300010965012	0	36	-1.0	-53.04	325.46	5.87	-47.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C2	REAL300010965013	0	29	-1.0	-50.23	290.88	2.99	-47.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C2	REAL300010965014	0	34	-1.0	-49.54	330.89	5.64	-43.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C2	REAL300010965015	0	30	-1.0	-51.21	301.51	4.84	-46.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCS(=O)(=O)C3=C1)C2	REAL300010965016	0	37	-1.0	-67.33	338.86	2.06	-65.27
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965017	0	33	-1.0	-51.14	307.47	5.57	-45.57
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010965018	0	34	-1.0	-51.11	324.42	4.15	-46.96
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010965019	0	41	-1.0	-52.40	351.91	5.42	-46.98
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965020	0	38	-1.0	-56.81	353.21	0.96	-55.85
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300010965021	0	47	-1.0	-55.83	405.19	3.35	-52.48
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965022	0	34	-1.0	-52.48	320.58	4.20	-48.28
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965023	0	39	-1.0	-62.00	356.41	2.60	-59.40
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3N=C(Cl)SC3=C1)C2	REAL300010965024	0	32	-1.0	-51.31	322.84	4.09	-47.22
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965025	0	35	-1.0	-56.92	328.25	5.14	-51.78
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965026	0	31	-1.0	-51.14	316.63	5.18	-45.96
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965027	0	37	-1.0	-53.01	346.27	5.07	-47.94
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC(=O)NC(=O)C3=C1)C2	REAL300010965028	0	35	-1.0	-52.45	324.92	-0.35	-52.80
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2S1	REAL300010965029	0	44	-1.0	-52.89	387.56	6.13	-46.76
COC(=O)CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965030	0	39	-1.0	-55.63	340.34	4.67	-50.96
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965031	0	35	-1.0	-57.20	331.21	4.30	-52.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3COCC3=C1)C2	REAL300010965032	0	35	-1.0	-52.73	310.50	3.47	-49.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300010965033	0	38	-1.0	-58.05	338.00	5.43	-52.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C2	REAL300010965034	0	36	-1.0	-61.60	317.43	0.57	-61.03
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965035	0	40	-1.0	-55.83	353.92	5.10	-50.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3C=NN=N3)C=C1)C2	REAL300010965036	0	35	-1.0	-59.29	322.85	4.35	-54.94
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010965037	0	40	-1.0	-51.07	340.40	5.30	-45.77
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965038	0	38	-1.0	-60.28	350.88	0.35	-59.93
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965039	0	39	-1.0	-56.62	344.67	5.95	-50.67
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C2	REAL300010965040	0	34	-1.0	-53.86	302.35	4.26	-49.60
CSC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965041	0	34	-1.0	-51.87	314.71	5.20	-46.67
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965042	0	42	-1.0	-52.79	372.64	6.57	-46.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C2	REAL300010965043	0	36	-1.0	-54.17	337.14	5.87	-48.30
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965044	0	41	-1.0	-52.77	341.43	5.78	-46.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C2	REAL300010965045	0	29	-1.0	-52.87	300.11	3.30	-49.57
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCCO3)C2	REAL300010965046	0	36	-1.0	-56.14	317.86	3.80	-52.34
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=NC=CC=C31)C2	REAL300010965047	0	35	-1.0	-53.28	310.69	4.63	-48.65
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965048	0	33	-1.0	-48.85	310.32	5.69	-43.16
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)CCC3=C1)C2	REAL300010965049	0	38	-1.0	-54.79	334.38	3.36	-51.43
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965050	0	46	-1.0	-57.46	389.65	5.11	-52.35
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300010965051	0	44	-1.0	-52.89	376.72	5.23	-47.66
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)N(C)C1=O	REAL300010965052	0	36	-1.0	-64.46	321.09	3.21	-61.25
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965053	0	35	-1.0	-57.58	328.75	-0.87	-58.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3CCCC3=O)C=C1)C2	REAL300010965054	0	41	-1.0	-60.23	351.82	5.30	-54.93
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965055	0	44	-1.0	-58.10	367.22	5.77	-52.33
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010965056	0	38	-1.0	-49.75	334.22	6.27	-43.48
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965057	0	36	-1.0	-53.30	329.28	4.85	-48.45
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965058	0	41	-1.0	-57.85	353.41	5.21	-52.64
CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965059	0	37	-1.0	-57.40	330.95	2.47	-54.93
NC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965060	0	34	-1.0	-57.42	309.01	0.97	-56.45
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2CC1C	REAL300010965061	0	44	-1.0	-55.34	369.13	5.74	-49.60
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CS1	REAL300010965062	0	33	-1.0	-57.21	313.40	4.55	-52.66
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965063	0	33	-1.0	-51.73	322.44	3.94	-47.79
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300010965064	0	34	-1.0	-54.78	330.90	5.38	-49.40
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965065	0	36	-1.0	-60.48	327.57	2.70	-57.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)C(=O)NC3=C1)C2	REAL300010965066	0	36	-1.0	-57.64	331.12	1.17	-56.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCC(=O)NC3=C1)C2	REAL300010965067	0	36	-1.0	-54.15	324.99	1.41	-52.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C3NC(=O)COC3=C1)C2	REAL300010965068	0	36	-1.0	-53.56	338.46	1.98	-51.58
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2N=C1	REAL300010965069	0	38	-1.0	-57.55	327.13	6.05	-51.50
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=C1	REAL300010965070	0	36	-1.0	-61.20	321.09	4.96	-56.24
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965071	0	34	-1.0	-53.04	319.99	4.45	-48.59
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C2	REAL300010965072	0	34	-1.0	-51.03	308.88	4.48	-46.55
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965073	0	35	-1.0	-60.58	328.53	-0.86	-61.44
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965074	0	36	-1.0	-53.92	329.35	4.83	-49.09
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC3CC3)=C1)C2	REAL300010965075	0	42	-1.0	-55.00	383.28	2.03	-52.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010965076	0	35	-1.0	-56.00	326.29	5.56	-50.44
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300010965077	0	33	-1.0	-53.72	309.50	5.40	-48.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)NC(=O)C3=C1)C2	REAL300010965078	0	36	-1.0	-55.26	330.05	0.57	-54.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965079	0	36	-1.0	-59.85	335.21	1.70	-58.15
CN1C(=O)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1=O	REAL300010965080	0	37	-1.0	-55.84	340.19	3.45	-52.39
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965081	0	38	-1.0	-53.45	341.62	5.73	-47.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC3=CC=CC=C3C1)C2	REAL300010965082	0	39	-1.0	-51.43	331.05	5.51	-45.92
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CN=C12	REAL300010965083	0	38	-1.0	-53.89	330.50	5.48	-48.41
CN1C(=O)OC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965084	0	36	-1.0	-58.58	327.97	4.14	-54.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OC(=O)C=CC3=C1)C2	REAL300010965085	0	35	-1.0	-55.79	322.38	5.68	-50.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965086	0	38	-1.0	-60.97	330.45	6.86	-54.11
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010965087	0	44	-1.0	-54.76	369.06	4.90	-49.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C2	REAL300010965088	0	34	-1.0	-52.07	320.56	3.97	-48.10
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965089	0	41	-1.0	-59.57	369.82	2.19	-57.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C2	REAL300010965090	0	30	-1.0	-51.53	294.49	4.81	-46.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C2	REAL300010965091	0	32	-1.0	-57.22	308.77	6.18	-51.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC(C(=O)N3CCCC3)=C1)C2	REAL300010965092	0	42	-1.0	-63.88	360.50	3.52	-60.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C2	REAL300010965093	0	40	-1.0	-54.00	341.99	7.71	-46.29
CC1CC(C)CN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010965094	0	41	-1.0	-50.19	329.79	4.74	-45.45
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965095	0	39	-1.0	-53.58	351.23	5.76	-47.82
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965096	0	44	-1.0	-59.08	369.92	4.14	-54.94
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300010965097	0	30	-1.0	-50.12	291.24	4.70	-45.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C2	REAL300010965098	0	30	-1.0	-49.99	295.81	4.80	-45.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010965099	0	32	-1.0	-51.73	302.73	4.85	-46.88
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3C=C1)C2	REAL300010965100	0	36	-1.0	-53.37	320.50	6.46	-46.91
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965101	0	37	-1.0	-58.62	330.85	3.06	-55.56
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965102	0	35	-1.0	-50.48	317.25	5.74	-44.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300010965103	0	32	-1.0	-62.71	291.77	5.66	-57.05
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965104	0	37	-1.0	-52.28	346.17	5.49	-46.79
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965105	0	37	-1.0	-51.94	325.86	4.40	-47.54
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C2	REAL300010965106	0	30	-1.0	-49.30	278.73	4.01	-45.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C2	REAL300010965107	0	30	-1.0	-49.51	287.08	4.32	-45.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCOC3=C1)C2	REAL300010965108	0	36	-1.0	-54.74	318.74	3.34	-51.40
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010965109	0	39	-1.0	-50.36	322.24	6.43	-43.93
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965110	0	45	-1.0	-50.52	365.52	7.39	-43.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C2	REAL300010965111	0	30	-1.0	-50.80	306.42	5.15	-45.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C2	REAL300010965112	0	30	-1.0	-51.94	287.21	4.30	-47.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C2	REAL300010965113	0	30	-1.0	-51.66	304.87	5.25	-46.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C2	REAL300010965114	0	33	-1.0	-53.32	313.30	5.18	-48.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2	REAL300010965115	0	33	-1.0	-55.64	296.09	5.62	-50.02
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C2	REAL300010965116	0	33	-1.0	-52.15	326.16	5.60	-46.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C2	REAL300010965117	0	30	-1.0	-50.48	291.29	4.70	-45.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C2	REAL300010965118	0	33	-1.0	-51.73	327.19	5.74	-45.99
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965119	0	35	-1.0	-56.46	317.04	4.67	-51.79
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C2	REAL300010965120	0	30	-1.0	-51.19	297.09	4.74	-46.45
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965121	0	35	-1.0	-56.30	315.07	4.56	-51.74
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=CO1	REAL300010965122	0	39	-1.0	-57.55	350.67	3.25	-54.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C2	REAL300010965123	0	29	-1.0	-49.16	301.62	3.26	-45.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300010965124	0	33	-1.0	-53.10	304.02	4.57	-48.53
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965125	0	34	-1.0	-53.94	317.61	4.03	-49.91
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2S1	REAL300010965126	0	39	-1.0	-57.71	359.51	6.55	-51.16
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965127	0	39	-1.0	-56.10	351.24	5.63	-50.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CC3=CC=CC=C3C1)C2	REAL300010965128	0	37	-1.0	-52.58	310.75	5.63	-46.95
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)C=C1	REAL300010965129	0	40	-1.0	-54.52	356.54	5.98	-48.54
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965130	0	41	-1.0	-61.16	354.76	5.31	-55.85
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965131	0	31	-1.0	-61.31	308.16	4.88	-56.43
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965132	0	34	-1.0	-50.92	309.78	5.46	-45.46
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)N(C)C	REAL300010965133	0	44	-1.0	-57.66	376.45	3.92	-53.74
CC1CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC(Cl)=C2O1	REAL300010965134	0	38	-1.0	-51.89	348.19	5.29	-46.60
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1[N+](=O)[O-]	REAL300010965135	0	35	-1.0	-52.29	321.14	5.48	-46.81
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC([N+](=O)[O-])=C1C	REAL300010965136	0	44	-1.0	-50.05	389.42	6.79	-43.26
COC(=O)C1=COC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965137	0	33	-1.0	-55.66	314.17	2.93	-52.73
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965138	0	41	-1.0	-59.35	362.03	4.94	-54.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3C=CSC3=C1)C2	REAL300010965139	0	32	-1.0	-53.27	306.52	3.66	-49.61
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965140	0	40	-1.0	-56.90	341.88	4.39	-52.51
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=C1	REAL300010965141	0	31	-1.0	-54.59	294.59	3.22	-51.37
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300010965142	0	40	-1.0	-64.04	347.88	3.94	-60.10
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965143	0	42	-1.0	-53.57	348.72	4.73	-48.84
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300010965144	0	32	-1.0	-51.94	305.16	3.39	-48.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)C=CC3=C1)C2	REAL300010965145	0	36	-1.0	-56.49	325.95	3.24	-53.25
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965146	0	39	-1.0	-50.36	347.27	5.83	-44.53
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C#N	REAL300010965147	0	34	-1.0	-60.86	311.94	4.97	-55.89
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1	REAL300010965148	0	38	-1.0	-53.80	333.24	2.79	-51.01
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965149	0	36	-1.0	-60.15	322.52	5.53	-54.62
CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CC	REAL300010965150	0	42	-1.0	-51.57	351.55	6.74	-44.83
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965151	0	38	-1.0	-50.09	329.09	6.42	-43.67
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)O1	REAL300010965152	0	36	-1.0	-54.49	317.67	3.21	-51.28
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965153	0	31	-1.0	-49.60	296.86	2.05	-47.55
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965154	0	32	-1.0	-58.36	306.96	3.03	-55.33
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1F	REAL300010965155	0	36	-1.0	-50.64	321.30	5.52	-45.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCNC(=O)C3=C1)C2	REAL300010965156	0	38	-1.0	-58.62	334.15	2.63	-55.99
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010965157	0	37	-1.0	-59.67	335.73	4.28	-55.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C2	REAL300010965158	0	30	-1.0	-49.15	297.66	4.76	-44.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C2	REAL300010965159	0	29	-1.0	-50.36	286.31	2.88	-47.48
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965160	0	41	-1.0	-54.90	356.96	6.02	-48.88
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C2	REAL300010965161	0	33	-1.0	-53.85	321.00	5.44	-48.41
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(N)=O	REAL300010965162	0	35	-1.0	-56.53	316.53	0.34	-56.19
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965163	0	33	-1.0	-48.62	305.72	5.47	-43.15
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965164	0	41	-1.0	-56.31	349.33	4.92	-51.39
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010965165	0	38	-1.0	-56.63	338.44	1.83	-54.80
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010965166	0	40	-1.0	-51.44	330.71	5.08	-46.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C3CCC(=O)NC3=C1)C2	REAL300010965167	0	38	-1.0	-56.74	347.91	3.91	-52.83
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965168	0	39	-1.0	-56.21	352.91	5.55	-50.66
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)CCCC3=C1)C2	REAL300010965169	0	41	-1.0	-54.44	350.04	4.32	-50.12
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965170	0	39	-1.0	-59.99	353.22	5.53	-54.46
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965171	0	36	-1.0	-50.76	335.94	3.90	-46.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3C(=C1)CC1=CC=CC=C13)C2	REAL300010965172	0	41	-1.0	-53.12	358.75	8.29	-44.83
COC(=O)COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965173	0	40	-1.0	-57.84	360.36	5.10	-52.74
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965174	0	43	-1.0	-54.32	381.32	5.25	-49.07
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965175	0	40	-1.0	-50.90	338.90	5.10	-45.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3COC(=O)C3=C1)C2	REAL300010965176	0	34	-1.0	-56.48	312.87	4.56	-51.92
CCOC(=O)CCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965177	0	38	-1.0	-57.69	337.02	4.38	-53.31
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C2	REAL300010965178	0	33	-1.0	-54.16	310.51	6.24	-47.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C2	REAL300010965179	0	32	-1.0	-58.06	312.91	6.28	-51.78
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965180	0	35	-1.0	-54.53	312.86	6.60	-47.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C2	REAL300010965181	0	32	-1.0	-50.91	319.22	5.59	-45.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C2	REAL300010965182	0	27	-1.0	-51.07	282.76	3.94	-47.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1COC3=O)C2	REAL300010965183	0	34	-1.0	-55.34	312.49	4.53	-50.81
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CN=C2C=C1	REAL300010965184	0	38	-1.0	-52.35	319.16	5.36	-46.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C2	REAL300010965185	0	32	-1.0	-55.46	310.06	3.51	-51.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=C3NC(=O)CCC3=C1)C2	REAL300010965186	0	38	-1.0	-53.98	331.80	3.12	-50.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CN=CC=C31)C2	REAL300010965187	0	35	-1.0	-56.98	311.00	4.73	-52.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C2	REAL300010965188	0	29	-1.0	-50.81	304.58	3.48	-47.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C2	REAL300010965189	0	32	-1.0	-49.76	300.56	4.61	-45.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C2	REAL300010965190	0	32	-1.0	-52.43	318.90	5.31	-47.12
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965191	0	39	-1.0	-59.11	354.58	2.69	-56.42
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=N1	REAL300010965192	0	35	-1.0	-64.45	324.40	5.06	-59.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300010965193	0	32	-1.0	-63.86	306.60	5.53	-58.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C2	REAL300010965194	0	32	-1.0	-49.47	309.13	4.92	-44.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300010965195	0	37	-1.0	-53.70	345.43	4.87	-48.83
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C2	REAL300010965196	0	32	-1.0	-56.86	313.33	6.28	-50.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C=C1)C2	REAL300010965197	0	44	-1.0	-53.53	385.55	7.47	-46.06
CC1(C)C2CCC1(CS(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C(=O)C2	REAL300010965198	0	45	-1.0	-59.79	351.68	6.62	-53.17
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965199	0	38	-1.0	-57.08	349.22	0.56	-56.52
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965200	0	38	-1.0	-60.64	337.65	5.45	-55.19
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965201	0	43	-1.0	-53.31	358.13	2.87	-50.44
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=C(Cl)N=C2C=C1	REAL300010965202	0	39	-1.0	-54.55	353.57	5.42	-49.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC3=CC=CC=C3)N=C1)C2	REAL300010965203	0	40	-1.0	-54.22	360.53	5.75	-48.47
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965204	0	52	-1.0	-52.55	415.05	7.20	-45.35
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965205	0	38	-1.0	-60.04	351.54	0.81	-59.23
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010965206	0	36	-1.0	-55.94	339.32	1.73	-54.21
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1F	REAL300010965207	0	33	-1.0	-49.37	298.72	4.63	-44.74
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965208	0	37	-1.0	-53.40	334.04	5.23	-48.17
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965209	0	42	-1.0	-54.18	365.28	5.72	-48.46
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2F)N=C1	REAL300010965210	0	40	-1.0	-59.60	358.87	6.22	-53.38
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965211	0	37	-1.0	-52.58	345.57	2.99	-49.59
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965212	0	37	-1.0	-61.64	338.20	-1.08	-62.72
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965213	0	33	-1.0	-50.58	299.05	4.64	-45.94
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965214	0	35	-1.0	-52.61	334.95	6.02	-46.59
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC2=CC=C(F)C=C12	REAL300010965215	0	36	-1.0	-50.52	328.28	5.45	-45.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C2	REAL300010965216	0	27	-1.0	-48.40	302.29	4.41	-43.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(OC(F)F)C=C3CC1)C2	REAL300010965217	0	42	-1.0	-54.06	367.96	6.17	-47.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300010965218	0	30	-1.0	-52.59	278.63	3.99	-48.60
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C2	REAL300010965219	0	30	-1.0	-50.43	293.67	4.57	-45.86
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300010965220	0	36	-1.0	-50.45	328.70	5.71	-44.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300010965221	0	36	-1.0	-51.52	347.41	4.93	-46.59
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010965222	0	38	-1.0	-54.17	340.57	3.91	-50.26
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965223	0	37	-1.0	-54.73	343.00	4.77	-49.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C2	REAL300010965224	0	33	-1.0	-54.52	324.96	5.54	-48.98
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010965225	0	34	-1.0	-54.92	314.05	1.16	-53.76
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C2	REAL300010965226	0	39	-1.0	-52.65	356.05	7.02	-45.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C2	REAL300010965227	0	32	-1.0	-55.46	310.06	3.51	-51.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C2	REAL300010965228	0	32	-1.0	-50.55	319.36	5.58	-44.97
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965229	0	36	-1.0	-55.54	325.18	5.75	-49.79
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C2	REAL300010965230	0	33	-1.0	-52.91	311.55	5.33	-47.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3CCCS3(=O)=O)C=C1)C2	REAL300010965231	0	42	-1.0	-67.77	372.05	2.77	-65.00
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300010965232	0	37	-1.0	-53.83	344.11	4.68	-49.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C2	REAL300010965233	0	30	-1.0	-51.49	309.43	5.35	-46.14
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CN=C21	REAL300010965234	0	38	-1.0	-52.35	343.95	1.60	-50.75
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010965235	0	39	-1.0	-54.85	355.70	5.79	-49.06
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C(C=C1[N+](=O)[O-])OCCO3)C2	REAL300010965236	0	38	-1.0	-59.03	339.65	4.82	-54.21
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(Cl)=CC=C3S1)C2	REAL300010965237	0	33	-1.0	-50.43	330.20	6.12	-44.31
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC(Cl)=CC=C2S1	REAL300010965238	0	36	-1.0	-49.93	339.93	7.02	-42.91
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC3=CC=C(Cl)C=C13)C2	REAL300010965239	0	33	-1.0	-53.81	328.10	6.03	-47.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC3=CC=CC=C31)C2	REAL300010965240	0	36	-1.0	-54.03	320.46	6.99	-47.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CC=C(Cl)C=C31)C2	REAL300010965241	0	36	-1.0	-57.23	332.38	7.03	-50.20
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010965242	0	44	-1.0	-55.12	388.07	6.43	-48.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965243	0	36	-1.0	-56.37	339.60	1.72	-54.65
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965244	0	43	-1.0	-59.09	381.99	5.75	-53.34
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C2	REAL300010965245	0	41	-1.0	-60.13	374.32	1.24	-58.89
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965246	1	31	-1.0	-51.62	302.39	4.81	-46.81
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1N(C)C	REAL300010965247	0	41	-1.0	-50.86	348.87	4.84	-46.02
CN1C(Cl)=NC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965248	0	30	-1.0	-50.21	290.53	3.10	-47.11
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965249	0	35	-1.0	-49.66	330.07	6.11	-43.55
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N=C1Cl	REAL300010965250	0	30	-1.0	-53.82	294.75	3.01	-50.81
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965251	0	33	-1.0	-69.31	317.41	4.89	-64.42
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965252	0	36	-1.0	-55.24	335.05	6.19	-49.05
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965253	0	42	-1.0	-54.18	345.95	4.62	-49.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCC3=C1)C2	REAL300010965254	0	35	-1.0	-52.33	310.43	4.04	-48.29
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965255	0	36	-1.0	-62.63	334.95	1.71	-60.92
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965256	0	44	-1.0	-57.69	365.52	4.78	-52.91
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965257	0	38	-1.0	-57.48	326.99	6.06	-51.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=CC=C13)C2	REAL300010965258	0	33	-1.0	-62.74	302.78	3.38	-59.36
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965259	0	40	-1.0	-58.32	351.16	3.88	-54.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C2	REAL300010965260	0	33	-1.0	-54.16	320.14	5.43	-48.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C2	REAL300010965261	0	31	-1.0	-64.96	289.17	4.82	-60.14
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965262	0	39	-1.0	-55.87	342.58	5.94	-49.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C2	REAL300010965263	0	30	-1.0	-51.89	294.53	4.80	-47.09
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965264	0	49	-1.0	-64.13	403.89	7.45	-56.68
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300010965265	0	33	-1.0	-53.20	325.12	5.78	-47.42
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965266	0	37	-1.0	-55.37	342.46	3.46	-51.91
CC1CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010965267	0	38	-1.0	-52.25	331.57	4.80	-47.45
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965268	0	34	-1.0	-50.61	333.30	4.61	-46.00
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965269	0	42	-1.0	-54.61	362.03	3.07	-51.54
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300010965270	0	33	-1.0	-56.74	321.83	3.86	-52.88
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965271	0	39	-1.0	-55.08	357.75	6.68	-48.40
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300010965272	0	41	-1.0	-52.80	379.92	7.53	-45.27
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010965273	0	39	-1.0	-56.31	338.23	5.58	-50.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C2	REAL300010965274	0	32	-1.0	-49.04	324.02	5.47	-43.57
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965275	0	34	-1.0	-49.05	320.06	5.01	-44.04
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965276	0	42	-1.0	-54.37	351.87	4.72	-49.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300010965277	0	32	-1.0	-52.71	302.78	4.85	-47.86
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=C1	REAL300010965278	0	44	-1.0	-52.08	386.32	7.76	-44.32
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965279	0	37	-1.0	-54.23	324.43	4.61	-49.62
N#CC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965280	0	34	-1.0	-55.54	318.93	5.28	-50.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)OC3=C1)C2	REAL300010965281	0	33	-1.0	-54.23	305.99	1.70	-52.53
CN1C(=O)CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965282	0	38	-1.0	-54.06	337.34	4.61	-49.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C2	REAL300010965283	0	30	-1.0	-49.73	302.29	5.28	-44.45
COC(=O)C1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965284	0	41	-1.0	-57.66	343.67	3.85	-53.81
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965285	0	40	-1.0	-52.20	347.84	5.07	-47.13
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C(=O)OC)S1	REAL300010965286	0	39	-1.0	-55.59	369.86	5.38	-50.21
COCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965287	0	37	-1.0	-52.64	329.63	3.90	-48.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)N=C3SC=CN31)C2	REAL300010965288	0	30	-1.0	-53.11	305.05	4.22	-48.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(C3=CC=CC=C3)=NO1)C2	REAL300010965289	0	39	-1.0	-58.68	353.04	6.02	-52.66
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300010965290	0	36	-1.0	-52.64	341.01	4.86	-47.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300010965291	0	36	-1.0	-51.19	357.73	5.38	-45.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCOCC(F)(F)F)C2	REAL300010965292	0	33	-1.0	-54.43	313.27	2.36	-52.07
CC1=NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2O1	REAL300010965293	0	35	-1.0	-55.26	317.90	1.85	-53.41
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965294	0	42	-1.0	-49.15	331.12	7.47	-41.68
CC1=CC(Br)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965296	0	30	-1.0	-50.90	304.96	4.75	-46.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(Cl)N=C3C=C1F)C2	REAL300010965297	0	35	-1.0	-53.66	330.02	4.75	-48.91
CC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965298	0	39	-1.0	-54.37	336.82	6.08	-48.29
CC1=C(Br)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010965299	1	29	-1.0	-50.63	302.60	2.42	-48.21
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965300	0	35	-1.0	-50.37	322.12	5.76	-44.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=NC=C(Cl)N=C3C=C1)C2	REAL300010965301	0	34	-1.0	-51.94	327.03	3.05	-48.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C2	REAL300010965302	0	35	-1.0	-62.75	316.20	5.97	-56.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300010965303	0	38	-1.0	-57.31	339.14	6.06	-51.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010965304	0	38	-1.0	-57.68	347.82	6.35	-51.33
CC1=NN2C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=NC2=C1Cl	REAL300010965305	0	35	-1.0	-54.52	333.05	4.01	-50.51
CCCCCCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300010965306	0	48	-1.0	-55.92	404.74	4.78	-51.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C2	REAL300010965308	0	33	-1.0	-55.56	308.70	4.95	-50.61
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@@H]4C[C@@]5(C(=O)[O-])C[C@@H]45)C=CC1=C23	REAL300010965309	0	41	-1.0	-55.63	360.43	6.10	-49.53
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965310	0	34	-1.0	-56.60	324.26	5.30	-51.30
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC([N+](=O)[O-])=C1F	REAL300010965311	0	35	-1.0	-51.06	327.56	5.50	-45.56
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965312	0	36	-1.0	-55.32	324.72	5.74	-49.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(=O)N3CCCC3)C(F)=C1)C2	REAL300010965313	0	44	-1.0	-54.86	380.39	5.39	-49.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=CC(Cl)=C13)C2	REAL300010965314	0	33	-1.0	-63.79	311.84	4.05	-59.74
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965315	0	33	-1.0	-52.66	312.52	5.57	-47.09
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965316	0	33	-1.0	-53.83	309.55	5.39	-48.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C2	REAL300010965317	0	33	-1.0	-54.94	310.07	4.99	-49.95
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965318	0	41	-1.0	-55.98	374.67	1.85	-54.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300010965319	0	29	-1.0	-51.82	289.67	3.50	-48.32
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C21	REAL300010965320	0	41	-1.0	-54.12	361.32	5.21	-48.91
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C2	REAL300010965321	0	33	-1.0	-52.78	331.88	5.95	-46.83
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965322	0	38	-1.0	-65.94	358.33	2.46	-63.48
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300010965323	0	30	-1.0	-47.84	302.81	5.54	-42.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300010965324	0	29	-1.0	-50.10	300.12	3.36	-46.74
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965325	0	35	-1.0	-53.56	325.27	3.01	-50.55
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)S1	REAL300010965326	0	33	-1.0	-56.93	343.45	1.28	-55.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300010965327	0	38	-1.0	-53.12	328.26	4.81	-48.31
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965328	0	40	-1.0	-52.09	343.58	5.03	-47.06
CC1=C(C)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965329	0	33	-1.0	-50.60	308.17	4.59	-46.01
COCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965330	0	37	-1.0	-52.27	329.36	3.91	-48.36
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965331	0	39	-1.0	-54.50	364.25	4.05	-50.45
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C2	REAL300010965332	0	41	-1.0	-51.33	348.86	10.93	-40.40
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010965333	0	33	-1.0	-54.27	306.83	5.31	-48.96
CC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010965334	0	35	-1.0	-53.28	331.82	5.23	-48.05
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)NCC(F)(F)F	REAL300010965335	0	41	-1.0	-55.89	379.25	3.14	-52.75
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300010965336	0	43	-1.0	-55.54	372.92	6.81	-48.73
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965337	0	34	-1.0	-53.58	333.18	5.63	-47.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C2	REAL300010965338	0	39	-1.0	-55.76	340.94	7.94	-47.82
CC1(C)CN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCO1	REAL300010965339	0	39	-1.0	-50.94	321.18	2.41	-48.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300010965340	0	33	-1.0	-53.83	300.61	2.84	-50.99
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C2C=C1	REAL300010965341	0	38	-1.0	-56.77	326.66	6.06	-50.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C2	REAL300010965342	0	36	-1.0	-60.39	322.52	5.60	-54.79
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010965343	0	43	-1.0	-58.16	368.54	5.58	-52.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCN1CCOCC1)C2	REAL300010965344	0	42	-1.0	-53.81	346.83	1.02	-52.79
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C2	REAL300010965345	0	36	-1.0	-51.61	343.14	2.26	-49.35
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965346	0	39	-1.0	-52.93	357.58	5.82	-47.11
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965347	0	37	-1.0	-51.21	320.19	4.28	-46.93
CCC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(=O)OC)O1	REAL300010965348	0	39	-1.0	-49.97	353.56	4.51	-45.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CCCN(C(=O)C3=CC=CC=C3)C1)C2	REAL300010965349	0	47	-1.0	-64.19	388.14	5.96	-58.23
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965350	0	43	-1.0	-52.19	385.25	5.82	-46.37
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300010965351	0	31	-1.0	-53.62	308.84	5.13	-48.49
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965352	0	34	-1.0	-51.63	321.55	4.72	-46.91
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN3CCCCC3=N1)C2	REAL300010965353	0	37	-1.0	-55.80	320.36	4.22	-51.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=NOC3=CC=CC=C31)C2	REAL300010965354	0	35	-1.0	-59.61	321.43	4.23	-55.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CCCN(C(=O)C3CCCC3)C1)C2	REAL300010965355	0	50	-1.0	-63.68	393.20	5.73	-57.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CN(C(=O)C3CCCC3)C1)C2	REAL300010965356	0	44	-1.0	-56.61	366.60	4.39	-52.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CN(C(=O)C3=CC=CC(Cl)=C3)C1)C2	REAL300010965357	0	41	-1.0	-59.11	373.51	4.91	-54.20
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965358	0	36	-1.0	-51.92	323.56	1.80	-50.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300010965359	0	32	-1.0	-52.61	310.02	3.49	-49.12
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300010965360	1	32	-1.0	-55.78	305.43	2.27	-53.51
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965361	0	36	-1.0	-51.23	335.71	4.90	-46.33
CS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966001	0	38	-1.0	-64.04	344.83	0.97	-63.07
CC1(C)CCC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC1	REAL300010966002	0	43	-1.0	-54.45	348.62	4.53	-49.92
CCOC(=O)C1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C2C=CC=CN21	REAL300010966003	0	42	-1.0	-57.47	375.29	5.92	-51.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC3=NSN=C31)C2	REAL300010966004	0	34	-1.0	-56.31	322.30	3.21	-53.10
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1	REAL300010966005	0	39	-1.0	-55.77	355.95	6.07	-49.70
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C[C@H]1[C@H](C3=CC=CC=C3)C1(F)F)C2	REAL300010966006	0	40	-1.0	-55.94	356.58	7.04	-48.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1C[C@@H]3COC[C@@H]3O1)C2	REAL300010966007	0	39	-1.0	-56.72	327.10	1.62	-55.10
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966008	0	39	-1.0	-57.02	347.59	5.06	-51.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]3CCCC[C@H]13)C2	REAL300010966009	0	43	-1.0	-52.26	341.97	6.15	-46.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3)S1)C2	REAL300010966010	0	34	-1.0	-50.69	318.36	5.50	-45.19
COC(=O)C1CCCCN1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966011	0	41	-1.0	-53.67	338.86	5.01	-48.66
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010966012	0	52	-1.0	-51.79	403.92	8.36	-43.43
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010966013	0	33	-1.0	-59.29	319.73	4.99	-54.30
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010966014	0	41	-1.0	-52.29	349.68	5.20	-47.09
CC1=CC=CC(CNS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966015	0	38	-1.0	-50.71	334.79	4.10	-46.61
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NN1	REAL300010966016	0	36	-1.0	-52.61	334.73	1.99	-50.62
COC1=CSC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300010966017	0	35	-1.0	-53.86	324.42	2.94	-50.92
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966018	1	33	-1.0	-49.89	329.10	3.46	-46.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300010966019	0	42	-1.0	-50.54	334.34	4.67	-45.87
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966020	0	41	-1.0	-52.32	354.72	6.08	-46.24
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966021	0	34	-1.0	-51.00	326.99	5.39	-45.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C2	REAL300010966022	0	34	-1.0	-53.99	321.29	4.75	-49.24
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010966023	0	34	-1.0	-52.10	311.04	3.72	-48.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C2	REAL300010966024	0	34	-1.0	-52.01	319.98	3.82	-48.19
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966025	0	36	-1.0	-53.21	318.70	4.13	-49.08
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C2	REAL300010966026	0	33	-1.0	-58.10	303.10	5.68	-52.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C3OCCCOC3=C1)C2	REAL300010966027	0	39	-1.0	-52.82	353.38	4.68	-48.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300010966028	0	27	-1.0	-48.16	299.63	4.28	-43.88
CN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010966029	0	30	-1.0	-52.60	294.72	2.21	-50.39
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966030	0	43	-1.0	-53.80	363.93	6.56	-47.24
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC2=C1N(C)C(=O)C2(C)C	REAL300010966031	0	47	-1.0	-53.65	392.69	6.09	-47.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)N=C3C=C(Cl)C=CN31)C2	REAL300010966032	0	33	-1.0	-50.30	329.32	5.55	-44.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C2	REAL300010966033	0	35	-1.0	-55.01	325.96	4.82	-50.19
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966034	0	38	-1.0	-56.95	322.82	3.49	-53.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(I)C=CS1)C2	REAL300010966035	0	27	-1.0	-50.24	288.26	4.43	-45.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(OC3=CC=CC=C3)=C1)C2	REAL300010966036	0	41	-1.0	-52.70	363.24	7.02	-45.68
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966037	0	36	-1.0	-56.79	308.53	6.08	-50.71
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966038	0	33	-1.0	-60.77	305.70	1.78	-58.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)C(F)(F)C3=C1)C2	REAL300010966039	0	35	-1.0	-53.92	329.43	2.76	-51.16
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C3=NSN=C31)C2	REAL300010966040	0	31	-1.0	-52.29	308.89	3.14	-49.15
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966041	0	32	-1.0	-48.10	301.66	3.68	-44.42
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966042	0	41	-1.0	-54.83	358.23	5.80	-49.03
CCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CC2)=N1	REAL300010966043	0	40	-1.0	-55.00	353.09	4.92	-50.08
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NSN=C2C=C1	REAL300010966044	0	34	-1.0	-53.20	312.81	3.51	-49.69
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(Cl)C=C3C=C1)C2	REAL300010966045	0	36	-1.0	-51.66	337.19	6.96	-44.70
CC(=O)OC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010966046	0	38	-1.0	-53.28	333.84	3.38	-49.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C3=CC=CC=C3)=C1)C2	REAL300010966047	0	40	-1.0	-50.94	365.43	8.11	-42.83
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(Cl)S1	REAL300010966048	0	33	-1.0	-53.80	330.20	5.18	-48.62
CCC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010966049	0	36	-1.0	-50.15	333.26	6.06	-44.09
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966050	0	43	-1.0	-51.50	361.59	5.33	-46.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C2	REAL300010966051	0	27	-1.0	-49.91	283.37	3.69	-46.22
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966052	0	44	-1.0	-55.36	379.86	4.40	-50.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3C=C1Cl)C2	REAL300010966053	0	36	-1.0	-54.50	333.83	7.00	-47.50
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966054	0	38	-1.0	-51.43	322.66	1.79	-49.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C2	REAL300010966055	0	37	-1.0	-51.50	317.10	6.41	-45.09
CC1(C)CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010966056	0	41	-1.0	-50.24	323.02	4.11	-46.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(CO)CC1)C2	REAL300010966057	0	39	-1.0	-50.93	320.54	0.52	-50.41
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966058	0	44	-1.0	-55.94	384.10	4.86	-51.08
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3CCOCC3)C=C1)C2	REAL300010966059	0	45	-1.0	-52.69	376.19	4.56	-48.13
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966060	0	33	-1.0	-51.02	308.72	1.92	-49.10
COC1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010966061	0	36	-1.0	-52.58	321.88	1.60	-50.98
CC(C)CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010966062	0	39	-1.0	-52.86	337.51	4.34	-48.52
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966063	0	39	-1.0	-53.85	323.99	3.38	-50.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C2	REAL300010966064	0	29	-1.0	-55.96	301.91	2.16	-53.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C2	REAL300010966065	0	40	-1.0	-52.35	334.66	1.90	-50.45
COCC1=CC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NO1	REAL300010966066	0	36	-1.0	-56.47	328.94	2.05	-54.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=C(Br)C=C13)C2	REAL300010966067	0	33	-1.0	-58.25	324.01	3.99	-54.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C2	REAL300010966068	1	28	-1.0	-51.30	287.55	1.98	-49.32
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010966069	0	34	-1.0	-57.04	322.69	2.21	-54.83
CC1=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)S1	REAL300010966070	0	36	-1.0	-49.44	312.75	5.51	-43.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(I)S1)C2	REAL300010966071	0	27	-1.0	-48.61	294.41	4.38	-44.23
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC=C1Cl)C2	REAL300010966072	0	29	-1.0	-54.01	280.24	3.05	-50.96
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966073	0	34	-1.0	-52.02	324.26	4.57	-47.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C2	REAL300010966074	0	32	-1.0	-52.39	309.46	3.28	-49.11
COC1=NC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010966075	0	33	-1.0	-54.46	315.17	1.45	-53.01
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010966076	0	39	-1.0	-59.22	356.48	3.23	-55.99
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966077	0	37	-1.0	-60.16	336.54	1.97	-58.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C2	REAL300010966078	0	34	-1.0	-51.76	337.43	6.31	-45.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C2	REAL300010966079	0	35	-1.0	-51.90	324.43	6.28	-45.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C2	REAL300010966080	1	29	-1.0	-52.93	294.35	3.00	-49.93
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N=C1	REAL300010966081	0	41	-1.0	-54.99	346.64	4.58	-50.41
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CN=C12	REAL300010966082	0	38	-1.0	-53.89	330.50	5.48	-48.41
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010966083	0	38	-1.0	-53.09	341.28	3.55	-49.54
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966084	0	33	-1.0	-59.43	312.79	6.06	-53.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C2	REAL300010966085	0	37	-1.0	-50.92	322.84	4.35	-46.57
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C2	REAL300010966086	0	37	-1.0	-51.95	329.81	5.45	-46.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C2	REAL300010966087	0	32	-1.0	-55.46	304.32	3.20	-52.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC3=CC=CN=C31)C2	REAL300010966088	0	35	-1.0	-54.09	309.36	4.58	-49.51
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NN1C(C)C	REAL300010966089	0	39	-1.0	-54.93	322.88	3.46	-51.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C3CC3(F)F)=C1)C2	REAL300010966090	0	37	-1.0	-53.65	335.75	6.42	-47.23
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C2	REAL300010966091	0	32	-1.0	-52.72	301.88	3.21	-49.51
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300010966092	0	30	-1.0	-50.12	291.24	4.70	-45.42
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=C1NCCC2	REAL300010966093	0	42	-1.0	-51.13	344.46	5.14	-45.99
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010966094	0	44	-1.0	-52.91	384.30	7.78	-45.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3(F)F)C=C1)C2	REAL300010966095	0	37	-1.0	-53.93	334.44	6.38	-47.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1Br)C2	REAL300010966096	0	27	-1.0	-51.59	283.99	3.75	-47.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC(Cl)=CC=C13)C2	REAL300010966097	0	34	-1.0	-56.06	325.17	4.63	-51.43
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966098	0	32	-1.0	-48.10	306.25	3.75	-44.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC3=CC=CC=C31)C2	REAL300010966099	0	35	-1.0	-54.87	310.86	4.69	-50.18
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966100	0	39	-1.0	-54.30	341.28	6.03	-48.27
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3C(=C1)CC1=CC=CC=C13)C2	REAL300010966101	0	41	-1.0	-53.12	358.75	8.29	-44.83
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C2	REAL300010966102	0	33	-1.0	-53.26	304.48	4.80	-48.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C2	REAL300010966103	0	29	-1.0	-50.23	290.88	2.99	-47.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C2	REAL300010966104	0	32	-1.0	-55.61	296.89	3.75	-51.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C2	REAL300010966105	0	33	-1.0	-50.99	300.56	3.68	-47.31
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966106	0	38	-1.0	-58.41	331.93	0.03	-58.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CC3CCC(C1)O3)C2	REAL300010966107	0	37	-1.0	-50.84	305.71	2.31	-48.53
CC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010966108	0	32	-1.0	-50.41	310.16	3.41	-47.00
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C2	REAL300010966109	1	29	-1.0	-50.15	297.23	3.43	-46.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NN(C3CC3(F)F)C=C1)C2	REAL300010966110	0	34	-1.0	-55.24	319.13	3.32	-51.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300010966111	0	34	-1.0	-52.02	312.57	5.44	-46.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C2	REAL300010966112	0	34	-1.0	-51.56	322.89	5.89	-45.67
CP(C)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966113	0	39	-1.0	-59.31	354.66	3.75	-55.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C2	REAL300010966114	0	37	-1.0	-54.02	327.99	6.53	-47.49
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1Cl	REAL300010966115	0	33	-1.0	-54.37	322.05	5.77	-48.60
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C2	REAL300010966116	0	34	-1.0	-49.32	318.31	3.74	-45.58
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)F)=C1	REAL300010966117	0	37	-1.0	-55.42	321.16	4.85	-50.57
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)OC	REAL300010966118	0	43	-1.0	-56.81	378.44	5.81	-51.00
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1	REAL300010966119	0	43	-1.0	-56.77	373.83	6.71	-50.06
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966120	0	36	-1.0	-51.01	331.22	2.39	-48.62
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966121	0	36	-1.0	-52.42	341.28	6.22	-46.20
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966122	0	35	-1.0	-55.75	313.93	3.88	-51.87
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966123	0	36	-1.0	-59.84	326.70	5.76	-54.08
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NC3=CC=CC=C31)C2	REAL300010966124	0	35	-1.0	-53.44	311.27	4.61	-48.83
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1I)C2	REAL300010966125	0	30	-1.0	-52.58	295.96	5.44	-47.14
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966126	0	36	-1.0	-56.66	319.46	3.49	-53.17
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C=C1	REAL300010966127	0	41	-1.0	-56.31	371.17	5.18	-51.13
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C12	REAL300010966128	0	38	-1.0	-58.31	323.37	5.91	-52.40
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)C=NS1)C2	REAL300010966129	1	26	-1.0	-48.41	273.92	2.28	-46.13
NC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966130	0	32	-1.0	-50.40	310.88	2.68	-47.72
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300010966131	0	37	-1.0	-48.24	309.12	7.10	-41.14
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966132	0	32	-1.0	-49.19	302.33	3.63	-45.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C2	REAL300010966133	0	32	-1.0	-54.73	291.83	3.47	-51.26
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(Cl)S1	REAL300010966134	0	30	-1.0	-48.08	300.38	4.61	-43.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C2	REAL300010966135	0	32	-1.0	-57.38	304.49	3.23	-54.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC(C(F)(F)F)=CC=C31)C2	REAL300010966136	0	37	-1.0	-56.58	347.43	5.12	-51.46
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C2	REAL300010966137	0	47	-1.0	-48.85	340.55	8.80	-40.05
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966138	0	43	-1.0	-55.55	364.58	6.19	-49.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C2	REAL300010966139	1	35	-1.0	-52.73	324.66	3.23	-49.50
O=C([O-])C1(CNS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)CC1	REAL300010966140	0	35	-1.0	-51.01	321.40	6.69	-44.32
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300010966141	0	29	-1.0	-48.89	283.38	4.37	-44.52
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300010966142	0	29	-1.0	-49.58	278.57	4.50	-45.08
CC1=CC(C)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966143	0	41	-1.0	-48.40	322.65	6.32	-42.08
COC(=O)CC1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966144	0	38	-1.0	-52.96	328.02	4.23	-48.73
COC(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966145	0	35	-1.0	-58.14	306.13	5.25	-52.89
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966146	0	38	-1.0	-48.89	338.72	5.33	-43.56
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300010966147	0	29	-1.0	-51.34	278.47	4.40	-46.94
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966148	0	35	-1.0	-48.44	317.59	4.49	-43.95
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966149	0	41	-1.0	-48.56	338.29	6.07	-42.49
CCC(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966150	0	41	-1.0	-48.48	340.76	6.33	-42.15
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966151	0	46	-1.0	-51.94	398.85	3.45	-48.49
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966152	0	40	-1.0	-52.24	357.60	1.73	-50.51
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300010966153	0	33	-1.0	-51.44	297.83	0.56	-50.88
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966154	0	39	-1.0	-52.55	344.28	2.76	-49.79
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300010966155	0	31	-1.0	-47.24	291.51	4.61	-42.63
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300010966156	0	29	-1.0	-50.35	284.36	5.03	-45.32
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=C2Cl)CC1	REAL300010966157	0	29	-1.0	-48.70	284.58	4.55	-44.15
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966158	0	33	-1.0	-47.10	312.00	3.71	-43.39
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966159	0	40	-1.0	-64.23	338.65	2.46	-61.77
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010966160	0	29	-1.0	-49.18	272.51	3.76	-45.42
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010966161	0	29	-1.0	-47.62	295.08	4.90	-42.72
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300010966162	0	35	-1.0	-47.30	339.41	5.90	-41.40
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966163	0	41	-1.0	-54.55	371.13	5.17	-49.38
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966164	0	41	-1.0	-63.37	360.44	6.05	-57.32
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300010966165	0	29	-1.0	-49.88	276.62	4.15	-45.73
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CC1	REAL300010966166	0	32	-1.0	-48.99	300.22	5.75	-43.24
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010966167	0	32	-1.0	-46.46	301.59	4.93	-41.53
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1NC(C)=O	REAL300010966168	0	40	-1.0	-55.72	346.97	2.06	-53.66
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300010966169	0	33	-1.0	-45.46	308.08	3.54	-41.92
CC1=C(C)C(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1C	REAL300010966170	0	44	-1.0	-49.38	335.95	6.77	-42.61
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300010966171	0	38	-1.0	-49.15	324.90	3.68	-45.47
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966172	0	34	-1.0	-47.07	306.28	4.93	-42.14
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300010966173	0	26	-1.0	-48.42	275.22	3.61	-44.81
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1Cl	REAL300010966174	0	35	-1.0	-49.54	313.13	6.03	-43.51
COC1=CC=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966175	0	33	-1.0	-51.33	303.89	4.19	-47.14
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966176	0	47	-1.0	-47.78	368.02	7.75	-40.03
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300010966177	0	45	-1.0	-47.99	363.94	7.55	-40.44
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300010966178	0	32	-1.0	-46.02	300.83	4.74	-41.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300010966179	0	39	-1.0	-49.25	324.80	6.23	-43.02
COC1=CC=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966180	0	37	-1.0	-54.64	312.06	2.85	-51.79
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966181	0	37	-1.0	-49.48	320.81	2.95	-46.53
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CC1	REAL300010966182	0	39	-1.0	-51.13	359.34	3.33	-47.80
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966183	0	36	-1.0	-54.64	336.22	2.04	-52.60
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300010966184	0	37	-1.0	-49.32	316.60	6.18	-43.14
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966185	0	39	-1.0	-56.09	333.03	3.52	-52.57
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010966186	0	26	-1.0	-44.06	274.50	3.49	-40.57
CC(C)CCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966187	0	44	-1.0	-48.42	365.55	7.24	-41.18
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300010966188	0	35	-1.0	-53.40	303.11	6.10	-47.30
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300010966189	0	39	-1.0	-49.76	336.26	7.16	-42.60
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CC1	REAL300010966190	0	32	-1.0	-44.64	302.49	4.79	-39.85
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010966191	0	29	-1.0	-44.76	301.06	5.50	-39.26
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966192	0	44	-1.0	-48.26	352.52	6.53	-41.73
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966193	0	32	-1.0	-49.22	297.55	4.85	-44.37
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CC1	REAL300010966194	0	29	-1.0	-45.96	280.61	4.06	-41.90
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010966195	1	29	-1.0	-43.94	287.34	4.17	-39.77
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CC1	REAL300010966196	0	32	-1.0	-47.75	299.09	4.50	-43.25
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010966197	0	29	-1.0	-43.96	287.33	4.17	-39.79
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010966198	0	29	-1.0	-44.18	273.04	3.62	-40.56
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300010966199	0	32	-1.0	-44.05	306.40	4.80	-39.25
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300010966200	0	34	-1.0	-61.21	293.78	5.00	-56.21
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CC1	REAL300010966201	0	32	-1.0	-48.98	289.89	5.30	-43.68
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CC1	REAL300010966202	0	40	-1.0	-50.75	367.58	7.13	-43.62
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Cl)=C2F)CC1	REAL300010966203	0	29	-1.0	-52.39	276.07	4.13	-48.26
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C=C2Br)CC1	REAL300010966204	0	29	-1.0	-49.35	284.57	4.70	-44.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966205	0	35	-1.0	-47.84	310.81	4.24	-43.60
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966206	0	33	-1.0	-47.35	297.81	3.12	-44.23
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010966207	1	29	-1.0	-47.33	277.00	4.08	-43.25
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300010966208	0	29	-1.0	-44.00	289.09	4.41	-39.59
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300010966209	0	44	-1.0	-49.50	380.29	5.88	-43.62
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966210	0	36	-1.0	-51.21	332.25	3.26	-47.95
CC(C)OC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010966211	0	45	-1.0	-54.20	370.78	7.16	-47.04
CC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1Cl	REAL300010966212	0	32	-1.0	-49.80	302.82	5.59	-44.21
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300010966213	0	32	-1.0	-48.96	317.79	5.45	-43.51
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010966214	0	39	-1.0	-54.99	331.01	5.59	-49.40
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010966215	0	36	-1.0	-48.74	312.69	1.19	-47.55
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010966216	0	37	-1.0	-52.11	323.90	1.12	-50.99
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966217	0	34	-1.0	-43.87	305.02	5.31	-38.56
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966218	0	36	-1.0	-59.01	316.22	2.51	-56.50
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966219	0	34	-1.0	-52.21	298.72	5.29	-46.92
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966220	0	35	-1.0	-46.88	333.59	4.91	-41.97
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=N2)CC1	REAL300010966221	0	28	-1.0	-47.65	276.50	2.65	-45.00
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966222	0	38	-1.0	-60.76	347.12	1.94	-58.82
CC(=O)NC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1F	REAL300010966223	0	36	-1.0	-52.22	323.80	2.75	-49.47
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C21	REAL300010966224	0	43	-1.0	-59.99	355.04	5.38	-54.61
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1C	REAL300010966225	0	39	-1.0	-47.96	322.02	4.57	-43.39
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2Br)CC1	REAL300010966226	0	29	-1.0	-50.80	284.57	4.70	-46.10
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C21	REAL300010966227	0	40	-1.0	-49.33	345.38	3.26	-46.07
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Br)C=C2)CC1	REAL300010966228	0	32	-1.0	-49.53	307.17	5.11	-44.42
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C(Cl)=C2)CC1	REAL300010966229	0	29	-1.0	-44.03	298.21	4.82	-39.21
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966230	0	42	-1.0	-56.60	365.49	3.53	-53.07
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966231	0	43	-1.0	-57.56	364.78	2.58	-54.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966232	0	37	-1.0	-44.68	322.00	6.20	-38.48
CC(C)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966233	0	41	-1.0	-48.49	343.28	6.43	-42.06
COCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966234	0	39	-1.0	-48.98	338.66	4.25	-44.73
COCCN(CCOC)S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966235	0	41	-1.0	-47.16	335.77	0.97	-46.19
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966236	0	32	-1.0	-44.90	293.48	5.16	-39.74
CC(C)CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966237	0	45	-1.0	-47.77	373.99	6.07	-41.70
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300010966238	0	43	-1.0	-48.36	356.73	5.96	-42.40
CC(C)COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966239	0	42	-1.0	-48.44	355.04	5.46	-42.98
CCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966240	0	39	-1.0	-48.51	334.94	4.77	-43.74
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966241	0	33	-1.0	-47.08	307.61	3.60	-43.48
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300010966242	0	33	-1.0	-48.29	317.36	3.87	-44.42
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300010966243	0	42	-1.0	-48.40	351.43	5.33	-43.07
COCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966244	0	40	-1.0	-50.38	347.05	3.24	-47.14
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966245	0	40	-1.0	-60.24	352.83	3.41	-56.83
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CC1	REAL300010966246	0	44	-1.0	-52.99	366.76	3.19	-49.80
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010966247	0	32	-1.0	-49.12	299.98	5.17	-43.95
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966248	0	35	-1.0	-59.66	323.99	1.46	-58.20
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966249	0	35	-1.0	-58.85	322.49	5.91	-52.94
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300010966250	0	34	-1.0	-50.14	303.05	4.13	-46.01
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966251	0	35	-1.0	-46.82	338.15	5.01	-41.81
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966252	0	33	-1.0	-48.71	299.75	4.20	-44.51
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966253	0	33	-1.0	-45.63	306.38	4.49	-41.14
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966254	0	46	-1.0	-52.24	400.12	2.92	-49.32
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1OC	REAL300010966255	0	39	-1.0	-50.04	344.18	4.45	-45.59
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966256	0	38	-1.0	-47.53	332.88	4.93	-42.60
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966257	0	39	-1.0	-51.32	332.41	-0.67	-51.99
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300010966258	0	38	-1.0	-54.66	330.77	3.81	-50.85
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300010966259	0	38	-1.0	-51.08	335.49	5.01	-46.07
CCN1N=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966260	0	38	-1.0	-48.43	319.30	3.60	-44.83
CC(C)CN1C=NC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966261	0	38	-1.0	-53.54	324.64	4.88	-48.66
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966262	0	41	-1.0	-49.38	313.57	6.15	-43.23
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300010966263	0	42	-1.0	-58.15	365.89	6.84	-51.31
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966264	0	37	-1.0	-54.85	328.18	3.16	-51.69
O=C([O-])C1(CNS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1	REAL300010966266	0	36	-1.0	-52.51	327.04	5.02	-47.49
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1F	REAL300010966267	0	35	-1.0	-49.29	322.58	4.22	-45.07
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010966268	0	33	-1.0	-47.80	307.68	3.62	-44.18
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010966269	0	39	-1.0	-45.72	358.03	5.83	-39.89
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(Br)O1	REAL300010966270	0	32	-1.0	-47.30	310.71	2.88	-44.42
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C(Br)S1	REAL300010966271	0	29	-1.0	-48.74	292.03	4.45	-44.29
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN1	REAL300010966272	0	33	-1.0	-55.81	305.48	2.08	-53.73
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966273	0	30	-1.0	-44.99	298.29	4.55	-40.44
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966274	0	37	-1.0	-61.24	311.36	6.64	-54.60
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966275	0	35	-1.0	-55.58	318.01	4.59	-50.99
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966276	0	38	-1.0	-53.52	337.55	2.18	-51.34
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300010966277	0	33	-1.0	-50.64	304.21	5.62	-45.02
N#CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010966278	0	30	-1.0	-44.97	298.32	4.55	-40.42
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966279	0	45	-1.0	-53.16	374.30	5.51	-47.65
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CC1	REAL300010966280	0	40	-1.0	-53.56	350.13	3.72	-49.84
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300010966281	0	41	-1.0	-52.43	371.12	1.63	-50.80
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966282	0	37	-1.0	-52.84	338.71	-0.10	-52.94
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966283	0	39	-1.0	-60.28	357.70	2.81	-57.47
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)O1	REAL300010966284	0	32	-1.0	-46.16	301.62	2.53	-43.63
COC(=O)C1=C(C)OC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966285	0	35	-1.0	-47.49	321.58	3.26	-44.23
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010966286	1	31	-1.0	-61.44	287.48	5.44	-56.00
O=C([O-])C1(CNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010966287	0	32	-1.0	-48.86	319.34	5.49	-43.37
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(C)N1	REAL300010966288	0	42	-1.0	-47.64	356.04	4.36	-43.28
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010966289	0	29	-1.0	-50.51	281.73	4.67	-45.84
CC1=NC(C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)S2)=CS1	REAL300010966290	0	35	-1.0	-52.10	341.07	4.43	-47.67
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300010966291	0	49	-1.0	-48.53	396.67	7.36	-41.17
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CC1	REAL300010966292	0	39	-1.0	-57.03	359.34	3.32	-53.71
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(I)=C2)CC1	REAL300010966293	0	29	-1.0	-48.57	289.86	4.84	-43.73
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966294	0	38	-1.0	-48.49	331.47	5.29	-43.20
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010966295	0	31	-1.0	-56.04	296.33	5.75	-50.29
COC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966296	0	37	-1.0	-49.13	319.03	2.71	-46.42
COC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966297	0	40	-1.0	-46.95	336.40	3.74	-43.21
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010966298	1	31	-1.0	-52.67	311.94	6.47	-46.20
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CC1	REAL300010966299	0	32	-1.0	-50.85	301.60	4.65	-46.20
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966300	0	30	-1.0	-52.10	283.92	4.14	-47.96
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010966301	0	35	-1.0	-51.49	332.87	5.29	-46.20
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966302	0	32	-1.0	-49.24	301.58	4.94	-44.30
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C(C=C2Br)NC(=O)N3)CC1	REAL300010966303	0	33	-1.0	-52.41	313.82	1.45	-50.96
COC(=O)CN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966304	0	35	-1.0	-53.68	321.43	2.51	-51.17
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300010966305	0	35	-1.0	-51.48	317.06	6.66	-44.82
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300010966306	0	34	-1.0	-48.43	312.21	5.90	-42.53
CC1=C(Br)SC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966307	0	29	-1.0	-48.31	294.83	4.20	-44.11
CC1=C(Br)C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966308	0	34	-1.0	-47.50	324.15	5.44	-42.06
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC(F)=C1F	REAL300010966309	0	35	-1.0	-46.60	327.69	4.48	-42.12
O=C([O-])C1(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300010966310	0	47	-1.0	-47.26	347.33	5.30	-41.96
CC1=NC2=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300010966311	0	37	-1.0	-57.83	315.29	5.42	-52.41
O=C([O-])C1(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300010966312	0	40	-1.0	-48.52	339.23	2.28	-46.24
CC1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1Br	REAL300010966313	0	32	-1.0	-49.73	296.76	5.07	-44.66
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966314	0	35	-1.0	-58.98	320.40	5.11	-53.87
O=C([O-])C1(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300010966315	0	37	-1.0	-50.11	320.13	1.49	-48.62
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010966316	0	35	-1.0	-47.43	317.61	4.49	-42.94
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966317	0	35	-1.0	-44.56	315.49	5.64	-38.92
COCCN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966318	0	36	-1.0	-48.25	321.83	1.36	-46.89
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010966319	0	35	-1.0	-46.25	333.14	4.87	-41.38
CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010966320	0	42	-1.0	-51.44	353.29	6.38	-45.06
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966321	0	39	-1.0	-52.69	324.89	5.12	-47.57
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300010966322	0	34	-1.0	-55.51	310.41	3.91	-51.60
O=C([O-])C1(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300010966323	0	36	-1.0	-50.03	322.64	4.86	-45.17
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(F)C=C3)C=C2)CC1	REAL300010966324	0	43	-1.0	-53.21	380.54	5.81	-47.40
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)CC1	REAL300010966325	0	31	-1.0	-44.54	306.48	4.87	-39.67
CCOCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966326	0	43	-1.0	-50.41	368.91	4.20	-46.21
CCCCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966327	0	45	-1.0	-48.52	377.93	6.33	-42.19
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010966328	0	31	-1.0	-60.10	295.26	5.98	-54.12
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1F	REAL300010966329	0	35	-1.0	-47.42	321.41	4.42	-43.00
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300010966330	0	35	-1.0	-45.36	330.98	4.84	-40.52
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966331	0	39	-1.0	-57.10	337.26	4.22	-52.88
COC(=O)C1=CSC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966332	0	32	-1.0	-54.10	309.66	3.54	-50.56
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966333	0	41	-1.0	-47.81	349.32	5.73	-42.08
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1C	REAL300010966334	0	38	-1.0	-50.44	332.92	4.93	-45.51
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966335	0	35	-1.0	-56.65	314.62	4.28	-52.37
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300010966336	0	39	-1.0	-48.83	317.69	6.44	-42.39
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300010966337	0	35	-1.0	-49.94	310.46	5.55	-44.39
O=C([O-])C1(CNS(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300010966338	0	28	-1.0	-45.52	278.40	2.54	-42.98
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300010966339	0	33	-1.0	-45.37	318.47	5.21	-40.16
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966340	0	43	-1.0	-50.27	373.17	1.67	-48.60
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C(Br)=C2)CC1	REAL300010966341	0	29	-1.0	-44.06	289.09	4.41	-39.65
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300010966342	0	36	-1.0	-60.49	326.68	1.60	-58.89
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966343	0	32	-1.0	-46.52	295.58	5.05	-41.47
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010966344	0	33	-1.0	-46.59	312.01	3.71	-42.88
CC1(C)CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010966345	0	40	-1.0	-49.16	339.51	5.00	-44.16
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966346	0	37	-1.0	-51.74	341.02	0.52	-51.22
CCC(=O)NCC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1OC	REAL300010966347	0	46	-1.0	-52.39	392.99	2.91	-49.48
COC1=CC=C(Br)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966348	0	33	-1.0	-53.64	307.64	3.93	-49.71
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966349	0	38	-1.0	-54.20	344.25	2.15	-52.05
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CC1	REAL300010966350	0	31	-1.0	-46.42	310.35	3.65	-42.77
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966351	0	34	-1.0	-60.77	305.98	4.42	-56.35
N#CC1=CC(Br)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966352	0	30	-1.0	-46.33	304.21	4.75	-41.58
CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966353	0	36	-1.0	-46.70	333.84	4.64	-42.06
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CC1	REAL300010966354	0	34	-1.0	-46.31	312.75	-0.79	-47.10
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2S1	REAL300010966355	0	43	-1.0	-48.84	375.08	5.69	-43.15
COC(=O)CC1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966356	0	38	-1.0	-52.96	328.02	4.23	-48.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966357	0	34	-1.0	-54.19	319.00	3.87	-50.32
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300010966358	0	37	-1.0	-55.75	325.73	5.00	-50.75
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966359	0	45	-1.0	-59.24	398.53	2.41	-56.83
O=C([O-])C1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300010966360	0	35	-1.0	-56.58	305.98	0.19	-56.39
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966361	0	39	-1.0	-50.57	342.33	4.65	-45.92
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300010966362	0	34	-1.0	-54.57	310.35	3.92	-50.65
CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1	REAL300010966363	0	39	-1.0	-47.29	328.17	4.89	-42.40
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966364	0	37	-1.0	-52.91	338.69	-0.09	-53.00
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966365	0	38	-1.0	-57.68	333.64	5.51	-52.17
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300010966366	0	33	-1.0	-52.09	292.41	3.84	-48.25
CSC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966367	0	33	-1.0	-49.01	302.29	4.77	-44.24
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966368	0	41	-1.0	-48.71	360.22	6.12	-42.59
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)CC1	REAL300010966369	0	35	-1.0	-48.36	323.02	3.66	-44.70
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300010966370	0	35	-1.0	-50.25	324.61	5.48	-44.77
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966371	0	40	-1.0	-49.70	330.31	5.42	-44.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)N=C2Cl)CC1	REAL300010966372	0	28	-1.0	-44.91	275.81	2.36	-42.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300010966373	0	35	-1.0	-52.56	296.56	3.31	-49.25
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)CC1	REAL300010966374	0	34	-1.0	-53.41	297.82	4.34	-49.07
CC1=CC=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966375	0	32	-1.0	-44.74	298.04	5.27	-39.47
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300010966376	0	37	-1.0	-51.00	321.90	2.93	-48.07
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966377	0	45	-1.0	-55.34	377.22	4.68	-50.66
COC1=CC(Br)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966378	0	37	-1.0	-47.39	337.24	3.71	-43.68
CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OCC	REAL300010966379	0	43	-1.0	-49.04	364.52	4.79	-44.25
CN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010966380	0	35	-1.0	-62.55	309.04	2.75	-59.80
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966381	0	34	-1.0	-53.44	316.28	-1.31	-54.75
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300010966382	0	40	-1.0	-53.53	339.89	4.86	-48.67
CC(=O)N1CCCC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966383	0	43	-1.0	-55.38	355.16	5.36	-50.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966384	0	37	-1.0	-43.51	323.38	5.76	-37.75
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966385	0	35	-1.0	-49.24	316.86	4.41	-44.83
CC(=O)N1CCC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966386	0	40	-1.0	-59.10	341.34	4.79	-54.31
CNC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966387	0	36	-1.0	-53.83	318.53	2.02	-51.81
CC(=O)N1C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2CC1C	REAL300010966388	0	43	-1.0	-54.20	356.45	5.32	-48.88
COC(=O)C1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=CS1	REAL300010966389	0	32	-1.0	-60.22	300.54	4.30	-55.92
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966390	0	32	-1.0	-49.97	309.49	3.64	-46.33
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010966391	0	33	-1.0	-45.07	318.73	4.93	-40.14
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966392	0	35	-1.0	-58.92	314.07	2.30	-56.62
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)CC1	REAL300010966393	0	35	-1.0	-51.35	318.63	0.74	-50.61
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CC1	REAL300010966394	0	35	-1.0	-49.23	312.81	0.98	-48.25
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)CC1	REAL300010966395	0	35	-1.0	-49.02	314.40	1.03	-47.99
CC1=CC2=CC=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=C2N=C1	REAL300010966396	0	37	-1.0	-60.55	315.25	5.64	-54.91
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300010966397	0	35	-1.0	-59.49	309.06	4.52	-54.97
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966398	0	33	-1.0	-49.16	299.32	4.09	-45.07
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300010966399	0	33	-1.0	-48.51	299.15	4.07	-44.44
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966400	0	34	-1.0	-52.98	316.27	-1.31	-54.29
COC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966401	0	35	-1.0	-55.81	316.87	4.40	-51.41
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CC1	REAL300010966402	0	41	-1.0	-57.14	371.09	1.59	-55.55
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010966403	0	34	-1.0	-51.29	314.09	5.16	-46.13
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Cl)=C1	REAL300010966404	0	32	-1.0	-48.78	285.15	4.47	-44.31
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)CC1	REAL300010966405	0	35	-1.0	-56.02	317.58	0.12	-55.90
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966406	0	35	-1.0	-56.19	322.79	1.26	-54.93
CN1C(=O)C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2C1=O	REAL300010966407	0	36	-1.0	-51.04	327.70	3.00	-48.04
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966408	0	37	-1.0	-51.42	329.00	5.30	-46.12
O=C([O-])C1(CNS(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300010966409	0	38	-1.0	-48.99	314.71	4.89	-44.10
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300010966410	0	37	-1.0	-50.48	318.35	5.04	-45.44
CN1C(=O)OC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966411	0	35	-1.0	-49.07	316.21	3.70	-45.37
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CC1	REAL300010966412	0	34	-1.0	-51.53	309.77	5.24	-46.29
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966413	0	37	-1.0	-60.22	318.00	6.43	-53.79
CCOC(=O)C1CCCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)C1	REAL300010966414	0	43	-1.0	-52.06	356.64	4.46	-47.60
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966415	0	33	-1.0	-46.05	325.37	4.78	-41.27
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300010966416	0	33	-1.0	-48.32	308.07	3.54	-44.78
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966417	0	40	-1.0	-51.95	357.59	1.73	-50.22
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C=C2Cl)CC1	REAL300010966418	0	29	-1.0	-48.81	269.68	4.00	-44.81
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010966419	0	31	-1.0	-55.48	296.20	5.76	-49.72
O=C([O-])C1(CNS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300010966420	0	41	-1.0	-53.46	348.01	3.08	-50.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300010966421	0	39	-1.0	-50.13	315.77	6.78	-43.35
CCOC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966422	0	38	-1.0	-55.38	338.74	5.32	-50.06
CCOC(=O)N1CCC(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966423	0	43	-1.0	-53.97	357.26	3.72	-50.25
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300010966424	0	29	-1.0	-46.08	283.39	4.36	-41.72
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010966425	0	31	-1.0	-46.07	290.31	4.41	-41.66
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300010966426	0	35	-1.0	-50.61	308.03	6.02	-44.59
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966427	0	36	-1.0	-56.38	318.15	2.63	-53.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966428	0	34	-1.0	-44.92	305.08	5.32	-39.60
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010966429	0	31	-1.0	-61.73	279.46	5.23	-56.50
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966430	0	36	-1.0	-51.07	324.75	5.08	-45.99
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300010966431	0	35	-1.0	-51.82	306.58	2.90	-48.92
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966432	0	44	-1.0	-47.26	353.06	6.98	-40.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300010966433	0	29	-1.0	-44.07	294.00	4.72	-39.35
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300010966434	0	29	-1.0	-50.73	280.01	4.45	-46.28
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CC1=NC(C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2)=CO1	REAL300010966440	0	38	-1.0	-54.38	338.48	2.80	-51.58
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COC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966442	0	33	-1.0	-53.81	292.76	3.23	-50.58
COC(=O)C1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300010966443	0	38	-1.0	-56.88	348.25	6.30	-50.58
COC(=O)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966444	0	38	-1.0	-53.56	339.05	5.18	-48.38
CC1=CC=C(N2C=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=N2)C=C1	REAL300010966445	0	39	-1.0	-51.75	344.05	5.53	-46.22
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C21	REAL300010966446	0	40	-1.0	-59.52	340.91	4.77	-54.75
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COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(=O)N(C)C	REAL300010966448	0	43	-1.0	-52.48	364.79	3.50	-48.98
CC1CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300010966449	0	37	-1.0	-49.81	335.86	4.86	-44.95
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300010966450	0	34	-1.0	-46.07	306.29	4.93	-41.14
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300010966451	0	43	-1.0	-47.44	376.96	6.36	-41.08
COC(=O)C1=COC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966452	0	32	-1.0	-51.75	301.96	2.48	-49.27
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966453	0	40	-1.0	-53.09	349.82	4.50	-48.59
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CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966455	0	39	-1.0	-54.03	329.46	3.95	-50.08
CC(=O)NC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1C	REAL300010966456	0	39	-1.0	-64.58	336.70	3.55	-61.03
CN1CCCC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C21	REAL300010966457	0	41	-1.0	-51.88	336.30	4.29	-47.59
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN=C1Cl	REAL300010966458	0	31	-1.0	-47.57	292.73	2.96	-44.61
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CC(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966460	0	38	-1.0	-51.38	334.61	5.52	-45.86
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC(OC)=C1	REAL300010966461	0	37	-1.0	-51.22	321.07	2.35	-48.87
CN1C=NC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966462	0	35	-1.0	-58.33	310.35	5.09	-53.24
CCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1CC	REAL300010966463	0	41	-1.0	-49.61	339.09	6.31	-43.30
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966464	0	37	-1.0	-44.73	312.99	5.77	-38.96
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(C)O1	REAL300010966465	0	35	-1.0	-50.97	321.24	3.41	-47.56
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966466	0	30	-1.0	-47.77	283.87	1.76	-46.01
COC(=O)C1=NSC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966467	0	31	-1.0	-58.02	294.12	2.75	-55.27
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC(C)=C1F	REAL300010966468	0	35	-1.0	-46.49	309.11	5.08	-41.41
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CC1	REAL300010966469	0	37	-1.0	-61.99	321.65	2.20	-59.79
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN1C	REAL300010966470	0	36	-1.0	-56.95	323.25	3.83	-53.12
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC(Cl)=C2)CC1	REAL300010966471	0	29	-1.0	-45.00	285.22	4.33	-40.67
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966472	0	40	-1.0	-48.17	344.52	5.57	-42.60
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CN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010966474	0	34	-1.0	-52.20	304.33	-0.11	-52.31
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966475	0	32	-1.0	-44.56	293.58	5.16	-39.40
CCOC(=O)C1CCCN1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966476	0	40	-1.0	-54.18	337.69	4.49	-49.69
CNC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN1C	REAL300010966477	0	37	-1.0	-52.49	326.27	1.38	-51.11
COC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1	REAL300010966478	0	39	-1.0	-48.72	321.40	4.78	-43.94
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)CC1	REAL300010966479	0	37	-1.0	-51.84	323.53	2.99	-48.85
COC(=O)C1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966480	0	38	-1.0	-52.24	340.68	5.15	-47.09
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COC(=O)C1=CC=CC(CS(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966482	0	38	-1.0	-53.93	340.69	5.14	-48.79
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)O1	REAL300010966483	0	35	-1.0	-45.93	323.49	3.46	-42.47
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300010966484	0	40	-1.0	-50.51	346.30	7.86	-42.65
COC(=O)COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966485	0	39	-1.0	-52.23	347.93	4.66	-47.57
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966486	0	42	-1.0	-52.17	368.89	4.81	-47.36
COC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966487	0	39	-1.0	-52.26	325.91	4.83	-47.43
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3COC(=O)C3=C2)CC1	REAL300010966488	0	33	-1.0	-60.35	299.97	4.24	-56.11
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010966489	0	32	-1.0	-52.55	299.80	5.89	-46.66
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CC1	REAL300010966490	0	31	-1.0	-55.76	300.89	5.85	-49.91
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966491	0	34	-1.0	-62.11	296.27	5.96	-56.15
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)CC1	REAL300010966492	0	31	-1.0	-47.83	306.39	5.31	-42.52
O=C([O-])C1(CNS(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010966493	0	26	-1.0	-47.02	270.23	3.17	-43.85
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C2COC3=O)CC1	REAL300010966494	0	33	-1.0	-48.66	299.84	4.11	-44.55
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300010966495	0	37	-1.0	-49.43	308.02	4.93	-44.50
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)N=C2)CC1	REAL300010966496	0	31	-1.0	-51.79	297.59	3.12	-48.67
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O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300010966498	0	34	-1.0	-56.90	298.02	4.44	-52.46
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010966499	0	28	-1.0	-47.12	279.83	2.66	-44.46
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CC1	REAL300010966500	0	31	-1.0	-48.22	288.11	4.30	-43.92
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)CC1	REAL300010966501	0	31	-1.0	-46.66	306.49	4.86	-41.80
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966502	0	38	-1.0	-56.65	340.86	2.25	-54.40
CCN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010966503	0	34	-1.0	-61.28	312.18	4.63	-56.65
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010966504	0	31	-1.0	-61.67	293.91	5.29	-56.38
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CC1	REAL300010966505	0	31	-1.0	-43.65	296.70	4.48	-39.17
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300010966506	0	36	-1.0	-48.69	333.00	4.43	-44.26
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300010966507	0	31	-1.0	-55.14	300.77	5.86	-49.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300010966508	0	43	-1.0	-50.05	373.34	7.03	-43.02
CC1(C)C2CCC1(CS(=O)(=O)NCC1(C(=O)[O-])CC1)C(=O)C2	REAL300010966509	0	44	-1.0	-59.09	339.01	6.22	-52.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966510	0	37	-1.0	-58.04	337.10	0.26	-57.78
CCC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966511	0	37	-1.0	-59.64	325.17	5.01	-54.63
CCOC(=O)N1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966512	0	42	-1.0	-49.47	347.70	2.49	-46.98
COC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=C(Cl)N=C2C=C1	REAL300010966513	0	38	-1.0	-52.15	341.11	4.99	-47.16
O=C([O-])C1(CNS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300010966514	0	39	-1.0	-49.32	348.05	5.31	-44.01
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966515	0	51	-1.0	-46.88	396.66	6.57	-40.31
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966516	0	35	-1.0	-54.94	332.89	5.29	-49.65
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966517	0	37	-1.0	-53.23	335.66	0.45	-52.78
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1F	REAL300010966518	0	35	-1.0	-51.82	327.18	1.29	-50.53
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(F)C=C1F	REAL300010966519	0	32	-1.0	-45.50	287.06	4.20	-41.30
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966520	0	36	-1.0	-51.76	322.09	4.77	-46.99
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966521	0	41	-1.0	-50.10	352.79	5.27	-44.83
CC1=CN(C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2F)N=C1	REAL300010966522	0	39	-1.0	-48.17	345.68	5.60	-42.57
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966523	0	36	-1.0	-54.91	335.19	2.82	-52.09
CCS(=O)(=O)NCCS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966524	0	36	-1.0	-57.00	325.95	-1.51	-58.51
CC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966525	0	32	-1.0	-51.58	286.65	4.34	-47.24
CC1=CC(Cl)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966526	0	34	-1.0	-48.76	307.96	4.99	-43.77
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300010966527	0	35	-1.0	-48.79	317.73	4.84	-43.95
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)SC(Br)=C2)CC1	REAL300010966528	0	26	-1.0	-43.94	279.14	3.59	-40.35
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CC1	REAL300010966529	0	41	-1.0	-50.53	355.79	5.73	-44.80
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CC=C2F)CC1	REAL300010966530	0	29	-1.0	-51.65	281.18	4.26	-47.39
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010966531	0	35	-1.0	-46.28	316.50	5.26	-41.02
O=C([O-])C1(CNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300010966532	0	35	-1.0	-49.86	332.22	4.68	-45.18
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C12	REAL300010966533	0	37	-1.0	-50.62	328.40	3.47	-47.15
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966534	0	36	-1.0	-51.51	330.74	4.35	-47.16
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Br)C=C2F)CC1	REAL300010966535	0	32	-1.0	-51.22	312.45	5.11	-46.11
CC1=NOC2=NC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C12	REAL300010966536	0	33	-1.0	-47.61	301.83	0.72	-46.89
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(CCCCl)C=C2)CC1	REAL300010966537	0	38	-1.0	-50.32	343.64	6.58	-43.74
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)N=C2)CC1	REAL300010966538	0	31	-1.0	-51.79	297.59	3.12	-48.67
O=C([O-])C1(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CC1	REAL300010966539	0	31	-1.0	-51.18	306.39	5.31	-45.87
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966540	0	35	-1.0	-59.03	312.16	5.46	-53.57
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300010966541	0	32	-1.0	-51.94	299.34	4.90	-47.04
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300010966542	0	41	-1.0	-59.56	358.64	2.26	-57.30
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CN=C2S1	REAL300010966543	0	43	-1.0	-47.34	386.49	5.36	-41.98
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300010966544	0	36	-1.0	-50.18	331.87	4.28	-45.90
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CC=C2Cl)CC1	REAL300010966545	0	29	-1.0	-50.62	284.57	4.56	-46.06
COC1=CC(OC)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966546	0	37	-1.0	-52.34	332.42	3.55	-48.79
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CN=C21	REAL300010966547	0	37	-1.0	-49.82	331.43	1.21	-48.61
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1F	REAL300010966548	0	38	-1.0	-47.15	343.28	5.35	-41.80
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300010966549	0	37	-1.0	-57.37	323.57	4.40	-52.97
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300010966550	0	32	-1.0	-49.91	317.25	5.81	-44.10
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300010966551	0	35	-1.0	-51.47	325.93	6.49	-44.98
O=C([O-])C1(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300010966552	0	32	-1.0	-47.82	304.90	5.14	-42.68
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)CC1	REAL300010966553	0	35	-1.0	-52.94	308.72	6.56	-46.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300010966554	0	35	-1.0	-58.36	319.39	6.74	-51.62
COC1=CC(Br)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966555	0	33	-1.0	-44.97	324.05	4.36	-40.61
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010966556	0	43	-1.0	-51.93	375.57	5.98	-45.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966557	0	35	-1.0	-52.81	327.19	1.28	-51.53
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966558	0	42	-1.0	-55.29	368.62	5.27	-50.02
O=C([O-])C1(CNS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300010966559	0	40	-1.0	-55.39	362.09	0.80	-54.59
N#CC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966560	1	30	-1.0	-48.28	291.38	4.41	-43.87
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1N(C)C	REAL300010966561	0	40	-1.0	-49.78	336.69	4.40	-45.38
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966562	0	34	-1.0	-41.44	318.38	5.58	-35.86
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966563	0	32	-1.0	-52.82	292.34	3.91	-48.91
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966564	0	35	-1.0	-57.16	322.50	5.90	-51.26
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966565	0	41	-1.0	-53.04	339.19	4.38	-48.66
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966566	0	35	-1.0	-55.25	322.79	1.26	-53.99
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300010966567	0	45	-1.0	-52.03	381.74	1.41	-50.62
CCOC(=O)C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966568	0	43	-1.0	-49.52	356.78	4.50	-45.02
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966569	0	37	-1.0	-57.20	315.63	5.51	-51.69
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)CC1	REAL300010966570	0	44	-1.0	-51.77	384.02	2.87	-48.90
CCC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966571	0	39	-1.0	-56.15	338.74	3.45	-52.70
O=C([O-])C1(CNS(=O)(=O)CC2=CC(Cl)=CC=C2F)CC1	REAL300010966572	0	32	-1.0	-49.98	307.92	5.03	-44.95
O=C([O-])C1(CNS(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010966573	0	30	-1.0	-62.07	276.19	4.56	-57.51
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966574	0	38	-1.0	-58.75	330.64	5.54	-53.21
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2Cl)CC1	REAL300010966575	0	29	-1.0	-51.06	269.68	4.00	-47.06
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966576	0	48	-1.0	-59.36	371.50	7.08	-52.28
O=C([O-])C1(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300010966577	0	32	-1.0	-50.62	312.89	5.35	-45.27
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966578	0	36	-1.0	-51.40	330.48	3.01	-48.39
CC1CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010966579	0	37	-1.0	-49.42	319.00	4.32	-45.10
COC1=CC(Cl)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966580	0	33	-1.0	-47.11	309.23	3.66	-43.45
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966581	0	41	-1.0	-50.56	349.83	2.75	-47.81
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CS1	REAL300010966582	0	32	-1.0	-48.16	309.36	3.42	-44.74
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966583	0	38	-1.0	-52.82	344.84	6.25	-46.57
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300010966584	0	40	-1.0	-49.17	367.49	7.11	-42.06
COC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966585	0	38	-1.0	-53.49	326.60	5.07	-48.42
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CC1	REAL300010966586	0	31	-1.0	-43.40	311.59	5.04	-38.36
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966587	0	33	-1.0	-46.91	317.79	4.38	-42.53
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966588	0	41	-1.0	-48.60	340.18	4.38	-44.22
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300010966589	0	31	-1.0	-46.95	290.30	4.41	-42.54
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2)=C1	REAL300010966590	0	43	-1.0	-48.77	372.19	7.27	-41.50
CN(CCS(=O)(=O)NCC1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010966591	0	43	-1.0	-52.63	388.08	2.75	-49.88
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)CC1	REAL300010966592	0	32	-1.0	-52.95	293.82	1.24	-51.71
CN1C(=O)CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966593	0	37	-1.0	-53.37	324.45	4.29	-49.08
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(I)C=C2)CC1	REAL300010966594	0	29	-1.0	-45.95	289.87	4.83	-41.12
COC(=O)C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966595	0	40	-1.0	-51.53	332.93	3.45	-48.08
COC1=C(C)C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966596	0	39	-1.0	-48.87	335.66	4.63	-44.24
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(C(=O)OC)S1	REAL300010966597	0	38	-1.0	-53.51	357.34	4.97	-48.54
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)N=C3SC=CN32)CC1	REAL300010966598	0	29	-1.0	-51.41	293.69	3.98	-47.43
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)CC1	REAL300010966599	0	42	-1.0	-52.18	384.39	5.77	-46.41
O=C([O-])C1(CNS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)CC1	REAL300010966600	0	38	-1.0	-54.26	340.81	5.60	-48.66
O=C([O-])C1(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300010966601	0	35	-1.0	-51.42	325.83	4.61	-46.81
O=C([O-])C1(CNS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300010966602	0	35	-1.0	-49.50	342.56	5.13	-44.37
O=C([O-])C1(CNS(=O)(=O)CCOCC(F)(F)F)CC1	REAL300010966603	0	32	-1.0	-49.54	301.04	1.92	-47.62
CC1=NC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2O1	REAL300010966604	0	34	-1.0	-51.18	305.73	1.40	-49.78
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966605	0	41	-1.0	-47.36	319.43	6.93	-40.43
CC1=CC(Br)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966607	0	29	-1.0	-47.08	292.11	3.97	-43.11
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)CC1	REAL300010966608	0	34	-1.0	-52.19	317.58	4.45	-47.74
CC1=C(Br)SC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300010966609	1	28	-1.0	-45.94	285.18	1.74	-44.20
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966610	0	34	-1.0	-41.68	310.44	5.23	-36.45
O=C([O-])C1(CNS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)CC1	REAL300010966611	0	33	-1.0	-48.88	314.85	2.61	-46.27
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010966612	0	34	-1.0	-60.00	306.53	5.65	-54.35
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010966613	0	37	-1.0	-59.70	326.83	5.64	-54.06
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010966614	0	37	-1.0	-52.14	335.55	5.92	-46.22
CC1=NN2C=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=NC2=C1Cl	REAL300010966615	0	34	-1.0	-48.19	321.52	3.60	-44.59
CCCCCCN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300010966616	0	47	-1.0	-49.94	393.08	4.35	-45.59
O=C([O-])C1(CNS(=O)(=O)CC2=C(F)C=CC=C2F)CC1	REAL300010966618	0	32	-1.0	-53.26	296.47	4.51	-48.75
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCC4(C(=O)[O-])CC4)C=CC1=C23	REAL300010966619	0	40	-1.0	-54.18	347.51	5.80	-48.38
N#CC1=CC=C(F)C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966620	0	33	-1.0	-52.63	312.04	4.90	-47.73
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1F	REAL300010966621	0	34	-1.0	-44.43	315.12	5.07	-39.36
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966622	0	35	-1.0	-57.13	312.17	5.46	-51.67
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010966623	0	44	-1.0	-57.36	377.40	1.20	-56.16
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966624	1	44	-1.0	-58.23	381.46	1.15	-57.08
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966625	0	43	-1.0	-50.52	383.99	2.20	-48.32
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)CC1	REAL300010966626	0	43	-1.0	-56.34	367.96	4.94	-51.40
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CC1	REAL300010966627	0	32	-1.0	-62.04	299.34	3.60	-58.44
CC1=CC=C(Br)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966628	0	32	-1.0	-48.94	299.98	5.17	-43.77
CC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966629	0	32	-1.0	-49.04	285.15	4.47	-44.57
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(F)C=C2F)CC1	REAL300010966630	0	32	-1.0	-51.58	297.56	4.56	-47.02
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966631	0	40	-1.0	-50.74	362.49	1.41	-49.33
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010966632	0	28	-1.0	-47.50	279.62	3.12	-44.38
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=CC=C21	REAL300010966633	0	40	-1.0	-48.97	348.65	4.80	-44.17
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)C=C2Br)CC1	REAL300010966634	0	32	-1.0	-49.18	319.28	5.53	-43.65
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966635	0	37	-1.0	-60.53	334.26	1.87	-58.66
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CC1	REAL300010966636	0	29	-1.0	-47.59	293.82	5.34	-42.25
O=C([O-])C1(CNS(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010966637	0	28	-1.0	-43.83	275.99	2.44	-41.39
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966638	0	34	-1.0	-46.97	312.82	2.57	-44.40
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(Cl)S1	REAL300010966639	0	32	-1.0	-54.32	320.28	0.44	-53.88
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966640	0	48	-1.0	-59.48	416.45	4.85	-54.63
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300010966641	0	37	-1.0	-49.20	315.79	4.37	-44.83
CC(C)OC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966642	0	39	-1.0	-48.31	331.36	4.59	-43.72
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966643	0	43	-1.0	-59.52	396.92	1.50	-58.02
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966644	0	38	-1.0	-47.43	352.12	3.63	-43.80
O=C([O-])C1(CNC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300010966645	0	40	-1.0	-48.87	338.18	10.53	-38.34
CC1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1Cl	REAL300010966646	0	32	-1.0	-49.34	282.48	4.40	-44.94
CC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010966647	0	34	-1.0	-47.71	321.14	4.86	-42.85
CN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(=O)NCC(F)(F)F	REAL300010966648	0	40	-1.0	-51.90	367.07	2.68	-49.22
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300010966649	0	42	-1.0	-54.64	359.95	6.50	-48.14
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966650	0	33	-1.0	-55.51	320.86	5.20	-50.31
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300010966651	0	38	-1.0	-51.72	328.87	7.54	-44.18
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300010966652	0	37	-1.0	-54.91	315.88	5.56	-49.35
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300010966653	0	35	-1.0	-54.18	291.67	4.87	-49.31
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010966654	0	42	-1.0	-61.79	355.95	5.30	-56.49
O=C([O-])C1(CNS(=O)(=O)CCCN2CCOCC2)CC1	REAL300010966655	0	41	-1.0	-50.67	335.80	0.75	-49.92
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300010966656	0	35	-1.0	-46.15	330.69	1.82	-44.33
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966657	0	38	-1.0	-46.60	345.13	5.39	-41.21
CCC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C(C(=O)OC)O1	REAL300010966658	0	38	-1.0	-44.32	341.33	4.07	-40.25
O=C([O-])C1(CNS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CC1	REAL300010966659	0	46	-1.0	-60.19	376.50	5.51	-54.68
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966660	0	42	-1.0	-48.52	373.09	5.33	-43.19
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Cl)=C1	REAL300010966661	0	30	-1.0	-50.32	284.03	4.32	-46.00
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966662	0	33	-1.0	-48.56	309.56	4.24	-44.32
O=C([O-])C1(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300010966663	0	34	-1.0	-51.99	309.19	3.80	-48.19
O=C([O-])C1(CNS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1	REAL300010966664	0	49	-1.0	-51.97	386.48	5.52	-46.45
O=C([O-])C1(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1	REAL300010966665	0	43	-1.0	-52.74	353.39	3.95	-48.79
O=C([O-])C1(CNS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CC1	REAL300010966666	0	40	-1.0	-54.64	359.09	4.47	-50.17
CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966667	0	35	-1.0	-46.51	311.12	1.36	-45.15
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300010966668	0	31	-1.0	-44.87	296.80	2.98	-41.89
COC(=O)C1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)SC=N1	REAL300010966669	1	31	-1.0	-57.28	301.80	1.64	-55.64
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966670	0	35	-1.0	-47.10	323.27	4.46	-42.64
CC1=CC2=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2N=C1	REAL300010973001	0	37	-1.0	-58.42	337.38	4.95	-53.47
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010973002	0	35	-1.0	-49.12	323.96	4.36	-44.76
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973003	0	33	-1.0	-40.63	305.64	3.87	-36.76
N#CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010973004	0	33	-1.0	-43.12	319.79	3.89	-39.23
N#CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010973005	0	34	-1.0	-50.38	331.39	-1.47	-51.85
COC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973006	0	35	-1.0	-46.42	331.82	4.24	-42.18
N#CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010973007	0	41	-1.0	-49.11	383.91	1.38	-47.73
N#CCCC(NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010973008	0	34	-1.0	-62.44	328.20	4.87	-57.57
N#CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010973009	0	32	-1.0	-59.87	306.15	4.29	-55.58
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(Cl)=C1	REAL300010973010	0	32	-1.0	-52.43	308.32	4.69	-47.74
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010973011	0	35	-1.0	-47.60	332.66	-0.05	-47.65
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973012	0	35	-1.0	-59.62	337.05	1.02	-58.60
CN1C(=O)C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2C1=O	REAL300010973013	0	36	-1.0	-44.01	340.54	2.80	-41.21
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973014	0	37	-1.0	-56.68	341.70	5.05	-51.63
CC1=CC(F)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973015	0	32	-1.0	-40.48	296.58	4.52	-35.96
N#CCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010973016	0	38	-1.0	-51.04	323.42	4.42	-46.62
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CN=C12	REAL300010973017	0	37	-1.0	-46.34	327.92	4.67	-41.67
CN1C(=O)OC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973018	0	35	-1.0	-59.70	330.20	3.48	-56.22
N#CCCC(NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010973019	0	34	-1.0	-56.98	324.17	4.99	-51.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973020	0	37	-1.0	-56.58	329.98	6.21	-50.37
CCOC(=O)C1CCCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973021	0	43	-1.0	-58.26	361.78	3.89	-54.37
N#CCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010973022	0	33	-1.0	-50.70	322.35	3.30	-47.40
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973023	0	40	-1.0	-49.65	371.55	1.64	-48.01
N#CCCC(NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010973024	0	29	-1.0	-39.46	291.00	4.06	-35.40
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973025	0	31	-1.0	-43.28	305.23	5.45	-37.83
N#CCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010973026	0	41	-1.0	-66.59	363.09	2.85	-63.74
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010973027	0	39	-1.0	-55.84	341.45	7.33	-48.51
CC1CC(C)CN(S(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973028	0	40	-1.0	-41.39	332.55	4.15	-37.24
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973029	0	38	-1.0	-55.14	353.00	5.08	-50.06
CCOC(=O)N1CCC(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973030	0	43	-1.0	-61.72	365.61	3.27	-58.45
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010973031	0	29	-1.0	-51.68	293.11	4.02	-47.66
N#CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010973032	0	29	-1.0	-51.46	297.67	4.12	-47.34
N#CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010973033	0	31	-1.0	-51.46	304.34	4.19	-47.27
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010973034	0	35	-1.0	-46.95	323.11	5.87	-41.08
CC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973035	0	36	-1.0	-58.63	332.46	2.41	-56.22
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973036	0	34	-1.0	-40.70	314.37	5.00	-35.70
N#CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973037	0	31	-1.0	-58.54	290.75	5.01	-53.53
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973038	0	36	-1.0	-39.79	327.98	5.07	-34.72
CCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973039	0	36	-1.0	-53.15	327.68	3.72	-49.43
N#CCCC(NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010973040	0	29	-1.0	-43.00	276.48	3.30	-39.70
N#CCCC(NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010973041	0	29	-1.0	-39.82	287.71	3.66	-36.16
N#CCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010973042	0	35	-1.0	-56.17	320.84	2.66	-53.51
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=C1	REAL300010973043	0	38	-1.0	-42.66	322.75	5.77	-36.89
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973044	0	44	-1.0	-42.57	364.53	6.70	-35.87
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010973045	0	29	-1.0	-49.28	308.01	4.50	-44.78
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010973046	0	29	-1.0	-49.86	289.03	3.62	-46.24
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010973047	0	29	-1.0	-39.58	305.85	4.68	-34.90
N#CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973048	0	32	-1.0	-41.88	315.89	4.57	-37.31
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973049	0	32	-1.0	-60.80	294.05	4.22	-56.58
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973050	0	32	-1.0	-49.31	328.23	4.93	-44.38
N#CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010973051	0	29	-1.0	-42.02	293.88	4.09	-37.93
N#CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010973052	0	32	-1.0	-52.62	326.77	5.02	-47.60
CC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973053	0	34	-1.0	-54.43	317.34	3.94	-50.49
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010973054	0	29	-1.0	-49.50	298.68	4.09	-45.41
CC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973055	0	34	-1.0	-49.32	319.92	4.06	-45.26
CC1=NC(C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2)=CO1	REAL300010973056	0	38	-1.0	-56.00	352.51	2.59	-53.41
N#CCCC(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010973057	0	28	-1.0	-48.32	303.51	2.59	-45.73
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010973058	0	32	-1.0	-49.06	304.66	3.94	-45.12
COC1=CC=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973059	0	33	-1.0	-43.74	320.01	3.44	-40.30
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C2S1	REAL300010973060	0	38	-1.0	-49.77	358.41	6.18	-43.59
COC(=O)CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973061	0	38	-1.0	-59.40	353.08	4.97	-54.43
N#CCCC(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010973062	0	36	-1.0	-58.23	311.43	5.01	-53.22
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973064	0	40	-1.0	-72.44	356.89	4.63	-67.81
N#CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010973065	0	30	-1.0	-54.67	308.09	4.09	-50.58
CC1=CC=C(C#N)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973066	0	33	-1.0	-40.35	309.04	4.77	-35.58
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(=O)N(C)C	REAL300010973067	0	43	-1.0	-57.22	377.91	3.29	-53.93
CC1CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC(Cl)=C2O1	REAL300010973068	0	37	-1.0	-53.88	349.91	4.63	-49.25
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010973069	0	34	-1.0	-51.17	320.55	4.69	-46.48
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010973070	0	43	-1.0	-42.50	389.81	6.15	-36.35
COC(=O)C1=COC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973071	0	32	-1.0	-54.99	317.20	2.32	-52.67
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973072	0	40	-1.0	-58.09	364.73	4.28	-53.81
N#CCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010973073	0	31	-1.0	-46.61	306.89	3.03	-43.58
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973074	0	39	-1.0	-62.43	343.74	3.77	-58.66
COC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])SC=C1	REAL300010973075	0	30	-1.0	-58.77	287.07	1.81	-56.96
CC(=O)NC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1C	REAL300010973076	0	39	-1.0	-67.59	350.23	3.23	-64.36
CN1CCCC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973077	0	41	-1.0	-53.79	350.55	4.06	-49.73
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C1Cl	REAL300010973078	0	31	-1.0	-42.02	305.55	2.76	-39.26
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010973079	0	35	-1.0	-56.15	327.67	2.54	-53.61
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973080	0	38	-1.0	-54.12	350.13	5.19	-48.93
CC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1C#N	REAL300010973081	0	33	-1.0	-49.12	314.67	4.38	-44.74
COC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC(OC)=C1	REAL300010973082	0	37	-1.0	-48.05	336.13	2.18	-45.87
CN1C=NC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973083	0	35	-1.0	-57.80	324.60	4.84	-52.96
CCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1CC	REAL300010973084	0	41	-1.0	-54.20	353.41	6.06	-48.14
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973085	0	37	-1.0	-40.69	329.37	5.75	-34.94
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C)O1	REAL300010973086	0	35	-1.0	-56.33	333.21	3.01	-53.32
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010973087	0	30	-1.0	-50.39	297.65	1.51	-48.88
COC(=O)C1=NSC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973088	0	31	-1.0	-47.60	309.50	2.43	-45.17
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC(C)=C1F	REAL300010973089	0	35	-1.0	-42.67	324.17	4.91	-37.76
N#CCCC(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010973090	0	37	-1.0	-60.45	335.93	1.96	-58.49
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN1C	REAL300010973091	0	36	-1.0	-61.81	338.33	3.62	-58.19
N#CCCC(NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010973092	0	29	-1.0	-40.31	300.29	4.16	-36.15
N#CCCC(NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010973093	0	28	-1.0	-50.05	287.99	2.21	-47.84
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973094	0	40	-1.0	-53.31	358.55	5.35	-47.96
N#CCCC(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010973095	0	32	-1.0	-40.26	322.08	4.82	-35.44
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(N)=O	REAL300010973096	0	34	-1.0	-56.53	318.95	-0.30	-56.83
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973097	0	32	-1.0	-39.56	303.00	4.83	-34.73
CCOC(=O)C1CCCN1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973098	0	40	-1.0	-55.36	347.61	3.38	-51.98
CNC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN1C	REAL300010973099	0	37	-1.0	-56.74	341.13	1.17	-55.57
COC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=C1	REAL300010973100	0	39	-1.0	-43.55	329.79	4.29	-39.26
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010973101	0	37	-1.0	-44.70	349.63	3.32	-41.38
COC(=O)C1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973102	0	38	-1.0	-62.14	354.53	4.89	-57.25
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010973103	0	40	-1.0	-55.80	351.89	3.64	-52.16
COC(=O)C1=CC=CC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973104	0	38	-1.0	-46.40	350.97	4.86	-41.54
CCOC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])O1	REAL300010973105	0	35	-1.0	-46.98	338.55	3.31	-43.67
N#CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010973106	0	40	-1.0	-47.97	361.38	7.69	-40.28
COC(=O)COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973107	0	39	-1.0	-60.12	362.17	4.43	-55.69
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973108	0	42	-1.0	-56.10	382.89	4.59	-51.51
COC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973109	0	39	-1.0	-54.53	337.80	4.38	-50.15
N#CCCC(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010973110	0	33	-1.0	-64.80	314.47	3.88	-60.92
CCOC(=O)CCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973111	0	37	-1.0	-41.44	335.06	3.69	-37.75
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973112	0	32	-1.0	-43.14	313.66	5.66	-37.48
N#CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973113	0	31	-1.0	-44.47	309.90	5.55	-38.92
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973114	0	34	-1.0	-46.99	306.80	5.81	-41.18
N#CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010973115	0	31	-1.0	-39.01	315.82	4.83	-34.18
N#CCCC(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010973116	0	26	-1.0	-53.38	276.42	2.47	-50.91
N#CCCC(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010973117	0	33	-1.0	-53.39	310.89	3.80	-49.59
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300010973118	0	37	-1.0	-53.88	322.26	4.74	-49.14
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010973119	0	31	-1.0	-60.91	311.45	2.87	-58.04
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010973120	0	37	-1.0	-46.48	328.33	2.39	-44.09
N#CCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010973121	0	34	-1.0	-55.62	310.99	3.97	-51.65
N#CCCC(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010973122	0	28	-1.0	-47.44	303.76	2.78	-44.66
N#CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010973123	0	31	-1.0	-42.95	298.31	3.90	-39.05
N#CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010973124	0	31	-1.0	-49.15	320.75	4.64	-44.51
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973125	0	38	-1.0	-59.71	354.89	2.13	-57.58
CCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010973126	0	34	-1.0	-55.51	327.51	4.45	-51.06
N#CCCC(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973127	0	31	-1.0	-48.77	305.52	5.35	-43.42
N#CCCC(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973128	0	31	-1.0	-39.57	309.51	4.27	-35.30
N#CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010973129	0	36	-1.0	-54.58	347.28	4.19	-50.39
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973130	0	31	-1.0	-44.32	315.62	5.69	-38.63
N#CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010973131	0	43	-1.0	-54.09	387.37	6.80	-47.29
CC1(C)C2CCC1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C(=O)C2	REAL300010973132	0	44	-1.0	-47.83	351.40	5.84	-41.99
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973133	0	37	-1.0	-55.30	343.62	-0.06	-55.36
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973134	0	37	-1.0	-59.13	339.45	4.77	-54.36
CCOC(=O)N1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973135	0	42	-1.0	-40.18	350.04	2.01	-38.17
COC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010973136	0	38	-1.0	-54.81	356.40	4.81	-50.00
N#CCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010973137	0	39	-1.0	-45.91	360.87	5.09	-40.82
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973138	0	51	-1.0	-40.83	409.79	6.38	-34.45
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973139	0	37	-1.0	-59.07	353.19	0.14	-58.93
N#CCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010973140	0	32	-1.0	-42.68	305.89	4.32	-38.36
CS(=O)(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1F	REAL300010973141	0	35	-1.0	-62.91	341.18	1.06	-61.85
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(F)C=C1F	REAL300010973142	0	32	-1.0	-43.15	296.80	3.94	-39.21
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973143	0	36	-1.0	-56.08	344.04	4.56	-51.52
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973144	0	41	-1.0	-45.79	365.63	5.07	-40.72
CC1=CN(C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2F)N=C1	REAL300010973145	0	39	-1.0	-53.21	359.67	5.38	-47.83
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973146	0	36	-1.0	-55.23	341.91	2.01	-53.22
CCS(=O)(=O)NCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973147	0	36	-1.0	-48.32	339.59	-1.72	-50.04
CC1=CC(F)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973148	0	32	-1.0	-53.04	308.86	4.30	-48.74
CC1=CC(Cl)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973149	0	34	-1.0	-54.17	330.63	5.18	-48.99
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300010973150	0	35	-1.0	-47.19	330.85	4.85	-42.34
N#CCCC(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010973151	0	26	-1.0	-48.89	302.31	3.72	-45.17
N#CCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010973152	0	41	-1.0	-47.40	370.84	5.55	-41.85
N#CCCC(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010973153	0	29	-1.0	-46.43	286.31	3.64	-42.79
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010973154	0	29	-1.0	-41.19	289.94	3.83	-37.36
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(F)(F)F	REAL300010973155	0	35	-1.0	-55.24	330.78	5.01	-50.23
N#CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010973156	0	35	-1.0	-44.73	347.73	4.25	-40.48
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C12	REAL300010973157	0	37	-1.0	-51.79	342.70	3.21	-48.58
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973158	0	36	-1.0	-45.34	344.38	4.13	-41.21
N#CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010973159	0	32	-1.0	-61.42	326.59	4.85	-56.57
CC1=NOC2=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C12	REAL300010973160	0	33	-1.0	-50.94	315.86	0.51	-50.43
N#CCCC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010973161	0	38	-1.0	-56.07	357.92	6.34	-49.73
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010973162	0	31	-1.0	-60.91	311.45	2.87	-58.04
N#CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010973163	0	31	-1.0	-39.61	322.13	4.98	-34.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973164	0	35	-1.0	-43.15	321.48	5.00	-38.15
N#CCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010973165	0	32	-1.0	-58.11	313.31	4.67	-53.44
N#CCCC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010973166	0	41	-1.0	-68.75	372.97	2.01	-66.74
N#CCCC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010973167	0	36	-1.0	-59.71	345.98	3.99	-55.72
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010973168	0	29	-1.0	-40.59	311.84	4.78	-35.81
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C21	REAL300010973169	0	37	-1.0	-51.26	346.05	0.90	-50.36
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1F	REAL300010973170	0	38	-1.0	-52.19	357.50	5.10	-47.09
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010973171	0	37	-1.0	-54.88	335.17	4.18	-50.70
N#CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010973172	0	32	-1.0	-43.34	332.79	5.53	-37.81
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010973173	0	35	-1.0	-43.55	339.63	6.30	-37.25
N#CCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300010973174	0	32	-1.0	-51.37	328.74	5.38	-45.99
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010973175	0	35	-1.0	-45.75	321.00	6.33	-39.42
N#CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010973176	0	35	-1.0	-44.97	329.34	6.23	-38.74
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2O1	REAL300010973177	0	43	-1.0	-56.87	389.85	5.74	-51.13
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973178	0	35	-1.0	-57.38	341.19	1.06	-56.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973179	0	42	-1.0	-58.81	383.76	5.07	-53.74
N#CCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010973180	0	40	-1.0	-45.87	372.40	0.55	-45.32
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300010975001	0	48	-1.0	-50.00	385.38	8.38	-41.62
N#CC1=CC(F)=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975002	0	37	-1.0	-48.55	336.14	6.63	-41.92
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(F)C=C2Cl)C[C@H]1C1CC1	REAL300010975003	0	39	-1.0	-49.98	352.68	7.40	-42.58
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C[C@H]1C1CC1	REAL300010975004	0	55	-1.0	-50.45	426.53	10.42	-40.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975005	0	40	-1.0	-53.39	338.25	5.99	-47.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC(=O)S2)C[C@H]1C1CC1	REAL300010975006	0	33	-1.0	-49.85	305.79	2.05	-47.80
CC1=NOC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975007	0	35	-1.0	-51.71	300.29	3.98	-47.73
CC(C)(CCl)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975008	0	41	-1.0	-56.10	335.77	6.53	-49.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Br)NC=N2)C[C@H]1C1CC1	REAL300010975009	0	33	-1.0	-54.56	307.00	4.17	-50.39
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=NOC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975010	0	44	-1.0	-52.86	377.58	7.02	-45.84
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C[C@H]1C1CC1	REAL300010975011	0	35	-1.0	-46.02	326.58	5.13	-40.89
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)N=C2F)C[C@H]1C1CC1	REAL300010975012	0	35	-1.0	-48.49	322.08	4.65	-43.84
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)N=C2F)C[C@H]1C1CC1	REAL300010975013	0	35	-1.0	-48.76	311.61	4.16	-44.60
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C[C@H]1C1CC1	REAL300010975014	0	41	-1.0	-48.47	356.39	6.74	-41.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C[C@H]1C1CC1	REAL300010975015	0	38	-1.0	-47.13	349.17	6.11	-41.02
CS(C)(=O)=NS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975016	0	36	-1.0	-68.64	313.24	2.11	-66.53
O=C([O-])[C@@H]1CN(S(=O)(=O)N=S2(=O)CCCC2)C[C@H]1C1CC1	REAL300010975017	0	40	-1.0	-63.37	338.83	3.44	-59.93
CC(F)(F)CCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975018	0	38	-1.0	-50.70	326.92	5.58	-45.12
CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975019	0	43	-1.0	-51.33	344.75	5.80	-45.53
CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1(Cl)Cl	REAL300010975020	0	39	-1.0	-52.09	339.06	6.61	-45.48
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=C(Br)SC=N2)C[C@H]1C1CC1	REAL300010975021	0	35	-1.0	-51.86	335.82	4.53	-47.33
CN1C=NN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975022	0	35	-1.0	-51.16	302.00	5.27	-45.89
CCS(=O)(CC)=NS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975023	0	42	-1.0	-67.88	353.33	3.76	-64.12
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C([N+](=O)[O-])S1	REAL300010975024	0	38	-1.0	-50.32	345.93	7.50	-42.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CC(=O)N(C3CC3)C2)C[C@H]1C1CC1	REAL300010975025	0	44	-1.0	-54.46	351.37	5.15	-49.31
CCN1CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1=O	REAL300010975026	0	43	-1.0	-51.36	348.42	4.60	-46.76
CN(C)C1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300010975027	0	44	-1.0	-47.53	342.88	4.69	-42.84
CCOC(=O)C1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1	REAL300010975028	0	45	-1.0	-53.33	365.70	6.77	-46.56
CS(=O)(=O)N1CCC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300010975029	0	47	-1.0	-57.27	385.74	2.53	-54.74
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C[C@H]1C1CC1	REAL300010975030	0	37	-1.0	-50.57	352.60	5.28	-45.29
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2CCC2(F)F)C[C@H]1C1CC1	REAL300010975031	0	39	-1.0	-54.82	330.78	6.08	-48.74
COC(=O)C1=CC=C(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975032	0	45	-1.0	-53.75	379.44	7.27	-46.48
CN1N=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1C(F)(F)F	REAL300010975033	0	39	-1.0	-48.02	323.79	4.16	-43.86
CN1N=C2CCCCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975034	0	46	-1.0	-49.39	367.66	6.26	-43.13
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2Br)C[C@H]1C1CC1	REAL300010975035	0	33	-1.0	-44.55	301.06	5.21	-39.34
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C(C)(C)C)=N1	REAL300010975036	0	48	-1.0	-49.85	379.75	6.64	-43.21
CCC(C)(C)CCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975037	0	47	-1.0	-48.13	363.76	6.86	-41.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C[C@H]1C1CC1	REAL300010975038	0	46	-1.0	-52.47	374.86	6.53	-45.94
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975039	0	39	-1.0	-45.48	336.88	4.91	-40.57
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(Br)=N1	REAL300010975040	0	36	-1.0	-50.97	326.51	4.16	-46.81
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C[C@H]1C1CC1	REAL300010975041	0	38	-1.0	-47.21	342.01	5.23	-41.98
COC1=CC=C(F)C=C1CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975042	0	43	-1.0	-51.75	367.28	6.32	-45.43
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2O)C[C@H]1C1CC1	REAL300010975043	1	37	-1.0	-49.56	322.27	3.97	-45.59
C=CCCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975044	0	46	-1.0	-49.66	386.13	8.94	-40.72
COC(=O)C1=CNN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975045	0	39	-1.0	-57.26	338.65	3.82	-53.44
CCC1=NN(C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975046	0	42	-1.0	-52.10	346.86	4.97	-47.13
CC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300010975047	0	41	-1.0	-51.75	352.17	6.61	-45.14
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975048	0	45	-1.0	-61.87	372.48	4.20	-57.67
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C#N)=C1	REAL300010975049	0	40	-1.0	-59.78	341.50	6.94	-52.84
CC1=CC=CC(C#N)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975050	0	40	-1.0	-50.34	336.10	7.19	-43.15
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C[C@H]1C1CC1	REAL300010975051	0	39	-1.0	-48.50	345.60	7.07	-41.43
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C[C@H]1C1CC1	REAL300010975052	0	40	-1.0	-49.94	349.51	7.59	-42.35
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1CC	REAL300010975053	0	52	-1.0	-48.83	421.70	8.65	-40.18
N#CCCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975054	0	43	-1.0	-54.30	372.67	8.11	-46.19
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975055	0	42	-1.0	-46.62	349.41	8.18	-38.44
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975056	0	50	-1.0	-52.01	404.39	5.93	-46.08
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C[C@H]1C1CC1	REAL300010975057	0	46	-1.0	-56.31	383.04	7.82	-48.49
CC1=CN=C(Cl)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975058	0	38	-1.0	-49.23	331.28	5.27	-43.96
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCC2CC2)C[C@H]1C1CC1	REAL300010975059	0	42	-1.0	-55.75	348.30	7.08	-48.67
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NS2)C[C@H]1C1CC1	REAL300010975060	0	32	-1.0	-47.11	294.02	3.86	-43.25
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975061	0	46	-1.0	-49.22	383.53	8.50	-40.72
CC(C)(CCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CC1	REAL300010975062	0	48	-1.0	-48.09	373.23	7.61	-40.48
CCOC(=O)C1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N(C)N=C1	REAL300010975063	0	45	-1.0	-57.02	378.48	6.17	-50.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C[C@H]1C1CC1	REAL300010975064	0	40	-1.0	-48.36	347.03	7.50	-40.86
CC(F)(F)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975065	0	41	-1.0	-50.66	348.42	6.33	-44.33
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCC2=CC=CC=C2)C[C@H]1C1CC1	REAL300010975066	0	45	-1.0	-49.80	375.70	8.45	-41.35
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3OCCCN3N=C2)C[C@H]1C1CC1	REAL300010975067	0	41	-1.0	-55.71	346.63	3.23	-52.48
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C(C(N)=O)O1	REAL300010975068	0	40	-1.0	-47.33	334.62	1.33	-46.00
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975069	0	45	-1.0	-48.25	352.48	8.34	-39.91
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975070	0	49	-1.0	-57.18	412.15	7.06	-50.12
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=NOC3=C2CCCC3)C[C@H]1C1CC1	REAL300010975071	0	45	-1.0	-54.39	371.10	6.89	-47.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2C(F)F)C[C@H]1C1CC1	REAL300010975072	0	36	-1.0	-48.91	314.48	5.55	-43.36
COC(=O)C1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975073	0	41	-1.0	-51.96	352.65	4.63	-47.33
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC(F)=C2)C[C@H]1C1CC1	REAL300010975074	0	42	-1.0	-49.42	360.63	7.75	-41.67
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C[C@H]1C1CC1	REAL300010975075	0	41	-1.0	-58.57	338.97	6.37	-52.20
COC(=O)C1=CN(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975076	0	43	-1.0	-59.86	371.24	6.45	-53.41
N#CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=CS1	REAL300010975077	0	34	-1.0	-48.81	315.12	5.45	-43.36
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C21	REAL300010975078	0	50	-1.0	-49.48	396.43	5.95	-43.53
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C21	REAL300010975079	0	50	-1.0	-63.55	408.25	8.10	-55.45
NC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300010975080	0	36	-1.0	-50.39	314.14	3.52	-46.87
COC1=NC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975081	0	39	-1.0	-52.07	330.15	3.44	-48.63
CCC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300010975082	0	47	-1.0	-47.43	358.29	6.31	-41.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C[C@H]1C1CC1	REAL300010975084	0	43	-1.0	-55.31	357.30	5.86	-49.45
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCC2)C[C@H]1C1CC1	REAL300010975085	0	43	-1.0	-49.56	356.03	6.07	-43.49
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C[C@H]1C1CC1	REAL300010975086	0	46	-1.0	-48.92	371.55	6.58	-42.34
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975087	0	49	-1.0	-56.49	407.95	7.58	-48.91
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975088	0	46	-1.0	-55.70	376.36	7.05	-48.65
CC1(C)COC2=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=NN2C1	REAL300010975089	0	47	-1.0	-50.68	374.17	3.94	-46.74
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C[C@H]1C1CC1	REAL300010975090	0	42	-1.0	-48.42	367.72	6.79	-41.63
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C[C@H]1C1CC1	REAL300010975091	0	42	-1.0	-50.22	359.64	3.40	-46.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Br)C=CO2)C[C@H]1C1CC1	REAL300010975092	0	33	-1.0	-48.95	311.76	4.76	-44.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3CCCCN23)C[C@H]1C1CC1	REAL300010975093	0	43	-1.0	-52.64	350.06	6.21	-46.43
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300010975094	0	40	-1.0	-45.70	346.78	5.42	-40.28
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300010975095	0	40	-1.0	-48.69	345.46	5.48	-43.21
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1C	REAL300010975096	0	52	-1.0	-47.68	402.61	7.79	-39.89
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975097	0	46	-1.0	-51.54	378.53	7.66	-43.88
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975098	0	39	-1.0	-45.25	318.52	6.41	-38.84
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2O1	REAL300010975099	0	44	-1.0	-53.69	354.75	6.55	-47.14
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010975100	0	44	-1.0	-46.68	369.55	5.54	-41.14
N#CC1(C2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CC1	REAL300010975101	0	44	-1.0	-54.68	377.14	8.38	-46.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975102	0	40	-1.0	-51.02	349.30	6.89	-44.13
CCC1=CN=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975103	0	41	-1.0	-48.51	338.82	5.50	-43.01
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=N1	REAL300010975104	0	41	-1.0	-49.60	359.87	5.02	-44.58
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C[C@H]1C1CC1	REAL300010975105	0	42	-1.0	-52.64	361.18	6.74	-45.90
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C21	REAL300010975106	0	50	-1.0	-55.10	404.57	7.64	-47.46
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2Cl)C[C@H]1C1CC1	REAL300010975107	0	33	-1.0	-49.80	298.96	5.06	-44.74
CN1N=C(Br)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975108	0	36	-1.0	-45.48	322.19	3.98	-41.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300010975109	0	38	-1.0	-47.81	339.73	5.20	-42.61
CC1=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CS1	REAL300010975110	0	35	-1.0	-56.55	315.67	3.75	-52.80
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975111	0	41	-1.0	-60.52	350.12	5.74	-54.78
CC1=CSC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300010975112	0	35	-1.0	-52.35	315.92	3.71	-48.64
N#CC1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975113	0	36	-1.0	-54.40	327.84	4.78	-49.62
CCN1N=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975114	0	38	-1.0	-46.90	322.21	3.49	-43.41
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@H]1C1CC1	REAL300010975115	0	45	-1.0	-47.70	345.46	5.83	-41.87
CN1N=NN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975116	0	34	-1.0	-47.72	298.15	2.36	-45.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)C[C@H]1C1CC1	REAL300010975117	0	37	-1.0	-49.35	323.78	4.98	-44.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C[C@H]1C1CC1	REAL300010975118	0	39	-1.0	-57.45	352.96	5.89	-51.56
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C[C@H]1C1CC1	REAL300010975119	0	39	-1.0	-55.13	346.27	7.60	-47.53
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975120	0	43	-1.0	-50.49	359.89	5.94	-44.55
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C)=C1F	REAL300010975121	0	45	-1.0	-49.16	358.01	8.32	-40.84
COC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1OC	REAL300010975122	0	44	-1.0	-56.35	362.75	6.04	-50.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C[C@H]1C1CC1	REAL300010975123	0	45	-1.0	-57.51	375.48	3.37	-54.14
N#CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=C1Br	REAL300010975124	0	37	-1.0	-47.02	347.67	7.03	-39.99
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=C1	REAL300010975125	0	36	-1.0	-48.85	323.97	4.66	-44.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=COC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975126	0	39	-1.0	-52.14	334.50	6.32	-45.82
COC1=CC=C(F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1OC	REAL300010975127	0	44	-1.0	-53.38	372.29	6.56	-46.82
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CCCC2)=N1	REAL300010975128	0	49	-1.0	-49.44	383.76	6.63	-42.81
N#CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C2S1	REAL300010975129	0	40	-1.0	-53.45	361.61	8.18	-45.27
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CC2)=N1	REAL300010975130	0	43	-1.0	-51.93	356.57	5.84	-46.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C[C@H]1C1CC1	REAL300010975132	0	40	-1.0	-51.02	348.17	5.75	-45.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C[C@H]1C1CC1	REAL300010975133	0	39	-1.0	-56.40	340.54	5.48	-50.92
CN1N=NC2=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=CC=C21	REAL300010975134	0	41	-1.0	-57.60	352.62	4.75	-52.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=COC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975135	0	39	-1.0	-52.14	334.50	6.32	-45.82
CC1(C)CCCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300010975137	0	47	-1.0	-48.05	364.01	6.62	-41.43
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C[C@H]1C1CC1	REAL300010975138	0	39	-1.0	-49.20	327.08	6.01	-43.19
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CCC2)=N1	REAL300010975139	0	46	-1.0	-55.30	370.68	6.26	-49.04
O=C([O-])[C@@H]1CN(S(=O)(=O)NCCC2=CC=CC=C2)C[C@H]1C1CC1	REAL300010975140	0	44	-1.0	-47.85	361.45	5.88	-41.97
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975141	0	54	-1.0	-48.89	414.48	9.70	-39.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)SC=C2)C[C@H]1C1CC1	REAL300010975142	0	33	-1.0	-46.62	310.07	5.57	-41.05
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C[C@H]1C1CC1	REAL300010975143	0	46	-1.0	-56.32	381.50	6.82	-49.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)C[C@H]1C1CC1	REAL300010975144	0	40	-1.0	-49.28	337.90	7.06	-42.22
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC=C2)C[C@H]1C1CC1	REAL300010975145	0	40	-1.0	-49.78	340.83	7.36	-42.42
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C[C@H]1C1CC1	REAL300010975146	0	47	-1.0	-50.90	401.28	9.03	-41.87
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975147	0	49	-1.0	-57.59	398.72	4.57	-53.02
COC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=NC=CC=C2C=C1	REAL300010975148	0	45	-1.0	-63.59	372.57	7.35	-56.24
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975149	0	45	-1.0	-49.79	371.55	8.34	-41.45
COC(=O)C1=NN(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975150	0	42	-1.0	-50.17	356.37	4.21	-45.96
N#CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975151	0	37	-1.0	-49.39	323.98	6.24	-43.15
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975152	0	43	-1.0	-51.96	353.95	5.69	-46.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C[C@H]1C1CC1	REAL300010975153	0	40	-1.0	-46.27	367.22	7.58	-38.69
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C[C@H]1C1CC1	REAL300010975154	0	42	-1.0	-47.91	328.97	5.40	-42.51
CC1=CC=CC(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975155	0	42	-1.0	-49.55	331.41	7.55	-42.00
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975156	0	45	-1.0	-47.80	348.51	5.72	-42.08
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300010975157	0	45	-1.0	-55.70	371.94	5.89	-49.81
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNN=C2C2CCC2)C[C@H]1C1CC1	REAL300010975158	0	43	-1.0	-54.31	347.70	4.95	-49.36
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CN=C1C(F)(F)F	REAL300010975159	0	41	-1.0	-50.40	359.85	5.98	-44.42
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300010975160	0	39	-1.0	-49.61	352.57	7.22	-42.39
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(CF)C=C2)C[C@H]1C1CC1	REAL300010975161	0	39	-1.0	-50.00	336.91	6.99	-43.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C[C@H]1C1CC1	REAL300010975162	0	36	-1.0	-54.91	331.94	6.57	-48.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300010975163	0	36	-1.0	-48.80	341.15	6.33	-42.47
CC1=NN(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975164	0	39	-1.0	-46.75	322.42	4.08	-42.67
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)CC2)C[C@H]1C1CC1	REAL300010975165	0	41	-1.0	-47.14	338.82	5.46	-41.68
CC(=O)NCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975166	0	46	-1.0	-53.99	390.82	5.19	-48.80
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)O2)C[C@H]1C1CC1	REAL300010975167	0	33	-1.0	-52.79	311.81	4.90	-47.89
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C[C@H]1C1CC1	REAL300010975168	0	39	-1.0	-45.89	360.82	7.59	-38.30
CC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1C	REAL300010975169	0	42	-1.0	-47.68	323.98	6.89	-40.79
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C(F)F)C[C@H]1C1CC1	REAL300010975170	0	39	-1.0	-55.02	322.90	7.24	-47.78
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975171	0	47	-1.0	-53.16	393.51	8.20	-44.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C[C@H]1C1CC1	REAL300010975172	0	47	-1.0	-49.81	377.08	9.16	-40.65
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC=C21	REAL300010975173	0	46	-1.0	-56.34	390.05	7.94	-48.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C[C@H]1C1CC1	REAL300010975174	0	42	-1.0	-48.59	371.86	7.25	-41.34
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)C[C@H]1C1CC1	REAL300010975175	0	42	-1.0	-49.02	350.03	6.60	-42.42
CN(C1CCC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975176	0	41	-1.0	-47.66	328.32	5.33	-42.33
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975177	0	41	-1.0	-52.24	362.45	6.74	-45.50
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=NOC3=C2COCC3)C[C@H]1C1CC1	REAL300010975178	0	43	-1.0	-54.50	362.03	4.53	-49.97
N#CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=N1	REAL300010975179	0	36	-1.0	-51.71	323.30	4.67	-47.04
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300010975180	0	36	-1.0	-47.37	331.92	6.43	-40.94
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C[C@H]1C1CC1	REAL300010975181	0	43	-1.0	-50.86	358.13	8.27	-42.59
COC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=CS1	REAL300010975182	0	37	-1.0	-50.16	330.05	4.78	-45.38
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300010975183	0	39	-1.0	-54.00	343.35	7.72	-46.28
COC(=O)C1=C(C)SC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975184	0	42	-1.0	-50.02	373.88	6.48	-43.54
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C[C@H]1C1CC1	REAL300010975185	0	43	-1.0	-51.11	351.33	7.91	-43.20
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)C[C@H]1C1CC1	REAL300010975186	0	46	-1.0	-49.53	373.71	6.79	-42.74
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975187	0	45	-1.0	-46.05	360.82	5.78	-40.27
CNC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975188	0	45	-1.0	-58.18	380.14	3.67	-54.51
CN(C(C)(C)C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975189	0	43	-1.0	-52.91	329.16	5.23	-47.68
CS(=O)(=O)C1=CSC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975190	0	39	-1.0	-54.22	354.75	2.38	-51.84
CNC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975191	0	45	-1.0	-58.18	380.14	3.67	-54.51
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CS2)C[C@H]1C1CC1	REAL300010975192	0	37	-1.0	-49.66	332.79	6.51	-43.15
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300010975193	0	39	-1.0	-50.67	327.63	7.28	-43.39
CCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300010975194	0	39	-1.0	-49.61	326.95	5.49	-44.12
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975195	0	50	-1.0	-47.06	369.15	6.82	-40.24
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C[C@H]1C1CC1	REAL300010975196	0	36	-1.0	-53.18	331.29	5.39	-47.79
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CO2)C[C@H]1C1CC1	REAL300010975197	0	37	-1.0	-50.48	316.62	5.29	-45.19
N#CC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300010975198	0	36	-1.0	-54.19	327.91	4.67	-49.52
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975199	0	40	-1.0	-49.35	345.01	6.17	-43.18
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CCOCC2)=N1	REAL300010975200	0	50	-1.0	-51.81	399.06	5.07	-46.74
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975201	0	42	-1.0	-49.55	362.15	7.70	-41.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C[C@H]1C1CC1	REAL300010975202	0	40	-1.0	-50.96	348.19	5.75	-45.21
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C[C@H]1C1CC1	REAL300010975203	0	51	-1.0	-53.66	405.29	8.91	-44.75
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010975204	0	37	-1.0	-47.87	324.67	4.34	-43.53
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=NC=CC=C12	REAL300010975205	0	47	-1.0	-54.39	365.41	7.96	-46.43
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C[C@H]1C1CC1	REAL300010975206	0	44	-1.0	-50.35	364.02	6.26	-44.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CCF)N=C2)C[C@H]1C1CC1	REAL300010975207	0	39	-1.0	-53.28	340.10	4.87	-48.41
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975208	0	46	-1.0	-51.38	385.85	6.85	-44.53
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975209	0	46	-1.0	-47.42	378.29	7.01	-40.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C[C@H]1C1CC1	REAL300010975210	0	49	-1.0	-47.20	387.25	6.84	-40.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C[C@H]1C1CC1	REAL300010975211	0	47	-1.0	-50.73	397.60	9.02	-41.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2CF)C[C@H]1C1CC1	REAL300010975212	0	39	-1.0	-51.04	320.65	6.92	-44.12
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975213	0	48	-1.0	-57.01	397.65	8.83	-48.18
CC1=CN=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975214	0	38	-1.0	-51.65	322.28	4.91	-46.74
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=C(Cl)SC=N2)C[C@H]1C1CC1	REAL300010975215	0	35	-1.0	-52.11	331.57	4.43	-47.68
N#CC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1F	REAL300010975216	0	37	-1.0	-51.66	330.08	6.47	-45.19
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC3=NON=C3C=C2)C[C@H]1C1CC1	REAL300010975217	0	40	-1.0	-49.22	347.92	5.66	-43.56
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2O)C[C@H]1C1CC1	REAL300010975218	1	37	-1.0	-49.56	322.27	3.97	-45.59
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C[C@H]1C1CC1	REAL300010975219	0	35	-1.0	-47.07	326.53	4.80	-42.27
N#CC1(OCCS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCOCC1	REAL300010975220	0	48	-1.0	-50.30	393.05	3.91	-46.39
CCN1N=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1Cl	REAL300010975221	0	39	-1.0	-48.65	344.08	4.92	-43.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C[C@H]1C1CC1	REAL300010975222	0	38	-1.0	-48.51	344.95	5.23	-43.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C[C@H]1C1CC1	REAL300010975223	0	41	-1.0	-58.13	362.43	7.25	-50.88
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)O2)C[C@H]1C1CC1	REAL300010975224	0	33	-1.0	-52.78	307.18	4.78	-48.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C[C@H]1C1CC1	REAL300010975225	0	41	-1.0	-59.47	355.03	6.83	-52.64
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C[C@H]1C1CC1	REAL300010975226	0	38	-1.0	-48.51	344.95	5.23	-43.28
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C12	REAL300010975227	0	45	-1.0	-53.63	361.52	8.71	-44.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C[C@H]1C1CC1	REAL300010975228	0	43	-1.0	-52.51	366.85	6.54	-45.97
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC=C21	REAL300010975229	0	50	-1.0	-55.01	411.55	7.65	-47.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C[C@H]1C1CC1	REAL300010975230	0	36	-1.0	-46.80	331.81	6.66	-40.14
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300010975231	0	42	-1.0	-57.14	364.50	2.18	-54.96
CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2=CC=CC=C2)=N1	REAL300010975232	0	46	-1.0	-50.66	370.72	6.99	-43.67
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CC2C3)C[C@H]1C1CC1	REAL300010975233	0	39	-1.0	-48.93	322.49	5.15	-43.78
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300010975234	0	40	-1.0	-48.62	347.24	7.43	-41.19
CCOCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975235	0	42	-1.0	-49.25	349.84	4.68	-44.57
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2NC(=O)NC2=O)C[C@H]1C1CC1	REAL300010975236	0	41	-1.0	-53.97	352.53	0.09	-53.88
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3C=CC=CN23)C[C@H]1C1CC1	REAL300010975237	0	39	-1.0	-56.96	334.43	6.57	-50.39
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCC(F)(F)CC2)C[C@H]1C1CC1	REAL300010975238	0	42	-1.0	-56.39	343.46	6.73	-49.66
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C[C@H]1C1CC1	REAL300010975239	0	38	-1.0	-56.61	338.37	5.57	-51.04
O=C([O-])[C@@H]1CN(S(=O)(=O)CCOC2CCOC2)C[C@H]1C1CC1	REAL300010975240	0	44	-1.0	-50.21	361.88	3.34	-46.87
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2COCCO2)C[C@H]1C1CC1	REAL300010975241	0	41	-1.0	-52.82	335.58	3.53	-49.29
CC1=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C(C2=CC=CC=C2)O1	REAL300010975242	0	45	-1.0	-58.75	376.26	4.98	-53.77
O=C([O-])[C@@H]1CN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1C1CC1	REAL300010975243	0	53	-1.0	-48.54	385.96	9.07	-39.47
O=C([O-])[C@@H]1CN(S(=O)(=O)CCN2C=NN=N2)C[C@H]1C1CC1	REAL300010975244	0	37	-1.0	-57.09	315.69	3.76	-53.33
CC1(C)COC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300010975245	0	46	-1.0	-59.43	370.18	5.52	-53.91
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975246	0	41	-1.0	-51.88	336.00	3.10	-48.78
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2CS(=O)(=O)C2)C[C@H]1C1CC1	REAL300010975247	0	39	-1.0	-64.16	340.85	1.94	-62.22
CC(C)(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)(F)F	REAL300010975248	0	44	-1.0	-50.27	347.94	6.65	-43.62
CS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975249	0	44	-1.0	-60.46	379.43	2.98	-57.48
CC1(C)CCC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)OC1	REAL300010975250	0	49	-1.0	-52.10	381.48	6.53	-45.57
O=C([O-])[C@@H]1CN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C1CC1	REAL300010975251	0	46	-1.0	-53.09	376.32	8.38	-44.71
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C[C@H]1C1CC1	REAL300010975252	0	40	-1.0	-52.60	356.93	5.21	-47.39
COC(=O)C1=CN2C=NC(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2C=C1	REAL300010975253	0	45	-1.0	-58.67	388.69	8.06	-50.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C[C@H]1C1CC1	REAL300010975254	0	46	-1.0	-51.68	390.89	9.03	-42.65
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C[C@H]1C1CC1	REAL300010975255	0	45	-1.0	-52.29	361.85	3.53	-48.76
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975256	0	45	-1.0	-53.36	380.91	7.07	-46.29
COCCC1(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300010975257	0	43	-1.0	-47.63	345.03	5.51	-42.12
CCN1N=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300010975258	0	38	-1.0	-52.35	330.53	3.12	-49.23
O=C([O-])[C@@H]1CN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1C1CC1	REAL300010975259	0	49	-1.0	-54.06	378.89	8.28	-45.78
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)C[C@H]1C1CC1	REAL300010975260	0	40	-1.0	-48.48	351.86	7.51	-40.97
COC(=O)C1CCCCN1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975261	0	47	-1.0	-50.56	368.73	6.75	-43.81
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1[N+](=O)[O-]	REAL300010975262	0	39	-1.0	-49.23	354.37	6.98	-42.25
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300010975263	0	47	-1.0	-49.97	385.39	7.25	-42.72
CCC1=NNC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975264	0	39	-1.0	-48.08	314.92	3.39	-44.69
CC1=CC=CC(CNS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975265	0	44	-1.0	-47.91	369.41	6.07	-41.84
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NN1	REAL300010975266	0	42	-1.0	-48.76	361.07	3.70	-45.06
COC1=CSC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1OC	REAL300010975267	0	41	-1.0	-49.96	353.84	3.95	-46.01
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975268	0	39	-1.0	-46.77	361.84	5.44	-41.33
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@H]1C1CC1	REAL300010975269	0	48	-1.0	-47.59	361.02	6.33	-41.26
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975270	0	47	-1.0	-49.70	389.06	8.05	-41.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C[C@H]1C1CC1	REAL300010975271	0	40	-1.0	-50.01	359.45	7.18	-42.83
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(F)=C1	REAL300010975272	0	40	-1.0	-51.37	346.91	5.75	-45.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C[C@H]1C1CC1	REAL300010975273	0	40	-1.0	-49.77	352.63	5.78	-43.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975274	0	42	-1.0	-48.90	344.28	5.86	-43.04
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C[C@H]1C1CC1	REAL300010975275	0	39	-1.0	-52.09	328.44	7.11	-44.98
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C[C@H]1C1CC1	REAL300010975276	0	33	-1.0	-48.55	332.50	6.27	-42.28
CN1N=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1Cl	REAL300010975277	0	36	-1.0	-48.86	322.23	4.06	-44.80
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975278	0	49	-1.0	-50.95	392.77	8.21	-42.74
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C[C@H]1C1CC1	REAL300010975279	0	41	-1.0	-53.15	360.37	6.80	-46.35
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975280	0	44	-1.0	-53.26	357.43	5.34	-47.92
CC(=O)OC1CCN(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300010975281	0	43	-1.0	-48.22	335.41	7.75	-40.47
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C[C@H]1C1CC1	REAL300010975282	0	47	-1.0	-54.56	399.33	9.09	-45.47
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975283	0	42	-1.0	-55.31	337.79	7.59	-47.72
N#CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)OC=C1	REAL300010975284	0	34	-1.0	-50.96	311.82	4.60	-46.36
COC(=O)C1=CNN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975285	0	39	-1.0	-57.26	338.65	3.82	-53.44
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C[C@H]1C1CC1	REAL300010975286	0	41	-1.0	-54.11	362.29	4.74	-49.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C[C@H]1C1CC1	REAL300010975287	0	37	-1.0	-55.68	349.75	5.17	-50.51
CC1=CC(Cl)=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975288	0	38	-1.0	-48.41	328.99	5.30	-43.11
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975289	0	47	-1.0	-50.23	392.27	7.78	-42.45
CCN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CC2)=N1	REAL300010975290	0	46	-1.0	-51.71	378.03	6.70	-45.01
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=NSN=C2C=C1	REAL300010975291	0	40	-1.0	-57.34	338.77	5.26	-52.08
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C[C@H]1C1CC1	REAL300010975292	0	42	-1.0	-48.13	363.45	8.67	-39.46
CC(=O)OC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300010975293	0	44	-1.0	-49.45	360.14	5.09	-44.36
COC(=O)C1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C(Cl)S1	REAL300010975294	0	39	-1.0	-51.16	367.38	7.16	-44.00
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975295	0	49	-1.0	-48.68	394.76	7.36	-41.32
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)OC=C2)C[C@H]1C1CC1	REAL300010975296	0	33	-1.0	-48.17	294.35	4.21	-43.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CS2)C[C@H]1C1CC1	REAL300010975297	0	33	-1.0	-47.28	316.85	5.69	-41.59
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975298	0	50	-1.0	-52.78	408.89	6.53	-46.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C[C@H]1C1CC1	REAL300010975299	0	42	-1.0	-48.41	351.44	8.43	-39.98
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975300	0	44	-1.0	-47.84	350.53	3.53	-44.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)C[C@H]1C1CC1	REAL300010975301	0	43	-1.0	-50.44	345.02	7.93	-42.51
CC1(C)CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300010975302	0	47	-1.0	-52.00	362.69	6.32	-45.68
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(CO)CC2)C[C@H]1C1CC1	REAL300010975303	0	45	-1.0	-54.30	357.52	2.65	-51.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C[C@H]1C1CC1	REAL300010975304	0	51	-1.0	-50.09	410.81	6.54	-43.55
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975305	0	39	-1.0	-48.73	346.55	3.92	-44.81
COC1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1C	REAL300010975306	0	42	-1.0	-49.57	354.47	3.54	-46.03
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300010975307	0	45	-1.0	-53.07	370.37	6.33	-46.74
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975308	0	45	-1.0	-48.84	355.90	5.33	-43.51
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C[C@H]1C1CC1	REAL300010975309	0	35	-1.0	-56.95	334.77	4.16	-52.79
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)C[C@H]1C1CC1	REAL300010975310	0	46	-1.0	-52.16	364.68	3.45	-48.71
COCC1=CC(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NO1	REAL300010975311	0	42	-1.0	-55.24	361.90	4.05	-51.19
N#CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=CO1	REAL300010975312	0	34	-1.0	-49.41	305.59	4.38	-45.03
N#CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)SC=C1	REAL300010975313	0	34	-1.0	-51.34	312.94	5.32	-46.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=C(Br)C=N2)C[C@H]1C1CC1	REAL300010975314	0	34	-1.0	-49.59	322.57	4.04	-45.55
CC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010975315	0	40	-1.0	-60.85	354.25	4.09	-56.76
CC1=C(C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C(C)S1	REAL300010975316	0	42	-1.0	-47.49	348.14	7.53	-39.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC=C2Cl)C[C@H]1C1CC1	REAL300010975317	0	35	-1.0	-53.53	315.33	4.93	-48.60
COC1=CC=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975318	0	39	-1.0	-52.07	326.69	4.13	-47.94
CC1=CC=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975319	0	38	-1.0	-46.17	302.32	4.54	-41.63
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C[C@H]1C1CC1	REAL300010975320	0	38	-1.0	-52.19	346.25	5.40	-46.79
COC1=NC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1Cl	REAL300010975321	0	39	-1.0	-45.66	332.59	2.93	-42.73
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010975322	0	45	-1.0	-55.92	387.75	5.11	-50.81
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975323	0	43	-1.0	-58.38	364.41	4.11	-54.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C[C@H]1C1CC1	REAL300010975324	0	40	-1.0	-46.53	363.75	8.01	-38.52
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC(Br)=C2F)C[C@H]1C1CC1	REAL300010975325	0	35	-1.0	-54.78	328.33	5.02	-49.76
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=C1	REAL300010975326	0	47	-1.0	-49.68	379.67	6.56	-43.12
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975327	0	42	-1.0	-46.26	341.93	5.11	-41.15
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CN=C12	REAL300010975328	0	44	-1.0	-52.44	358.94	7.17	-45.27
COC(=O)C1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1C	REAL300010975329	0	44	-1.0	-50.25	373.94	5.50	-44.75
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975330	0	39	-1.0	-57.65	348.55	8.48	-49.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CC2)C[C@H]1C1CC1	REAL300010975331	0	43	-1.0	-51.05	354.44	6.40	-44.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300010975332	0	43	-1.0	-51.03	356.59	7.03	-44.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C[C@H]1C1CC1	REAL300010975333	0	38	-1.0	-51.15	337.35	5.18	-45.97
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3=CC=CN=C32)C[C@H]1C1CC1	REAL300010975334	0	41	-1.0	-56.53	335.95	6.26	-50.27
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=NN1C(C)C	REAL300010975335	0	45	-1.0	-51.90	357.99	5.52	-46.38
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C[C@H]1C1CC1	REAL300010975336	0	43	-1.0	-49.85	368.78	8.36	-41.49
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C[C@H]1C1CC1	REAL300010975337	0	38	-1.0	-52.32	335.07	5.16	-47.16
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)C[C@H]1C1CC1	REAL300010975338	0	36	-1.0	-47.68	325.65	6.69	-40.99
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=C1NCCC2	REAL300010975339	0	48	-1.0	-50.19	380.31	7.18	-43.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C[C@H]1C1CC1	REAL300010975340	0	43	-1.0	-51.68	368.78	8.36	-43.32
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2Br)C[C@H]1C1CC1	REAL300010975341	0	33	-1.0	-44.55	301.06	5.21	-39.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C[C@H]1C1CC1	REAL300010975342	0	40	-1.0	-51.07	354.90	6.50	-44.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(O)=C2)C[C@H]1C1CC1	REAL300010975343	0	37	-1.0	-50.13	318.18	3.27	-46.86
CC1=CC(Br)=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975344	0	38	-1.0	-48.49	333.59	5.38	-43.11
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975345	0	41	-1.0	-59.67	343.59	6.64	-53.03
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975346	0	45	-1.0	-56.77	375.95	7.88	-48.89
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C[C@H]1C1CC1	REAL300010975347	0	47	-1.0	-49.70	385.09	9.99	-39.71
CC1=CN=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C)=C1	REAL300010975348	0	41	-1.0	-51.47	333.41	5.45	-46.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C[C@H]1C1CC1	REAL300010975349	0	39	-1.0	-51.08	341.95	6.97	-44.11
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(Br)=C2)C[C@H]1C1CC1	REAL300010975350	0	35	-1.0	-48.09	322.15	4.85	-43.24
CC1=CN=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975351	0	38	-1.0	-51.28	310.63	4.87	-46.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSN=C2)C[C@H]1C1CC1	REAL300010975352	0	32	-1.0	-52.10	293.08	3.76	-48.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300010975353	0	38	-1.0	-52.36	323.36	5.29	-47.07
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC=C(Br)CC2)C[C@H]1C1CC1	REAL300010975354	0	39	-1.0	-46.66	332.26	5.59	-41.07
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975355	0	44	-1.0	-53.57	367.02	1.98	-51.59
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CCC(C2)O3)C[C@H]1C1CC1	REAL300010975356	0	43	-1.0	-52.35	338.74	4.25	-48.10
N#CC1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300010975357	0	42	-1.0	-57.55	346.20	5.62	-51.93
CC1=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=C1Br	REAL300010975358	0	38	-1.0	-50.90	343.01	5.40	-45.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C[C@H]1C1CC1	REAL300010975359	0	40	-1.0	-53.05	352.15	5.30	-47.75
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300010975360	0	40	-1.0	-48.62	347.24	7.43	-41.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)C[C@H]1C1CC1	REAL300010975361	0	40	-1.0	-48.33	357.56	7.87	-40.46
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975362	0	45	-1.0	-55.81	389.01	5.72	-50.09
COC1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975363	0	39	-1.0	-54.31	336.69	3.69	-50.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C[C@H]1C1CC1	REAL300010975364	0	43	-1.0	-46.98	342.82	7.64	-39.34
C=CCN(CC=C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975365	0	42	-1.0	-47.01	351.45	6.19	-40.82
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(Cl)=C1Cl	REAL300010975366	0	39	-1.0	-48.28	348.47	7.55	-40.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C[C@H]1C1CC1	REAL300010975367	0	40	-1.0	-47.41	348.08	5.60	-41.81
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C(F)F)=C1	REAL300010975368	0	43	-1.0	-48.33	362.26	6.72	-41.61
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1C(=O)OC	REAL300010975369	0	49	-1.0	-51.59	411.09	7.76	-43.83
COC(=O)C1CC2=CC=C(S(=O)(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2C1	REAL300010975370	0	49	-1.0	-50.89	400.25	8.40	-42.49
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=C1	REAL300010975371	0	39	-1.0	-50.34	332.69	3.53	-46.81
CC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975372	0	38	-1.0	-50.86	316.68	5.02	-45.84
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975373	0	42	-1.0	-49.09	369.01	4.38	-44.71
COC(=O)C1=CC=NC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975374	0	41	-1.0	-56.48	350.36	6.06	-50.42
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975375	0	42	-1.0	-59.26	356.94	7.38	-51.88
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975376	0	41	-1.0	-51.73	339.34	6.34	-45.39
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975377	0	42	-1.0	-55.33	352.55	5.47	-49.86
O=C([O-])[C@@H]1CN(C(=O)N2CCC3=CC=CC=C3C2)C[C@H]1C1CC1	REAL300010975378	0	44	-1.0	-47.61	333.40	9.68	-37.93
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=NC=CC=C12	REAL300010975379	0	44	-1.0	-57.11	353.83	7.43	-49.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Br)C=NS2)C[C@H]1C1CC1	REAL300010975380	0	32	-1.0	-44.06	308.31	4.19	-39.87
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=N1	REAL300010975381	0	38	-1.0	-49.46	325.71	5.01	-44.45
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC(C)=N1	REAL300010975382	0	41	-1.0	-50.00	344.23	5.51	-44.49
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)C2)C[C@H]1C1CC1	REAL300010975383	0	38	-1.0	-51.61	326.74	4.71	-46.90
NC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975384	0	38	-1.0	-48.01	345.80	4.72	-43.29
O=C([O-])[C@@H]1CN(C(=O)N2CC3=CC=CC=C3C2)C[C@H]1C1CC1	REAL300010975385	0	41	-1.0	-51.66	324.45	9.25	-42.41
CN(CCC1=CC=CC=C1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975386	0	46	-1.0	-45.48	357.77	10.40	-35.08
O=C([O-])[C@@H]1CN(C(=O)N2CCC(C(F)(F)F)CC2)C[C@H]1C1CC1	REAL300010975387	0	43	-1.0	-52.02	339.95	8.41	-43.61
O=C([O-])[C@@H]1CN(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@H]1C1CC1	REAL300010975388	0	47	-1.0	-55.91	336.20	9.03	-46.88
O=C([O-])[C@@H]1CN(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@H]1C1CC1	REAL300010975389	0	50	-1.0	-53.03	354.11	9.97	-43.06
CC1=CC(Cl)=CN=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300010975390	0	38	-1.0	-47.71	328.70	5.30	-42.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=CC=C2C(F)F)C[C@H]1C1CC1	REAL300010975391	0	38	-1.0	-51.12	326.84	5.18	-45.94
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C(Cl)S1	REAL300010975392	0	36	-1.0	-48.89	327.65	6.41	-42.48
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CS2)C[C@H]1C1CC1	REAL300010975393	0	32	-1.0	-47.02	287.47	2.99	-44.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C[C@H]1C1CC1	REAL300010975394	0	38	-1.0	-53.85	339.45	5.26	-48.59
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)C2	REAL300010975395	0	53	-1.0	-53.40	369.46	10.15	-43.25
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975396	0	49	-1.0	-52.34	393.17	8.25	-44.09
CCN(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC=C1	REAL300010975397	0	43	-1.0	-45.23	321.30	9.55	-35.68
O=C([O-])[C@@H]1CN(C(=O)N2CCCC3=CC=CC=C32)C[C@H]1C1CC1	REAL300010975398	0	44	-1.0	-46.07	332.68	10.12	-35.95
O=C([O-])[C@@H]1CN(C(=O)N2CCOC(C3CC3)C2)C[C@H]1C1CC1	REAL300010975399	0	45	-1.0	-46.51	336.78	7.60	-38.91
CC1=CC=C(O)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975400	0	40	-1.0	-51.90	335.16	4.62	-47.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C[C@H]1C1CC1	REAL300010975401	1	41	-1.0	-48.96	351.26	4.94	-44.02
CC1(C)CCCC1(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010975402	0	46	-1.0	-50.92	329.94	5.03	-45.89
CC1(C)CCCC1(C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010975403	0	41	-1.0	-47.53	320.41	5.71	-41.82
O=C([O-])C1CCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)C1	REAL300010975404	0	35	-1.0	-48.52	310.99	6.73	-41.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300010975405	0	29	-1.0	-45.80	280.39	4.75	-41.05
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300010975406	0	29	-1.0	-47.36	268.53	4.57	-42.79
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975407	0	41	-1.0	-46.93	317.01	6.63	-40.30
COC(=O)CC1(CS(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975408	0	38	-1.0	-51.61	325.39	4.62	-46.99
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975409	0	35	-1.0	-57.38	306.69	5.96	-51.42
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975410	0	38	-1.0	-48.44	335.73	5.72	-42.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300010975411	0	29	-1.0	-48.45	279.97	4.85	-43.60
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975412	0	35	-1.0	-55.53	314.03	4.85	-50.68
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975413	0	41	-1.0	-47.14	335.31	6.45	-40.69
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975414	0	41	-1.0	-47.17	337.76	6.72	-40.45
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975415	0	46	-1.0	-49.81	395.86	3.85	-45.96
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975416	0	40	-1.0	-51.49	354.69	2.13	-49.36
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C1	REAL300010975417	0	33	-1.0	-50.81	294.71	0.98	-49.83
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975418	0	39	-1.0	-50.92	341.01	3.15	-47.77
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300010975419	0	31	-1.0	-46.94	293.88	5.12	-41.82
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300010975420	0	29	-1.0	-48.22	281.37	5.41	-42.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300010975421	0	29	-1.0	-46.61	286.96	5.06	-41.55
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300010975422	0	33	-1.0	-45.78	308.40	4.08	-41.70
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975423	0	40	-1.0	-64.48	339.89	2.87	-61.61
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010975424	0	29	-1.0	-45.39	273.29	4.18	-41.21
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300010975425	0	29	-1.0	-44.30	292.90	5.15	-39.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300010975426	0	35	-1.0	-46.36	336.07	6.13	-40.23
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975427	0	41	-1.0	-51.20	368.95	5.41	-45.79
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975428	0	41	-1.0	-60.85	357.90	6.49	-54.36
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)C1	REAL300010975429	0	29	-1.0	-48.61	277.51	4.59	-44.02
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C1	REAL300010975430	0	32	-1.0	-44.87	302.96	6.00	-38.87
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300010975431	0	32	-1.0	-45.29	298.00	5.29	-40.00
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1NC(C)=O	REAL300010975432	0	40	-1.0	-53.48	343.41	2.41	-51.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010975433	0	33	-1.0	-45.11	305.07	3.92	-41.19
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1C	REAL300010975434	0	44	-1.0	-48.11	329.24	7.04	-41.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300010975435	0	38	-1.0	-48.63	321.36	4.05	-44.58
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975436	0	34	-1.0	-45.90	302.71	5.30	-40.60
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)S2)C1	REAL300010975437	0	26	-1.0	-46.04	273.07	3.84	-42.20
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1Cl	REAL300010975438	0	35	-1.0	-45.12	314.13	6.49	-38.63
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975439	0	33	-1.0	-51.86	305.13	4.60	-47.26
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975440	0	47	-1.0	-46.80	359.20	7.87	-38.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300010975441	0	45	-1.0	-46.82	360.95	7.94	-38.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300010975442	0	32	-1.0	-45.66	297.84	5.13	-40.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300010975443	0	39	-1.0	-47.68	321.81	6.62	-41.06
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975444	0	37	-1.0	-54.72	313.29	3.27	-51.45
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300010975445	0	37	-1.0	-48.26	317.22	3.31	-44.95
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)C1	REAL300010975446	0	39	-1.0	-50.58	356.33	3.72	-46.86
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975447	0	36	-1.0	-52.27	334.06	2.28	-49.99
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300010975448	0	37	-1.0	-47.98	313.62	6.54	-41.44
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975449	0	39	-1.0	-58.97	322.92	3.51	-55.46
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010975450	0	26	-1.0	-45.60	276.03	4.08	-41.52
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975451	0	44	-1.0	-47.16	362.54	7.64	-39.52
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300010975452	0	35	-1.0	-51.30	294.33	6.14	-45.16
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300010975453	0	39	-1.0	-48.63	333.28	7.54	-41.09
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300010975454	0	32	-1.0	-46.62	304.80	5.44	-41.18
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010975455	0	29	-1.0	-44.37	298.44	5.90	-38.47
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975456	0	44	-1.0	-47.05	349.53	6.92	-40.13
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975457	0	32	-1.0	-47.98	293.96	5.21	-42.77
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C1	REAL300010975458	0	29	-1.0	-44.01	278.18	4.30	-39.71
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010975459	0	29	-1.0	-43.63	287.69	4.73	-38.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C1	REAL300010975460	0	32	-1.0	-49.31	300.49	5.14	-44.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010975461	0	29	-1.0	-43.58	287.73	4.74	-38.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010975462	0	29	-1.0	-43.88	273.41	4.19	-39.69
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300010975463	0	32	-1.0	-43.31	302.83	5.17	-38.14
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300010975464	0	34	-1.0	-54.51	294.60	5.11	-49.40
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C1	REAL300010975465	0	32	-1.0	-44.83	292.63	5.55	-39.28
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300010975466	0	40	-1.0	-47.39	364.77	7.55	-39.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)C1	REAL300010975467	0	29	-1.0	-49.35	277.95	4.63	-44.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C=C2Br)C1	REAL300010975468	0	29	-1.0	-46.20	274.63	4.63	-41.57
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975469	0	35	-1.0	-46.26	311.17	4.67	-41.59
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975470	0	33	-1.0	-46.19	294.21	3.48	-42.71
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010975471	0	29	-1.0	-46.41	274.34	4.47	-41.94
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010975472	0	29	-1.0	-43.38	285.50	4.77	-38.61
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)C=C1	REAL300010975473	0	44	-1.0	-48.14	378.99	6.34	-41.80
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975474	0	36	-1.0	-50.26	328.67	3.62	-46.64
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010975475	0	45	-1.0	-50.37	361.86	7.06	-43.31
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1Cl	REAL300010975476	0	32	-1.0	-48.15	299.52	5.97	-42.18
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300010975477	0	32	-1.0	-46.02	314.87	5.83	-40.19
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010975478	0	39	-1.0	-50.53	321.66	5.51	-45.02
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010975479	0	36	-1.0	-47.70	309.09	1.57	-46.13
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010975480	0	37	-1.0	-51.35	320.31	1.48	-49.87
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975481	0	34	-1.0	-43.98	294.76	5.29	-38.69
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300010975482	0	36	-1.0	-61.56	316.84	2.97	-58.59
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975483	0	34	-1.0	-50.80	289.63	5.15	-45.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975484	0	35	-1.0	-46.86	330.96	5.28	-41.58
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=N2)C1	REAL300010975485	0	28	-1.0	-44.85	275.68	2.82	-42.03
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975486	0	38	-1.0	-59.53	344.11	2.35	-57.18
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1F	REAL300010975487	0	36	-1.0	-50.45	320.52	3.11	-47.34
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300010975488	0	43	-1.0	-57.59	351.46	5.75	-51.84
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1C	REAL300010975489	0	39	-1.0	-50.47	311.60	4.57	-45.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2Br)C1	REAL300010975490	0	29	-1.0	-48.25	273.11	4.53	-43.72
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300010975491	0	40	-1.0	-48.65	342.45	3.64	-45.01
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300010975492	0	32	-1.0	-46.60	304.24	5.48	-41.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)C1	REAL300010975493	0	29	-1.0	-43.28	294.62	5.19	-38.09
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975494	0	42	-1.0	-55.28	362.49	3.93	-51.35
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975495	0	43	-1.0	-58.14	366.03	2.99	-55.15
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975496	0	37	-1.0	-51.53	319.51	6.69	-44.84
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975497	0	41	-1.0	-47.22	340.30	6.82	-40.40
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975498	0	39	-1.0	-47.92	335.65	4.64	-43.28
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975499	0	41	-1.0	-49.30	334.10	2.15	-47.15
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975500	0	32	-1.0	-45.27	283.61	5.15	-40.12
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975501	0	45	-1.0	-46.78	371.02	6.46	-40.32
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300010975502	0	43	-1.0	-47.05	353.13	6.32	-40.73
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975503	0	42	-1.0	-46.88	352.06	5.85	-41.03
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975504	0	39	-1.0	-46.97	331.96	5.16	-41.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975505	0	33	-1.0	-45.78	304.01	3.96	-41.82
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300010975506	0	33	-1.0	-47.54	313.80	4.24	-43.30
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010975507	0	42	-1.0	-46.98	347.87	5.70	-41.28
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975508	0	40	-1.0	-49.38	344.08	3.63	-45.75
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975509	0	40	-1.0	-53.04	349.85	3.80	-49.24
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300010975510	0	44	-1.0	-52.34	363.87	3.58	-48.76
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Br)=C1	REAL300010975511	0	32	-1.0	-49.82	289.82	5.21	-44.61
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975512	0	35	-1.0	-57.84	325.49	1.92	-55.92
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975513	0	35	-1.0	-57.59	322.23	6.51	-51.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300010975514	0	34	-1.0	-51.68	299.46	4.51	-47.17
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975515	0	35	-1.0	-46.72	335.52	5.39	-41.33
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975516	0	33	-1.0	-49.61	296.82	4.60	-45.01
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975517	0	33	-1.0	-53.11	307.55	5.15	-47.96
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975518	0	46	-1.0	-51.79	397.15	3.31	-48.48
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1OC	REAL300010975519	0	39	-1.0	-49.08	340.58	4.81	-44.27
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300010975520	0	38	-1.0	-46.61	329.31	5.30	-41.31
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975521	0	39	-1.0	-56.58	332.51	-0.19	-56.77
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C1	REAL300010975522	0	38	-1.0	-58.58	327.76	4.20	-54.38
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010975523	0	38	-1.0	-53.94	328.28	5.30	-48.64
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975524	0	38	-1.0	-47.96	317.10	4.03	-43.93
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975525	0	38	-1.0	-55.50	323.10	5.40	-50.10
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975526	0	41	-1.0	-47.92	315.04	7.00	-40.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300010975527	0	42	-1.0	-55.27	357.18	6.78	-48.49
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975528	0	37	-1.0	-60.46	325.18	3.54	-56.92
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1Cl	REAL300010975529	0	36	-1.0	-51.16	336.59	3.91	-47.25
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300010975530	0	36	-1.0	-53.54	323.24	5.42	-48.12
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1F	REAL300010975531	0	35	-1.0	-49.07	322.94	4.79	-44.28
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010975532	0	33	-1.0	-46.77	309.45	4.26	-42.51
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010975533	0	39	-1.0	-49.69	347.88	6.13	-43.56
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(Br)O1	REAL300010975534	0	32	-1.0	-45.07	311.21	3.29	-41.78
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C(Br)S1	REAL300010975535	0	29	-1.0	-46.50	281.44	4.39	-42.11
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN1	REAL300010975536	0	33	-1.0	-50.02	302.49	2.48	-47.54
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975537	0	30	-1.0	-44.16	294.70	4.91	-39.25
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975538	0	37	-1.0	-57.97	303.11	6.54	-51.43
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975539	0	35	-1.0	-53.18	319.49	5.05	-48.13
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975540	0	38	-1.0	-57.97	327.13	2.15	-55.82
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300010975541	0	33	-1.0	-45.96	306.93	5.87	-40.09
N#CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Cl	REAL300010975542	0	30	-1.0	-44.15	294.72	4.91	-39.24
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975543	0	45	-1.0	-52.73	370.30	5.85	-46.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C1	REAL300010975544	0	40	-1.0	-53.36	347.15	4.10	-49.26
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300010975545	0	41	-1.0	-50.13	368.11	1.98	-48.15
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975546	0	37	-1.0	-52.12	335.72	0.30	-51.82
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975547	0	39	-1.0	-55.60	355.28	3.05	-52.55
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)O1	REAL300010975548	0	32	-1.0	-51.20	297.54	2.93	-48.27
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975549	0	35	-1.0	-50.23	317.50	3.66	-46.57
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010975550	0	31	-1.0	-59.73	277.57	6.02	-53.71
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300010975551	0	32	-1.0	-48.90	316.69	5.86	-43.04
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(C)N1	REAL300010975552	0	42	-1.0	-46.62	352.59	4.75	-41.87
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010975553	0	29	-1.0	-51.96	277.75	5.07	-46.89
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)S2)=CS1	REAL300010975554	0	35	-1.0	-48.52	338.58	4.68	-43.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300010975555	0	49	-1.0	-46.79	393.69	7.75	-39.04
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)C1	REAL300010975556	0	39	-1.0	-51.49	356.36	3.71	-47.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(I)=C2)C1	REAL300010975557	0	29	-1.0	-45.64	286.88	5.23	-40.41
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975558	0	38	-1.0	-53.37	321.16	5.28	-48.09
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010975559	0	31	-1.0	-52.42	296.72	6.49	-45.93
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300010975560	0	37	-1.0	-47.89	319.38	3.27	-44.62
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300010975561	0	40	-1.0	-49.97	325.14	3.82	-46.15
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010975562	0	31	-1.0	-49.69	293.87	6.58	-43.11
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300010975563	0	32	-1.0	-49.78	298.08	5.03	-44.75
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975564	0	30	-1.0	-53.15	285.24	4.66	-48.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Br)=C1	REAL300010975565	0	35	-1.0	-47.01	322.92	5.21	-41.80
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300010975566	0	32	-1.0	-48.02	297.99	5.30	-42.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=C(C=C2Br)NC(=O)N3)C1	REAL300010975567	0	33	-1.0	-51.88	302.80	1.37	-50.51
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300010975568	0	35	-1.0	-54.56	318.79	2.92	-51.64
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300010975569	0	35	-1.0	-47.48	308.37	6.60	-40.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300010975570	0	34	-1.0	-43.91	314.47	6.15	-37.76
CC1=C(Br)SC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975571	0	29	-1.0	-44.08	292.33	4.44	-39.64
CC1=C(Br)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975572	0	34	-1.0	-44.18	321.51	5.81	-38.37
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC(F)=C1F	REAL300010975573	0	35	-1.0	-46.76	325.06	4.86	-41.90
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300010975574	0	47	-1.0	-46.16	346.17	5.81	-40.35
CC1=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300010975575	0	37	-1.0	-56.93	317.04	5.59	-51.34
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300010975576	0	40	-1.0	-47.99	336.60	2.68	-45.31
CC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1Br	REAL300010975577	0	32	-1.0	-49.88	284.93	5.03	-44.85
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975578	0	35	-1.0	-53.27	318.84	5.32	-47.95
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300010975579	0	37	-1.0	-49.72	316.37	1.89	-47.83
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010975580	0	35	-1.0	-47.43	314.01	4.85	-42.58
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975581	0	35	-1.0	-50.87	305.26	5.67	-45.20
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300010975582	0	36	-1.0	-49.93	318.03	1.76	-48.17
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300010975583	0	35	-1.0	-45.69	329.55	5.23	-40.46
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010975584	0	42	-1.0	-50.58	344.17	6.45	-44.13
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975585	0	39	-1.0	-52.76	327.10	5.57	-47.19
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300010975586	0	34	-1.0	-61.50	307.38	4.31	-57.19
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300010975587	0	36	-1.0	-49.26	320.01	5.26	-44.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300010975588	0	43	-1.0	-54.56	377.53	6.19	-48.37
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300010975589	0	31	-1.0	-51.02	302.89	5.24	-45.78
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975590	0	43	-1.0	-49.48	365.94	4.59	-44.89
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975591	0	45	-1.0	-46.87	374.95	6.72	-40.15
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010975592	0	31	-1.0	-57.46	277.16	6.07	-51.39
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1F	REAL300010975593	0	35	-1.0	-46.91	317.82	4.78	-42.13
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300010975594	0	35	-1.0	-44.80	332.77	5.50	-39.30
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975595	0	39	-1.0	-57.69	338.49	4.64	-53.05
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975596	0	32	-1.0	-53.35	306.39	3.83	-49.52
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975597	0	41	-1.0	-46.55	338.29	5.82	-40.73
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1C	REAL300010975598	0	38	-1.0	-49.54	329.32	5.29	-44.25
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975599	0	35	-1.0	-53.91	316.48	4.77	-49.14
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300010975600	0	39	-1.0	-50.47	307.00	6.44	-44.03
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300010975601	0	35	-1.0	-49.87	307.51	5.94	-43.93
O=C([O-])C1CCN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010975602	0	28	-1.0	-47.79	274.95	2.96	-44.83
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300010975603	0	33	-1.0	-45.08	315.47	5.59	-39.49
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975604	0	43	-1.0	-50.16	369.56	2.04	-48.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300010975605	0	29	-1.0	-43.32	285.50	4.77	-38.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300010975606	0	36	-1.0	-66.74	323.74	2.01	-64.73
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975607	0	32	-1.0	-48.08	284.60	5.18	-42.90
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300010975608	0	33	-1.0	-45.66	308.41	4.08	-41.58
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C2O1	REAL300010975609	0	40	-1.0	-48.23	336.91	5.36	-42.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975610	0	37	-1.0	-49.89	337.48	0.88	-49.01
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1OC	REAL300010975611	0	46	-1.0	-51.26	389.42	3.27	-47.99
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975612	0	33	-1.0	-48.24	297.61	3.86	-44.38
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975613	0	38	-1.0	-53.62	341.24	2.55	-51.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300010975614	0	31	-1.0	-46.32	307.43	4.04	-42.28
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975615	0	34	-1.0	-57.68	307.46	4.88	-52.80
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975616	0	30	-1.0	-45.83	301.57	5.13	-40.70
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300010975617	0	36	-1.0	-45.53	330.26	5.00	-40.53
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300010975618	0	34	-1.0	-49.37	309.20	-0.43	-49.80
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2S1	REAL300010975619	0	43	-1.0	-49.02	372.16	6.08	-42.94
COC(=O)CC1(CS(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975620	0	38	-1.0	-51.61	325.39	4.62	-46.99
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975621	0	34	-1.0	-49.50	317.98	4.46	-45.04
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300010975622	0	37	-1.0	-55.02	322.78	5.40	-49.62
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975623	0	45	-1.0	-58.08	395.56	2.81	-55.27
O=C([O-])C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300010975624	0	35	-1.0	-54.52	298.49	0.50	-54.02
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975625	0	39	-1.0	-50.18	339.40	5.04	-45.14
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300010975626	0	34	-1.0	-54.26	307.36	4.31	-49.95
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1	REAL300010975627	0	39	-1.0	-46.70	317.85	4.85	-41.85
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975628	0	37	-1.0	-51.61	335.69	0.30	-51.31
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975629	0	38	-1.0	-57.79	330.86	5.87	-51.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300010975630	0	33	-1.0	-48.22	292.71	4.27	-43.95
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975631	0	33	-1.0	-47.78	299.28	5.15	-42.63
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975632	0	41	-1.0	-48.23	357.23	6.51	-41.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)C1	REAL300010975633	0	35	-1.0	-50.05	311.09	3.61	-46.44
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300010975634	0	35	-1.0	-50.18	322.29	5.87	-44.31
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975635	0	40	-1.0	-46.87	328.98	5.90	-40.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300010975636	0	28	-1.0	-47.02	278.27	3.03	-43.99
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300010975637	0	35	-1.0	-50.31	297.25	3.77	-46.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300010975638	0	34	-1.0	-49.58	289.05	4.28	-45.30
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975639	0	32	-1.0	-45.16	288.18	5.25	-39.91
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C1	REAL300010975640	0	37	-1.0	-49.57	318.33	3.29	-46.28
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975641	0	45	-1.0	-54.07	374.23	5.06	-49.01
COC1=CC(Br)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300010975642	0	37	-1.0	-47.02	326.81	3.76	-43.26
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OCC	REAL300010975643	0	43	-1.0	-47.95	360.93	5.15	-42.80
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010975644	0	35	-1.0	-60.21	303.68	2.92	-57.29
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975645	0	34	-1.0	-52.06	313.35	-0.91	-52.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)C1	REAL300010975646	0	40	-1.0	-56.55	336.90	5.25	-51.30
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975647	0	43	-1.0	-53.54	351.18	5.70	-47.84
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975648	0	37	-1.0	-42.84	312.61	5.85	-36.99
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975649	0	35	-1.0	-48.79	313.85	4.79	-44.00
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975650	0	40	-1.0	-53.83	338.69	5.17	-48.66
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975651	0	36	-1.0	-53.07	315.52	2.41	-50.66
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2CC1C	REAL300010975652	0	43	-1.0	-50.20	354.09	5.68	-44.52
COC(=O)C1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=CS1	REAL300010975653	0	32	-1.0	-53.04	299.63	4.42	-48.62
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975654	0	32	-1.0	-47.22	307.34	3.88	-43.34
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010975655	0	33	-1.0	-44.39	315.15	5.29	-39.10
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975656	0	35	-1.0	-56.58	310.26	2.66	-53.92
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)C1	REAL300010975657	0	35	-1.0	-56.66	315.19	1.15	-55.51
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)C1	REAL300010975658	0	35	-1.0	-49.71	309.26	1.34	-48.37
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)C1	REAL300010975659	0	35	-1.0	-48.20	316.23	1.69	-46.51
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=C2N=C1	REAL300010975660	0	37	-1.0	-53.99	316.00	5.74	-48.25
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300010975661	0	35	-1.0	-54.40	309.50	5.29	-49.11
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975662	0	33	-1.0	-46.37	299.68	4.53	-41.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300010975663	0	33	-1.0	-50.27	299.46	4.49	-45.78
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975664	0	34	-1.0	-52.66	313.26	-0.91	-53.57
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975665	0	35	-1.0	-49.68	313.89	4.78	-44.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300010975666	0	41	-1.0	-50.67	367.55	1.96	-48.71
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010975667	0	34	-1.0	-48.40	311.17	5.53	-42.87
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Cl)=C1	REAL300010975668	0	32	-1.0	-49.93	287.47	5.12	-44.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)C1	REAL300010975669	0	35	-1.0	-55.22	314.02	0.49	-54.73
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975670	0	35	-1.0	-53.71	319.81	1.65	-52.06
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2C1=O	REAL300010975671	0	36	-1.0	-51.14	324.77	3.39	-47.75
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975672	0	37	-1.0	-48.20	326.81	5.70	-42.50
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300010975673	0	38	-1.0	-47.40	315.81	5.43	-41.97
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010975674	0	37	-1.0	-49.22	308.52	5.10	-44.12
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975675	0	35	-1.0	-48.66	313.26	4.08	-44.58
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)C1	REAL300010975676	0	34	-1.0	-48.48	306.36	5.60	-42.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300010975677	0	37	-1.0	-55.57	318.85	7.23	-48.34
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)C1	REAL300010975678	0	43	-1.0	-49.31	354.17	4.84	-44.47
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975679	0	33	-1.0	-45.12	318.89	5.26	-39.86
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300010975680	0	33	-1.0	-44.28	304.51	3.90	-40.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975681	0	40	-1.0	-51.53	355.40	2.09	-49.44
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C=C2Cl)C1	REAL300010975682	0	29	-1.0	-46.81	272.06	4.52	-42.29
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010975683	0	31	-1.0	-57.75	293.32	6.37	-51.38
O=C([O-])C1CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300010975684	0	41	-1.0	-60.85	344.47	3.46	-57.39
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300010975685	0	39	-1.0	-48.16	320.07	7.54	-40.62
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975686	0	38	-1.0	-49.33	335.76	5.71	-43.62
CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975687	0	43	-1.0	-48.74	351.08	4.01	-44.73
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300010975688	0	29	-1.0	-45.54	280.38	4.75	-40.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010975689	0	31	-1.0	-46.35	287.31	4.80	-41.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300010975690	0	35	-1.0	-49.19	304.46	6.40	-42.79
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975691	0	36	-1.0	-55.17	315.43	3.02	-52.15
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975692	0	34	-1.0	-51.46	294.66	5.29	-46.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010975693	0	31	-1.0	-57.95	280.05	5.99	-51.96
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975694	0	36	-1.0	-51.55	326.98	5.52	-46.03
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300010975695	0	35	-1.0	-50.80	303.01	3.26	-47.54
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975696	0	44	-1.0	-50.79	342.79	6.99	-43.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300010975697	0	29	-1.0	-43.30	290.41	5.08	-38.22
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300010975698	0	29	-1.0	-48.08	281.51	4.92	-43.16
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300010975699	0	32	-1.0	-46.02	298.17	5.14	-40.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010975700	0	32	-1.0	-48.85	286.25	5.48	-43.37
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300010975701	0	32	-1.0	-43.10	310.40	5.53	-37.57
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300010975702	0	32	-1.0	-48.43	303.52	5.40	-43.03
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300010975703	0	29	-1.0	-43.38	281.08	4.67	-38.71
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)=CO1	REAL300010975704	0	38	-1.0	-50.87	335.49	3.19	-47.68
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300010975705	0	28	-1.0	-43.74	285.58	3.20	-40.54
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975706	0	33	-1.0	-48.37	294.98	3.76	-44.61
COC(=O)C1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010975707	0	38	-1.0	-49.28	343.89	6.76	-42.52
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975708	0	38	-1.0	-53.25	336.06	5.58	-47.67
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=N2)C=C1	REAL300010975709	0	39	-1.0	-50.83	341.41	5.93	-44.90
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300010975710	0	40	-1.0	-65.53	337.98	5.15	-60.38
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975711	0	30	-1.0	-51.21	284.54	4.53	-46.68
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300010975712	0	43	-1.0	-52.21	361.19	3.57	-48.64
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300010975713	0	37	-1.0	-45.60	332.28	5.23	-40.37
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010975714	0	34	-1.0	-46.03	302.72	5.29	-40.74
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300010975715	0	43	-1.0	-44.73	374.32	6.73	-38.00
COC(=O)C1=COC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975716	0	32	-1.0	-49.78	299.32	2.87	-46.91
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300010975717	0	40	-1.0	-53.77	346.02	4.91	-48.86
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300010975718	0	31	-1.0	-48.01	291.43	3.61	-44.40
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975719	0	39	-1.0	-53.04	326.48	4.33	-48.71
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1C	REAL300010975720	0	39	-1.0	-63.34	333.39	3.89	-59.45
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300010975721	0	41	-1.0	-49.37	333.00	4.67	-44.70
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN=C1Cl	REAL300010975722	0	31	-1.0	-44.68	289.18	3.33	-41.35
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300010975723	0	35	-1.0	-50.23	309.92	3.17	-47.06
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975724	0	38	-1.0	-47.91	332.48	5.76	-42.15
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300010975725	0	37	-1.0	-49.84	318.42	2.73	-47.11
CN1C=NC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975726	0	35	-1.0	-57.71	307.40	5.50	-52.21
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1CC	REAL300010975727	0	41	-1.0	-47.98	335.56	6.67	-41.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975728	0	37	-1.0	-44.85	310.71	6.17	-38.68
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(C)O1	REAL300010975729	0	35	-1.0	-50.38	310.62	3.51	-46.87
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975730	0	30	-1.0	-43.56	275.85	2.03	-41.53
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975731	0	31	-1.0	-49.55	294.66	2.89	-46.66
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC(C)=C1F	REAL300010975732	0	35	-1.0	-46.00	306.21	5.46	-40.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300010975733	0	37	-1.0	-60.51	318.08	2.56	-57.95
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN1C	REAL300010975734	0	36	-1.0	-49.19	319.71	4.23	-44.96
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300010975735	0	29	-1.0	-44.36	282.59	4.71	-39.65
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975736	0	40	-1.0	-50.60	341.56	5.96	-44.64
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300010975737	0	32	-1.0	-46.28	305.54	5.42	-40.86
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(N)=O	REAL300010975738	0	34	-1.0	-50.21	300.55	0.29	-49.92
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975739	0	32	-1.0	-43.72	283.26	5.13	-38.59
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975740	0	40	-1.0	-53.14	338.00	4.47	-48.67
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN1C	REAL300010975741	0	37	-1.0	-50.35	322.48	1.78	-48.57
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1	REAL300010975742	0	39	-1.0	-47.94	311.10	4.83	-43.11
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300010975743	0	37	-1.0	-50.67	325.34	3.64	-47.03
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975744	0	38	-1.0	-49.22	337.76	5.52	-43.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300010975745	0	40	-1.0	-48.94	334.02	4.25	-44.69
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975746	0	38	-1.0	-53.74	338.04	5.50	-48.24
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)O1	REAL300010975747	0	35	-1.0	-51.05	319.41	3.85	-47.20
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010975748	0	40	-1.0	-49.22	343.67	8.24	-40.98
COC(=O)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975749	0	39	-1.0	-51.84	344.96	5.05	-46.79
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975750	0	42	-1.0	-51.12	365.92	5.20	-45.92
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300010975751	0	39	-1.0	-46.84	316.45	4.67	-42.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300010975752	0	33	-1.0	-58.60	297.52	4.50	-54.10
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010975753	0	32	-1.0	-50.19	290.48	5.75	-44.44
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010975754	0	31	-1.0	-51.58	301.34	6.61	-44.97
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975755	0	34	-1.0	-51.38	284.78	6.13	-45.25
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300010975756	0	31	-1.0	-46.28	296.45	5.24	-41.04
O=C([O-])C1CCN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010975757	0	26	-1.0	-47.31	266.93	3.85	-43.46
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300010975758	0	33	-1.0	-50.47	290.78	4.37	-46.10
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300010975759	0	37	-1.0	-48.40	304.17	5.33	-43.07
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010975760	0	31	-1.0	-52.08	294.94	3.49	-48.59
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300010975761	0	37	-1.0	-53.31	320.58	3.25	-50.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300010975762	0	34	-1.0	-53.06	289.56	4.37	-48.69
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010975763	0	28	-1.0	-46.24	282.63	3.19	-43.05
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300010975764	0	31	-1.0	-49.03	289.00	4.74	-44.29
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300010975765	0	31	-1.0	-43.94	302.89	5.24	-38.70
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975766	0	38	-1.0	-55.47	338.09	2.61	-52.86
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010975767	0	34	-1.0	-47.69	311.30	4.89	-42.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010975768	0	31	-1.0	-59.79	292.41	5.57	-54.22
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300010975769	0	31	-1.0	-44.37	294.07	4.86	-39.51
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300010975770	0	36	-1.0	-49.63	330.00	4.82	-44.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010975771	0	31	-1.0	-57.36	297.88	6.47	-50.89
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300010975772	0	43	-1.0	-48.39	370.36	7.42	-40.97
CC1(C)C2CCC1(CS(=O)(=O)N1CCC(C(=O)[O-])C1)C(=O)C2	REAL300010975773	0	44	-1.0	-52.04	338.36	6.71	-45.33
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300010975774	0	37	-1.0	-53.57	337.98	0.70	-52.87
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975775	0	37	-1.0	-52.63	322.19	5.40	-47.23
CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975776	0	42	-1.0	-47.53	347.41	2.98	-44.55
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300010975777	0	38	-1.0	-50.02	334.67	5.25	-44.77
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300010975778	0	39	-1.0	-48.87	345.42	5.71	-43.16
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975779	0	51	-1.0	-45.29	396.77	7.08	-38.21
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975780	0	35	-1.0	-52.95	321.41	5.12	-47.83
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975781	0	37	-1.0	-52.97	332.68	0.84	-52.13
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1F	REAL300010975782	0	35	-1.0	-58.56	323.65	1.66	-56.90
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(F)C=C1F	REAL300010975783	0	32	-1.0	-44.72	287.37	4.76	-39.96
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975784	0	36	-1.0	-52.06	323.24	5.16	-46.90
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975785	0	41	-1.0	-49.62	349.87	5.69	-43.93
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2F)N=C1	REAL300010975786	0	39	-1.0	-55.65	343.10	6.14	-49.51
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975787	0	36	-1.0	-48.93	335.46	3.69	-45.24
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975788	0	36	-1.0	-52.89	323.05	-1.12	-54.01
CC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975789	0	32	-1.0	-46.50	287.42	4.78	-41.72
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975790	0	34	-1.0	-45.73	309.83	5.62	-40.11
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300010975791	0	35	-1.0	-47.31	315.86	5.23	-42.08
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010975792	0	26	-1.0	-45.44	280.67	4.19	-41.25
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300010975793	0	41	-1.0	-49.81	352.79	6.11	-43.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300010975794	0	29	-1.0	-48.75	283.05	4.76	-43.99
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010975795	0	35	-1.0	-48.89	312.93	5.63	-43.26
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010975796	0	35	-1.0	-46.79	331.39	4.91	-41.88
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300010975797	0	37	-1.0	-50.00	325.75	3.85	-46.15
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975798	0	36	-1.0	-51.20	327.79	4.74	-46.46
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300010975799	0	32	-1.0	-48.61	309.50	5.52	-43.09
CC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300010975800	0	33	-1.0	-51.16	299.18	1.10	-50.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300010975801	0	38	-1.0	-49.16	340.63	6.98	-42.18
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300010975802	0	31	-1.0	-52.08	294.94	3.49	-48.59
O=C([O-])C1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300010975803	0	31	-1.0	-50.05	294.95	5.13	-44.92
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975804	0	35	-1.0	-57.87	311.90	6.08	-51.79
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300010975805	0	32	-1.0	-51.31	296.30	5.31	-46.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300010975806	0	41	-1.0	-58.88	355.68	2.63	-56.25
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CN=C2S1	REAL300010975807	0	43	-1.0	-48.00	383.84	5.74	-42.26
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010975808	0	36	-1.0	-46.46	328.94	4.65	-41.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010975809	0	29	-1.0	-47.98	286.08	5.02	-42.96
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300010975810	0	37	-1.0	-50.45	332.77	3.98	-46.47
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CN=C21	REAL300010975811	0	37	-1.0	-46.97	328.42	1.61	-45.36
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1F	REAL300010975812	0	38	-1.0	-46.64	339.69	5.71	-40.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300010975813	0	37	-1.0	-53.20	322.84	5.02	-48.18
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300010975814	0	32	-1.0	-47.60	314.79	6.08	-41.52
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300010975815	0	35	-1.0	-49.58	321.13	6.90	-42.68
O=C([O-])C1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300010975816	0	32	-1.0	-46.50	305.84	5.79	-40.71
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300010975817	0	35	-1.0	-51.03	306.26	7.03	-44.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300010975818	0	35	-1.0	-54.04	310.65	6.68	-47.36
COC1=CC(Br)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975819	0	33	-1.0	-45.80	313.62	4.42	-41.38
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C2O1	REAL300010975820	0	43	-1.0	-51.87	372.93	6.36	-45.51
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975821	0	35	-1.0	-52.78	323.58	1.65	-51.13
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975822	0	42	-1.0	-54.53	365.64	5.66	-48.87
O=C([O-])C1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300010975823	0	40	-1.0	-52.12	359.19	1.20	-50.92
N#CC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300010975824	0	30	-1.0	-47.83	288.73	4.80	-43.03
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1N(C)C	REAL300010975825	0	40	-1.0	-48.11	333.10	4.76	-43.35
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975826	0	34	-1.0	-49.34	307.14	5.65	-43.69
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975827	0	32	-1.0	-53.68	293.10	4.55	-49.13
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975828	0	35	-1.0	-50.51	321.82	6.35	-44.16
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975829	0	41	-1.0	-47.70	335.09	4.60	-43.10
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975830	0	35	-1.0	-54.46	319.20	1.63	-52.83
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C1(C)NC(=O)NC1=O	REAL300010975831	0	45	-1.0	-51.23	378.72	1.78	-49.45
CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975832	0	43	-1.0	-53.63	353.55	4.84	-48.79
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975833	0	37	-1.0	-55.72	317.46	5.66	-50.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300010975834	0	44	-1.0	-51.45	381.57	3.24	-48.21
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975835	0	39	-1.0	-54.89	335.75	3.84	-51.05
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300010975836	0	32	-1.0	-50.67	304.95	5.41	-45.26
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010975837	0	30	-1.0	-54.93	276.19	5.12	-49.81
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975838	0	38	-1.0	-56.57	327.70	5.95	-50.62
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300010975839	0	29	-1.0	-48.43	271.19	4.46	-43.97
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975840	0	48	-1.0	-58.17	360.25	6.85	-51.32
O=C([O-])C1CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300010975841	0	32	-1.0	-48.93	309.99	5.74	-43.19
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975842	0	36	-1.0	-50.11	330.55	3.60	-46.51
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C2O1	REAL300010975843	0	37	-1.0	-48.34	316.34	4.73	-43.61
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975844	0	33	-1.0	-45.93	311.00	4.32	-41.61
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975845	0	41	-1.0	-55.51	338.99	2.72	-52.79
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CS1	REAL300010975846	0	32	-1.0	-46.83	305.81	3.80	-43.03
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975847	0	38	-1.0	-57.59	344.20	6.98	-50.61
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300010975848	0	40	-1.0	-48.36	364.52	7.50	-40.86
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975849	0	38	-1.0	-50.68	315.63	5.15	-45.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300010975850	0	31	-1.0	-43.97	308.96	5.41	-38.56
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975851	0	33	-1.0	-45.21	311.26	4.85	-40.36
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975852	0	41	-1.0	-51.75	336.18	4.68	-47.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010975853	0	31	-1.0	-52.87	287.32	4.80	-48.07
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)=C1	REAL300010975854	0	43	-1.0	-48.14	369.21	7.64	-40.50
CN(CCS(=O)(=O)N1CCC(C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010975855	0	43	-1.0	-50.42	383.04	3.07	-47.35
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300010975856	0	32	-1.0	-47.68	290.90	1.63	-46.05
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975857	0	37	-1.0	-49.97	322.75	4.58	-45.39
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010975858	0	29	-1.0	-45.38	286.87	5.23	-40.15
COC(=O)C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300010975859	0	40	-1.0	-52.23	331.82	3.95	-48.28
COC1=C(C)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300010975860	0	39	-1.0	-48.36	332.77	5.00	-43.36
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300010975861	0	38	-1.0	-53.64	346.23	4.77	-48.87
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)N=C3SC=CN32)C1	REAL300010975862	0	29	-1.0	-54.13	291.28	4.23	-49.90
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300010975863	0	42	-1.0	-55.33	380.18	6.31	-49.02
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300010975864	0	38	-1.0	-55.00	337.85	6.00	-49.00
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010975865	0	35	-1.0	-52.51	325.00	4.84	-47.67
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010975866	0	35	-1.0	-46.56	341.71	5.36	-41.20
O=C([O-])C1CCN(S(=O)(=O)CCOCC(F)(F)F)C1	REAL300010975867	0	32	-1.0	-48.77	298.13	2.33	-46.44
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2O1	REAL300010975868	0	34	-1.0	-51.23	302.79	1.80	-49.43
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975869	0	41	-1.0	-46.05	311.01	7.02	-39.03
CC1=CC(Br)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975871	0	29	-1.0	-46.67	288.93	4.68	-41.99
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)C1	REAL300010975872	0	34	-1.0	-53.21	318.30	4.88	-48.33
CC1=C(Br)SC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300010975873	0	28	-1.0	-45.35	287.22	2.46	-42.89
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975874	0	34	-1.0	-49.84	299.19	5.31	-44.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)C1	REAL300010975875	0	33	-1.0	-48.63	311.29	2.99	-45.64
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010975876	0	34	-1.0	-54.55	300.97	5.92	-48.63
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300010975877	0	37	-1.0	-51.72	323.96	6.02	-45.70
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010975878	0	37	-1.0	-50.66	332.67	6.31	-44.35
CC1=NN2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=NC2=C1Cl	REAL300010975879	0	34	-1.0	-47.83	320.47	4.08	-43.75
CCCCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(=O)NC1=O	REAL300010975880	0	47	-1.0	-59.53	392.67	4.82	-54.71
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010975881	0	29	-1.0	-41.91	285.75	4.59	-37.32
O=C([O-])C1CCN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300010975882	0	32	-1.0	-51.27	293.57	4.91	-46.36
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCC(C(=O)[O-])C4)C=CC1=C23	REAL300010975883	0	40	-1.0	-51.47	338.55	5.83	-45.64
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975884	0	33	-1.0	-52.47	309.05	5.28	-47.19
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300010975885	0	34	-1.0	-50.15	312.50	5.44	-44.71
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975886	0	35	-1.0	-50.47	311.48	5.91	-44.56
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(OC)=C1	REAL300010975887	0	44	-1.0	-51.80	381.61	1.51	-50.29
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975888	1	44	-1.0	-59.41	368.86	1.32	-58.09
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975889	0	43	-1.0	-50.34	380.41	2.56	-47.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCCC3)C(F)=C2)C1	REAL300010975890	0	43	-1.0	-57.03	364.38	5.31	-51.72
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300010975891	0	32	-1.0	-63.76	288.37	3.62	-60.14
CC1=CC=C(Br)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975892	0	32	-1.0	-49.52	288.13	5.13	-44.39
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975893	0	32	-1.0	-49.60	286.20	5.06	-44.54
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300010975894	0	32	-1.0	-48.93	294.61	4.96	-43.97
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975895	0	40	-1.0	-50.52	358.92	1.77	-48.75
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010975896	0	28	-1.0	-46.57	276.77	3.53	-43.04
COC(=O)C1=NC=CC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=CC=C12	REAL300010975897	0	40	-1.0	-48.42	339.94	4.84	-43.58
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300010975898	0	32	-1.0	-47.38	316.33	5.93	-41.45
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975899	0	37	-1.0	-62.54	339.15	2.44	-60.10
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010975900	0	29	-1.0	-46.09	291.40	5.66	-40.43
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010975901	0	28	-1.0	-46.09	278.67	3.09	-43.00
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300010975902	0	34	-1.0	-47.21	310.18	2.95	-44.26
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(Cl)S1	REAL300010975903	0	32	-1.0	-53.83	320.24	1.00	-52.83
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975904	0	48	-1.0	-54.94	414.30	5.09	-49.85
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300010975905	0	37	-1.0	-47.65	312.21	4.73	-42.92
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975906	0	39	-1.0	-47.12	328.35	4.98	-42.14
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975907	0	43	-1.0	-55.05	394.78	1.75	-53.30
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975908	0	38	-1.0	-57.76	347.50	3.95	-53.81
O=C([O-])C1CCN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300010975909	0	40	-1.0	-50.37	317.03	10.03	-40.34
CC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1Cl	REAL300010975910	0	32	-1.0	-49.92	283.53	4.97	-44.95
CC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300010975911	0	34	-1.0	-47.11	316.04	5.15	-41.96
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300010975912	0	40	-1.0	-48.67	363.29	3.08	-45.59
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300010975913	0	42	-1.0	-50.72	357.44	6.76	-43.96
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975914	0	33	-1.0	-50.13	318.00	5.61	-44.52
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300010975915	0	38	-1.0	-56.88	325.51	7.94	-48.94
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010975916	0	37	-1.0	-57.70	304.76	5.66	-52.04
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300010975917	0	35	-1.0	-53.73	296.60	5.68	-48.05
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010975918	0	42	-1.0	-54.34	346.14	5.15	-49.19
O=C([O-])C1CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300010975919	0	41	-1.0	-47.57	332.87	1.11	-46.46
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300010975920	0	35	-1.0	-46.31	328.07	2.20	-44.11
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975921	0	38	-1.0	-46.74	342.50	5.77	-40.97
CCC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300010975922	0	38	-1.0	-43.72	331.28	4.21	-39.51
O=C([O-])C1CCN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300010975923	0	46	-1.0	-62.16	372.45	6.02	-56.14
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975924	0	42	-1.0	-48.67	366.49	5.83	-42.84
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Cl)=C1	REAL300010975925	0	30	-1.0	-48.13	286.39	4.85	-43.28
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975926	0	33	-1.0	-49.37	310.74	4.64	-44.73
O=C([O-])C1CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300010975927	0	34	-1.0	-56.02	306.24	4.20	-51.82
O=C([O-])C1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300010975928	0	49	-1.0	-49.85	379.54	5.82	-44.03
O=C([O-])C1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300010975929	0	43	-1.0	-50.67	350.17	4.40	-46.27
O=C([O-])C1CCN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300010975930	0	40	-1.0	-46.42	358.02	4.91	-41.51
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300010975931	0	35	-1.0	-46.26	308.50	1.73	-44.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300010975932	0	31	-1.0	-45.32	294.97	3.43	-41.89
COC(=O)C1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)SC=N1	REAL300010975933	0	31	-1.0	-55.16	288.52	2.24	-52.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975934	0	35	-1.0	-47.06	320.64	4.84	-42.22
CCCC[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010977001	0	36	-1.0	-51.70	330.33	4.05	-47.65
CCCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010977002	0	44	-1.0	-61.55	376.71	5.21	-56.34
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300010977003	0	35	-1.0	-59.11	319.52	3.61	-55.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010977004	0	44	-1.0	-62.36	373.15	4.36	-58.00
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010977005	0	46	-1.0	-54.20	372.49	5.12	-49.08
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010977006	0	36	-1.0	-47.92	328.99	3.79	-44.13
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010977007	0	40	-1.0	-54.42	349.83	3.58	-50.84
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010977008	0	43	-1.0	-54.21	372.02	6.25	-47.96
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300010977009	0	38	-1.0	-57.58	334.02	5.23	-52.35
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010977010	0	42	-1.0	-56.04	357.50	3.16	-52.88
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010977011	0	40	-1.0	-57.89	346.50	5.92	-51.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300010977012	0	46	-1.0	-54.80	375.54	7.11	-47.69
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010977013	0	42	-1.0	-46.15	349.23	6.66	-39.49
CCCC[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977014	0	40	-1.0	-55.74	355.43	4.03	-51.71
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010977015	0	35	-1.0	-50.69	320.18	2.53	-48.16
CCCC[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010977016	0	36	-1.0	-54.79	328.28	3.33	-51.46
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010977017	0	40	-1.0	-50.55	345.55	5.88	-44.67
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010977018	0	42	-1.0	-68.55	357.83	3.02	-65.53
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010977019	0	41	-1.0	-54.32	360.20	4.68	-49.64
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010977020	0	34	-1.0	-49.00	321.42	5.15	-43.85
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010977021	0	33	-1.0	-49.06	310.05	3.26	-45.80
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010977022	0	45	-1.0	-56.22	381.09	6.38	-49.84
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010977023	0	37	-1.0	-57.19	344.72	5.80	-51.39
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010977024	0	39	-1.0	-54.91	341.22	0.72	-54.19
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010977025	0	37	-1.0	-51.45	327.17	5.90	-45.55
CCCC[C@@H](NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300010977026	0	45	-1.0	-62.10	372.47	5.26	-56.84
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010977027	0	42	-1.0	-54.75	362.91	2.23	-52.52
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010977028	0	44	-1.0	-50.31	350.73	5.26	-45.05
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010977029	0	42	-1.0	-43.52	368.95	4.28	-39.24
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010977030	0	43	-1.0	-59.23	376.93	5.91	-53.32
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010977031	0	45	-1.0	-54.81	373.99	4.67	-50.14
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977032	0	43	-1.0	-63.98	376.69	5.92	-58.06
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010977033	0	40	-1.0	-53.41	360.89	4.34	-49.07
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010977034	0	45	-1.0	-54.60	382.70	8.66	-45.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010977035	0	44	-1.0	-59.29	384.11	5.49	-53.80
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010977036	0	47	-1.0	-55.71	405.30	5.61	-50.10
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010977037	0	44	-1.0	-55.56	360.21	5.40	-50.16
CCCC[C@@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010977038	0	38	-1.0	-56.51	336.63	4.94	-51.57
CCCC[C@@H](NS(=O)(=O)CCCC(=O)OCC)C(=O)[O-]	REAL300010977039	0	42	-1.0	-61.88	360.79	4.76	-57.12
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977040	0	37	-1.0	-56.55	332.21	6.56	-49.99
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977041	0	36	-1.0	-52.45	334.04	6.68	-45.77
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977042	0	39	-1.0	-59.52	328.98	6.96	-52.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010977043	0	36	-1.0	-46.77	340.58	5.89	-40.88
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010977044	0	31	-1.0	-53.91	298.80	3.50	-50.41
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010977045	0	38	-1.0	-51.42	332.99	4.84	-46.58
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010977046	0	42	-1.0	-55.12	343.58	5.76	-49.36
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010977047	0	36	-1.0	-56.35	333.84	3.90	-52.45
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010977048	0	42	-1.0	-46.40	364.59	3.86	-42.54
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010977049	0	39	-1.0	-56.60	333.03	5.03	-51.57
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010977050	0	33	-1.0	-47.70	326.14	3.83	-43.87
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010977051	0	36	-1.0	-47.75	332.62	5.31	-42.44
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010977052	0	36	-1.0	-49.68	342.90	5.67	-44.01
CCCC[C@@H](NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300010977053	0	43	-1.0	-60.57	377.03	3.17	-57.40
CCCC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977054	0	39	-1.0	-53.95	347.01	5.39	-48.56
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977055	0	36	-1.0	-56.27	326.55	5.63	-50.64
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977056	0	36	-1.0	-50.96	332.91	5.31	-45.65
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010977057	0	41	-1.0	-55.10	369.17	5.25	-49.85
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977058	0	36	-1.0	-55.64	334.10	6.68	-48.96
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010977059	0	48	-1.0	-53.68	409.74	7.84	-45.84
CCCC[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010977060	0	49	-1.0	-63.26	376.09	6.91	-56.35
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010977061	0	42	-1.0	-58.97	381.44	1.25	-57.72
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300010977062	0	42	-1.0	-58.95	361.58	5.81	-53.14
CCCC[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010977063	0	47	-1.0	-52.22	375.00	3.01	-49.21
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010977064	0	43	-1.0	-56.82	371.40	5.59	-51.23
CCCC[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010977065	0	44	-1.0	-56.79	385.33	6.12	-50.67
CCCC[C@@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010977066	0	56	-1.0	-55.60	434.97	7.49	-48.11
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010977067	0	42	-1.0	-57.87	371.80	1.27	-56.60
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010977068	0	37	-1.0	-58.10	328.29	5.33	-52.77
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010977069	0	40	-1.0	-61.80	363.33	2.11	-59.69
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010977070	0	37	-1.0	-42.35	331.56	5.39	-36.96
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010977071	0	41	-1.0	-57.34	366.00	5.62	-51.72
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010977072	0	46	-1.0	-54.33	388.99	6.11	-48.22
CCCC[C@@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010977073	0	44	-1.0	-52.19	381.85	6.43	-45.76
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010977074	0	41	-1.0	-56.34	364.30	3.03	-53.31
CCCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010977075	0	41	-1.0	-59.97	361.98	-0.70	-60.67
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010977076	0	37	-1.0	-52.98	330.75	5.35	-47.63
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010977077	0	39	-1.0	-54.93	356.10	6.35	-48.58
CCCC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010977078	0	40	-1.0	-51.83	352.64	5.69	-46.14
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010977079	0	31	-1.0	-37.12	323.15	4.82	-32.30
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010977080	0	46	-1.0	-56.24	393.43	6.57	-49.67
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010977081	0	34	-1.0	-45.71	308.44	4.69	-41.02
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010977082	0	34	-1.0	-42.30	326.07	5.31	-36.99
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977083	0	40	-1.0	-50.67	352.95	6.07	-44.60
CCCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010977084	0	40	-1.0	-55.50	362.48	5.50	-50.00
CCCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010977085	0	42	-1.0	-50.61	364.59	4.28	-46.33
CCCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010977086	0	41	-1.0	-57.66	366.78	5.15	-52.51
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010977087	0	37	-1.0	-54.29	348.73	5.90	-48.39
CCCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010977088	0	38	-1.0	-53.01	338.08	1.52	-51.49
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010977089	0	43	-1.0	-56.00	380.03	7.40	-48.60
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010977090	0	36	-1.0	-56.35	333.84	3.90	-52.45
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010977091	0	36	-1.0	-54.96	340.76	5.86	-49.10
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977092	0	40	-1.0	-59.06	345.34	6.04	-53.02
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010977093	0	37	-1.0	-55.62	335.36	5.72	-49.90
CCCC[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010977094	0	46	-1.0	-69.74	395.04	3.07	-66.67
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010977095	0	41	-1.0	-55.53	368.12	5.03	-50.50
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010977096	0	34	-1.0	-39.49	330.67	5.74	-33.75
CCCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010977097	0	42	-1.0	-49.22	368.21	1.94	-47.28
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977098	0	43	-1.0	-53.59	379.66	6.14	-47.45
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010977099	0	42	-1.0	-56.45	357.29	5.22	-51.23
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010977100	0	37	-1.0	-52.39	354.70	6.50	-45.89
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010977101	0	40	-1.0	-56.98	366.69	7.49	-49.49
CCCC[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010977102	0	37	-1.0	-52.11	350.92	6.42	-45.69
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010977103	0	40	-1.0	-59.03	344.46	7.39	-51.64
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010977104	0	40	-1.0	-57.38	354.34	7.34	-50.04
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300010977105	0	48	-1.0	-54.99	411.77	6.81	-48.18
CCCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010977106	0	40	-1.0	-56.88	363.35	2.11	-54.77
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010977107	0	47	-1.0	-60.11	405.89	6.12	-53.99
CCCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010977108	0	45	-1.0	-59.85	398.12	1.62	-58.23
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010977109	1	35	-1.0	-53.69	326.04	5.20	-48.49
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010977110	0	45	-1.0	-52.80	372.86	5.22	-47.58
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010977111	0	34	-1.0	-49.41	315.36	3.47	-45.94
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010977112	0	39	-1.0	-55.50	350.93	6.42	-49.08
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010977113	0	34	-1.0	-58.36	316.46	3.68	-54.68
CCCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010977114	0	37	-1.0	-56.52	339.58	5.16	-51.36
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977115	0	40	-1.0	-55.57	355.90	6.47	-49.10
CCCC[C@@H](NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300010977116	0	46	-1.0	-51.74	375.75	5.05	-46.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010977117	0	39	-1.0	-53.09	334.20	4.41	-48.68
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010977118	0	40	-1.0	-58.69	358.98	2.09	-56.60
CCCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300010977119	0	48	-1.0	-56.09	392.77	5.30	-50.79
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010977120	0	42	-1.0	-61.92	359.34	6.02	-55.90
CCCC[C@@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010977121	0	37	-1.0	-71.90	327.92	3.79	-68.11
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300010977122	0	44	-1.0	-61.41	374.90	4.27	-57.14
CCCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010977123	0	37	-1.0	-57.26	343.92	5.81	-51.45
CCCC[C@@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977124	0	35	-1.0	-56.87	310.21	5.12	-51.75
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977125	0	43	-1.0	-60.05	366.68	6.36	-53.69
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010977126	0	34	-1.0	-39.70	315.78	5.18	-34.52
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300010977127	0	53	-1.0	-65.28	423.47	7.99	-57.29
CCCC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010977128	0	37	-1.0	-56.10	348.91	6.17	-49.93
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010977129	0	41	-1.0	-54.42	373.64	4.16	-50.26
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010977130	0	42	-1.0	-53.25	355.43	5.15	-48.10
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010977131	0	38	-1.0	-52.09	354.93	4.94	-47.15
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010977132	0	46	-1.0	-60.57	383.66	3.46	-57.11
CCCC[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977133	0	37	-1.0	-59.01	346.08	4.23	-54.78
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977134	0	43	-1.0	-59.29	377.70	6.93	-52.36
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010977135	0	45	-1.0	-52.79	403.66	7.93	-44.86
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010977136	0	43	-1.0	-53.65	358.68	5.78	-47.87
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977137	0	36	-1.0	-50.82	347.80	5.86	-44.96
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010977138	0	38	-1.0	-48.85	353.99	5.32	-43.53
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010977139	0	46	-1.0	-55.00	374.32	5.10	-49.90
CCCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977140	0	36	-1.0	-50.95	326.74	5.22	-45.73
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010977141	0	48	-1.0	-52.04	408.36	8.10	-43.94
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010977142	0	41	-1.0	-58.77	348.06	5.09	-53.68
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010977143	0	38	-1.0	-57.51	342.98	5.63	-51.88
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010977144	0	37	-1.0	-57.28	330.05	2.07	-55.21
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010977145	0	42	-1.0	-54.88	361.13	5.00	-49.88
CCCC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010977146	0	34	-1.0	-50.13	326.04	5.67	-44.46
CCCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010977147	0	45	-1.0	-53.74	358.09	3.91	-49.83
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010977148	0	44	-1.0	-52.57	371.86	5.45	-47.12
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977149	0	43	-1.0	-59.46	391.12	5.69	-53.77
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010977150	0	41	-1.0	-55.03	353.59	4.27	-50.76
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010977151	0	34	-1.0	-55.65	328.86	4.59	-51.06
CCCC[C@@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010977152	0	43	-1.0	-57.93	376.85	6.40	-51.53
CCCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010977153	0	40	-1.0	-56.46	355.95	5.44	-51.02
CCCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010977154	0	40	-1.0	-54.83	372.60	5.97	-48.86
CCCC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010977155	0	37	-1.0	-54.06	337.07	2.74	-51.32
CCCC[C@@H](NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010977156	0	39	-1.0	-54.32	341.87	2.22	-52.10
CCCC[C@@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300010977157	0	46	-1.0	-53.34	351.42	7.59	-45.75
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010977159	0	34	-1.0	-53.99	320.68	4.30	-49.69
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010977160	0	39	-1.0	-51.06	362.09	5.46	-45.60
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300010977161	0	43	-1.0	-57.57	360.55	6.45	-51.12
CCCC[C@@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010977162	1	33	-1.0	-49.31	316.36	2.37	-46.94
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010977163	0	39	-1.0	-55.65	342.99	6.07	-49.58
CCCC[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010977164	0	38	-1.0	-50.40	350.99	3.42	-46.98
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977165	0	39	-1.0	-58.60	342.57	6.45	-52.15
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977166	0	42	-1.0	-66.62	362.93	6.45	-60.17
CCCC[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010977167	0	42	-1.0	-58.06	371.84	6.70	-51.36
CCCC[C@@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010977168	0	39	-1.0	-49.08	355.66	4.36	-44.72
CCCC[C@@H](NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300010977169	0	40	-1.0	-59.97	343.38	5.65	-54.32
CCCCCCN1C=C(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010977170	0	52	-1.0	-52.17	435.50	5.39	-46.78
CCCC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010977172	0	37	-1.0	-59.65	332.74	5.32	-54.33
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010977173	0	45	-1.0	-55.15	383.10	6.42	-48.73
CCCC[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010977174	0	38	-1.0	-59.19	348.02	5.68	-53.51
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977175	0	39	-1.0	-53.99	351.33	5.89	-48.10
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010977176	0	40	-1.0	-55.50	345.58	6.02	-49.48
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010977177	0	48	-1.0	-53.04	404.12	5.76	-47.28
CCCC[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010977178	0	37	-1.0	-72.05	336.79	4.48	-67.57
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010977179	0	37	-1.0	-53.98	333.70	5.88	-48.10
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010977180	0	37	-1.0	-42.79	330.82	5.78	-37.01
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010977181	0	37	-1.0	-54.45	333.85	5.35	-49.10
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010977182	0	45	-1.0	-55.04	398.94	2.21	-52.83
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010977183	0	33	-1.0	-54.26	313.98	3.87	-50.39
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010977184	0	45	-1.0	-52.17	383.47	5.51	-46.66
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010977185	0	37	-1.0	-53.03	355.57	6.31	-46.72
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010977186	0	42	-1.0	-70.71	381.29	2.89	-67.82
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977187	0	33	-1.0	-48.11	322.31	3.68	-44.43
CCCC[C@@H](NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300010977188	0	40	-1.0	-60.96	341.87	4.66	-56.30
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010977189	0	39	-1.0	-51.26	349.06	3.38	-47.88
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010977190	0	37	-1.0	-50.31	367.95	1.74	-48.57
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010977191	0	42	-1.0	-54.11	351.99	5.20	-48.91
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010977192	0	44	-1.0	-53.56	367.74	5.39	-48.17
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300010977193	0	37	-1.0	-54.47	332.64	5.01	-49.46
CCCC[C@@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010977194	0	41	-1.0	-54.59	353.57	4.27	-50.32
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010977195	0	43	-1.0	-63.81	385.16	4.44	-59.37
CCCC[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010977196	0	45	-1.0	-59.72	374.92	11.71	-48.01
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010977197	0	37	-1.0	-54.68	328.52	5.64	-49.04
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010977198	0	39	-1.0	-49.38	355.00	5.58	-43.80
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010977199	0	45	-1.0	-53.80	403.96	3.52	-50.28
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010977200	0	47	-1.0	-54.83	396.62	7.20	-47.63
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010977201	0	38	-1.0	-55.21	356.90	6.00	-49.21
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010977202	0	43	-1.0	-65.61	362.02	8.24	-57.37
CCCC[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010977203	0	43	-1.0	-51.76	344.00	2.77	-48.99
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010977204	0	37	-1.0	-51.05	324.30	3.23	-47.82
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010977205	0	42	-1.0	-67.38	348.71	6.25	-61.13
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010977206	0	40	-1.0	-60.79	342.30	6.09	-54.70
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010977207	0	47	-1.0	-65.44	391.10	5.88	-59.56
CCCC[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010977208	0	46	-1.0	-57.17	372.05	1.51	-55.66
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010977209	0	40	-1.0	-50.51	367.18	2.62	-47.89
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977210	0	43	-1.0	-54.21	381.32	6.22	-47.99
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010977211	0	41	-1.0	-52.87	341.22	4.57	-48.30
CCCC[C@@H](NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977212	0	43	-1.0	-55.09	375.43	4.83	-50.26
CCCC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010977213	0	51	-1.0	-59.75	408.40	6.36	-53.39
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300010977214	0	47	-1.0	-53.41	409.00	6.29	-47.12
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010977215	0	35	-1.0	-50.23	330.36	5.48	-44.75
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010977216	0	38	-1.0	-53.24	353.50	5.10	-48.14
CCCC[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010977217	0	41	-1.0	-61.27	342.06	4.91	-56.36
CCCC[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010977218	0	39	-1.0	-57.74	345.48	4.59	-53.15
CCCC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010977219	0	54	-1.0	-54.90	414.56	6.05	-48.85
CCCC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010977220	0	48	-1.0	-55.21	389.73	4.64	-50.57
CCCC[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010977221	0	45	-1.0	-55.04	394.49	5.20	-49.84
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300010977222	0	37	-1.0	-55.25	324.37	5.29	-49.96
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300010977223	0	40	-1.0	-51.40	347.61	2.15	-49.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010977224	0	36	-1.0	-50.79	333.26	3.75	-47.04
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010977225	1	36	-1.0	-53.29	339.01	2.37	-50.92
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977226	0	40	-1.0	-54.56	359.46	5.29	-49.27
CCCC[C@@H](NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300010978001	0	40	-1.0	-64.09	339.83	4.17	-59.92
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010978002	0	45	-1.0	-52.06	394.82	5.56	-46.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010978003	0	42	-1.0	-53.23	356.98	5.80	-47.43
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010978004	1	30	-1.0	-47.89	303.43	3.00	-44.89
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=NC(C)=C1)C(=O)[O-]	REAL300010978005	0	39	-1.0	-51.17	337.03	3.99	-47.18
CCCC[C@@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010978006	0	36	-1.0	-49.93	314.40	3.04	-46.89
CCCC[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010978007	0	36	-1.0	-51.13	334.65	3.07	-48.06
CCCC[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010978008	0	41	-1.0	-55.88	334.16	7.74	-48.14
CCCC[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1C)C(=O)[O-]	REAL300010978009	0	36	-1.0	-54.08	322.77	4.41	-49.67
CCCC[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010978010	0	36	-1.0	-66.72	313.01	4.31	-62.41
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300010978011	0	34	-1.0	-52.64	321.07	4.83	-47.81
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010978012	0	36	-1.0	-61.22	324.67	4.04	-57.18
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010978013	0	41	-1.0	-53.17	370.99	5.51	-47.66
CCCC[C@@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010978014	0	51	-1.0	-58.98	365.73	9.45	-49.53
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010978015	0	47	-1.0	-59.03	387.62	6.64	-52.39
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1O)C(=O)[O-]	REAL300010978016	0	38	-1.0	-55.26	329.25	3.04	-52.22
CCCC[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010978017	1	39	-1.0	-57.67	348.26	3.65	-54.02
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300010978018	0	33	-1.0	-46.33	307.83	3.32	-43.01
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010978019	0	34	-1.0	-40.86	320.24	5.27	-35.59
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010978020	0	34	-1.0	-41.59	309.74	5.22	-36.37
CCCC[C@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300010978021	0	46	-1.0	-43.41	357.15	7.21	-36.20
CCCC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010978022	0	43	-1.0	-47.35	360.25	5.02	-42.33
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978023	0	40	-1.0	-49.11	342.56	6.10	-43.01
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010978024	0	43	-1.0	-42.59	375.57	6.25	-36.34
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010978025	0	34	-1.0	-51.44	324.44	5.54	-45.90
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978026	0	40	-1.0	-43.59	352.56	5.33	-38.26
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010978027	0	46	-1.0	-44.64	375.51	6.95	-37.69
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300010978028	0	43	-1.0	-43.03	357.27	6.51	-36.52
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300010978029	0	46	-1.0	-44.18	377.98	7.22	-36.96
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010978030	0	45	-1.0	-48.12	392.64	2.58	-45.54
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010978031	0	38	-1.0	-42.20	332.79	1.40	-40.80
CCCC[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010978032	0	44	-1.0	-46.79	381.12	3.67	-43.12
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010978033	0	36	-1.0	-47.18	337.53	5.73	-41.45
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010978034	0	34	-1.0	-43.03	319.12	5.87	-37.16
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010978035	0	31	-1.0	-40.30	308.27	4.24	-36.06
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300010978036	0	43	-1.0	-43.89	363.69	6.85	-37.04
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300010978037	0	38	-1.0	-43.95	309.39	4.70	-39.25
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010978038	0	34	-1.0	-48.99	329.95	5.69	-43.30
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010978039	0	38	-1.0	-43.34	346.96	4.56	-38.78
CCCC[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010978040	0	45	-1.0	-50.55	367.44	3.31	-47.24
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010978041	0	34	-1.0	-46.66	304.90	4.40	-42.26
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010978042	0	34	-1.0	-38.37	330.51	5.61	-32.76
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010978043	0	34	-1.0	-42.01	306.87	5.06	-36.95
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978044	0	46	-1.0	-46.41	406.56	5.89	-40.52
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978045	0	46	-1.0	-49.44	397.29	6.77	-42.67
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010978046	1	34	-1.0	-46.08	307.10	4.91	-41.17
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010978047	0	33	-1.0	-41.80	310.81	3.29	-38.51
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010978048	0	34	-1.0	-43.47	308.97	4.79	-38.68
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010978049	0	37	-1.0	-40.23	336.33	6.53	-33.70
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010978050	0	37	-1.0	-41.64	338.80	5.81	-35.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010978051	0	45	-1.0	-52.61	381.96	2.89	-49.72
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978052	0	38	-1.0	-40.94	345.28	4.41	-36.53
CCCC[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010978053	0	49	-1.0	-45.66	373.72	7.78	-37.88
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010978054	0	43	-1.0	-48.08	359.88	4.53	-43.55
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978055	0	39	-1.0	-47.29	343.50	5.82	-41.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010978056	0	31	-1.0	-40.54	312.90	4.34	-36.20
CCCC[C@H](NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010978057	0	40	-1.0	-42.20	354.37	6.99	-35.21
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010978058	0	38	-1.0	-40.44	330.70	5.34	-35.10
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010978059	0	52	-1.0	-44.93	401.53	8.48	-36.45
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010978060	0	50	-1.0	-43.21	398.89	8.39	-34.82
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010978061	0	37	-1.0	-39.65	337.67	5.65	-34.00
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010978062	0	44	-1.0	-45.80	362.01	7.12	-38.68
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010978063	0	42	-1.0	-44.32	338.88	4.01	-40.31
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010978064	0	42	-1.0	-46.92	358.04	3.82	-43.10
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978065	0	44	-1.0	-43.04	396.18	4.25	-38.79
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010978066	0	41	-1.0	-46.43	344.85	6.53	-39.90
CCCC[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010978067	0	41	-1.0	-47.12	373.89	2.78	-44.34
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010978068	0	42	-1.0	-44.66	350.63	6.96	-37.70
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010978069	0	34	-1.0	-41.56	297.19	4.33	-37.23
CCCC[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010978070	0	44	-1.0	-55.40	364.63	4.26	-51.14
CCCC[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010978071	0	31	-1.0	-38.54	322.52	4.77	-33.77
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010978072	0	49	-1.0	-43.05	402.40	8.16	-34.89
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010978073	0	40	-1.0	-47.67	339.94	6.97	-40.70
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010978074	0	44	-1.0	-45.07	371.21	8.01	-37.06
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010978075	0	37	-1.0	-38.30	345.58	6.05	-32.25
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300010978076	0	37	-1.0	-40.89	317.29	5.52	-35.37
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978077	0	34	-1.0	-39.28	336.13	6.34	-32.94
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010978078	0	49	-1.0	-43.50	387.48	7.37	-36.13
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300010978079	0	37	-1.0	-42.26	334.77	5.73	-36.53
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010978080	0	34	-1.0	-37.23	316.03	4.76	-32.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010978081	0	37	-1.0	-47.75	313.66	4.95	-42.80
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010978082	1	34	-1.0	-38.70	317.78	4.93	-33.77
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010978083	0	37	-1.0	-40.75	329.85	5.27	-35.48
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010978084	0	34	-1.0	-38.65	317.77	4.93	-33.72
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010978085	0	34	-1.0	-38.83	304.94	4.39	-34.44
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010978086	0	35	-1.0	-50.50	302.88	3.29	-47.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300010978087	0	37	-1.0	-40.37	323.76	5.28	-35.09
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978088	0	37	-1.0	-38.04	341.36	5.64	-32.40
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010978089	0	39	-1.0	-49.99	322.37	5.63	-44.36
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010978090	0	37	-1.0	-40.11	325.98	6.08	-34.03
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010978091	0	45	-1.0	-48.40	404.80	8.02	-40.38
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010978092	0	34	-1.0	-46.76	309.15	4.85	-41.91
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010978093	0	34	-1.0	-40.36	322.45	5.42	-34.94
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010978094	0	40	-1.0	-39.81	339.35	5.09	-34.72
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1F)C(=O)[O-]	REAL300010978095	0	37	-1.0	-47.12	313.65	4.95	-42.17
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300010978096	0	38	-1.0	-45.90	335.03	4.00	-41.90
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010978097	0	37	-1.0	-42.48	326.03	5.32	-37.16
CCCC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010978098	1	34	-1.0	-41.14	313.80	4.95	-36.19
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010978099	0	34	-1.0	-41.20	326.31	5.29	-35.91
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010978100	0	49	-1.0	-44.88	417.47	6.77	-38.11
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010978101	0	41	-1.0	-44.93	366.92	4.11	-40.82
CCCC[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300010978102	0	45	-1.0	-40.61	349.33	4.87	-35.74
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010978103	0	50	-1.0	-47.57	404.80	7.74	-39.83
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010978104	0	38	-1.0	-44.19	342.47	5.68	-38.51
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010978105	0	37	-1.0	-44.18	338.14	6.42	-37.76
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010978106	0	37	-1.0	-38.88	350.05	6.23	-32.65
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010978107	0	44	-1.0	-47.82	368.75	6.33	-41.49
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010978108	0	41	-1.0	-42.75	347.65	2.04	-40.71
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010978109	0	42	-1.0	-47.36	361.13	1.99	-45.37
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010978110	0	39	-1.0	-38.90	338.81	6.09	-32.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010978111	0	41	-1.0	-61.32	348.29	3.16	-58.16
CCCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010978112	0	39	-1.0	-43.23	334.54	5.99	-37.24
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010978113	0	34	-1.0	-48.86	316.16	4.16	-44.70
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300010978114	0	37	-1.0	-42.20	327.11	5.36	-36.84
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978115	0	40	-1.0	-42.94	370.81	5.79	-37.15
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010978116	0	33	-1.0	-44.60	306.66	4.13	-40.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010978117	0	43	-1.0	-55.16	384.32	2.82	-52.34
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010978118	0	41	-1.0	-49.54	361.32	3.63	-45.91
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010978119	0	48	-1.0	-59.84	392.26	6.26	-53.58
CCCC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010978120	0	39	-1.0	-47.75	343.52	0.57	-47.18
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010978121	0	44	-1.0	-44.07	356.95	5.38	-38.69
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010978122	0	34	-1.0	-39.49	320.15	5.42	-34.07
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010978123	0	45	-1.0	-42.84	382.59	4.14	-38.70
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010978124	0	37	-1.0	-39.53	339.59	5.88	-33.65
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010978125	0	34	-1.0	-39.39	333.17	5.66	-33.73
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300010978126	0	47	-1.0	-50.30	403.00	4.40	-45.90
CCCC[C@H](NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010978127	0	48	-1.0	-46.97	391.59	3.73	-43.24
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300010978128	0	42	-1.0	-40.82	355.55	6.94	-33.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300010978129	0	46	-1.0	-43.88	380.50	7.30	-36.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010978130	0	44	-1.0	-43.39	375.51	5.16	-38.23
CCCC[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300010978131	0	46	-1.0	-41.69	371.26	1.86	-39.83
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300010978132	0	37	-1.0	-40.52	327.60	5.96	-34.56
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010978133	0	50	-1.0	-43.08	410.85	6.98	-36.10
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010978134	0	48	-1.0	-44.38	393.00	6.83	-37.55
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010978135	0	47	-1.0	-43.76	392.24	6.34	-37.42
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300010978136	0	44	-1.0	-43.78	372.14	5.64	-38.14
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010978137	0	38	-1.0	-43.43	342.57	4.44	-38.99
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010978138	0	38	-1.0	-43.69	352.32	4.71	-38.98
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300010978139	0	41	-1.0	-43.49	346.62	4.63	-38.86
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010978140	0	47	-1.0	-44.07	386.39	6.18	-37.89
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300010978141	0	41	-1.0	-43.36	340.07	4.73	-38.63
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010978142	0	45	-1.0	-45.41	384.26	4.11	-41.30
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010978143	0	37	-1.0	-46.45	326.93	5.32	-41.13
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])=C1	REAL300010978144	0	45	-1.0	-49.33	389.69	4.31	-45.02
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010978145	0	49	-1.0	-41.81	405.05	4.15	-37.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010978146	0	37	-1.0	-43.18	336.26	6.02	-37.16
CCCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010978147	0	40	-1.0	-51.72	372.00	2.73	-48.99
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978148	0	40	-1.0	-43.97	353.94	6.50	-37.47
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010978149	0	39	-1.0	-47.30	340.26	5.00	-42.30
CCCC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010978150	0	38	-1.0	-45.35	336.47	5.08	-40.27
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C)C(=O)[O-]	REAL300010978151	0	38	-1.0	-39.03	331.33	5.82	-33.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010978152	0	35	-1.0	-42.92	312.99	4.67	-38.25
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010978153	0	38	-1.0	-40.04	350.88	5.71	-34.33
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978154	0	44	-1.0	-48.38	381.40	5.32	-43.06
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010978155	0	43	-1.0	-44.37	370.10	5.81	-38.56
CCCC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)C(=O)[O-]	REAL300010978156	0	41	-1.0	-45.20	353.27	3.50	-41.70
CCCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010978157	0	44	-1.0	-49.27	357.29	-0.11	-49.38
CCCC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300010978158	0	43	-1.0	-41.20	345.40	2.66	-38.54
CCCC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010978159	0	43	-1.0	-50.33	365.73	4.65	-45.68
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010978160	0	43	-1.0	-51.56	372.80	5.88	-45.68
CCCC[C@H](NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300010978161	0	43	-1.0	-48.22	357.77	4.52	-43.70
CCCC[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300010978162	0	40	-1.0	-46.18	341.80	3.68	-42.50
CCCC[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010978163	0	43	-1.0	-47.33	361.58	5.52	-41.81
CCCC[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300010978164	0	40	-1.0	-50.17	342.49	4.96	-45.21
CCCC[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300010978165	0	40	-1.0	-53.33	334.13	3.80	-49.53
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010978166	0	46	-1.0	-44.09	347.53	7.45	-36.64
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010978167	0	42	-1.0	-54.25	365.77	4.03	-50.22
CCCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010978169	0	41	-1.0	-52.45	362.00	5.87	-46.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978170	0	40	-1.0	-52.20	353.03	4.99	-47.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010978171	0	38	-1.0	-44.24	356.01	5.00	-39.24
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010978172	0	44	-1.0	-42.90	388.50	6.50	-36.40
CCCC[C@H](NS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978173	0	37	-1.0	-39.23	339.44	3.46	-35.77
CCCC[C@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010978174	0	34	-1.0	-38.22	324.16	5.04	-33.18
CCCC[C@H](NS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978175	0	38	-1.0	-49.32	342.69	2.96	-46.36
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010978176	0	35	-1.0	-40.15	335.50	5.42	-34.73
CCCC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010978177	0	42	-1.0	-48.52	344.70	7.37	-41.15
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010978178	0	40	-1.0	-43.69	366.03	5.86	-37.83
CCCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010978179	0	43	-1.0	-53.26	372.47	3.00	-50.26
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010978180	0	38	-1.0	-39.24	339.19	6.39	-32.85
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010978181	0	35	-1.0	-40.99	335.53	5.43	-35.56
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010978182	0	50	-1.0	-48.28	411.52	6.40	-41.88
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010978183	0	45	-1.0	-50.16	387.34	4.59	-45.57
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010978184	0	46	-1.0	-48.69	408.30	2.47	-46.22
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300010978185	0	42	-1.0	-48.65	375.55	0.82	-47.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300010978186	0	44	-1.0	-49.43	395.10	3.55	-45.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010978187	0	37	-1.0	-44.78	336.58	3.41	-41.37
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010978188	0	40	-1.0	-44.72	354.94	4.06	-40.66
CCCC[C@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300010978189	0	36	-1.0	-42.64	321.30	3.21	-39.43
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978190	1	36	-1.0	-49.93	326.29	6.30	-43.63
CCCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010978191	0	37	-1.0	-38.69	353.95	6.30	-32.39
CCCC[C@H](NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300010978192	0	47	-1.0	-48.46	395.21	5.31	-43.15
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010978193	0	34	-1.0	-43.82	312.31	5.39	-38.43
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010978194	0	40	-1.0	-45.56	376.49	5.16	-40.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010978195	0	54	-1.0	-43.29	433.52	8.27	-35.02
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010978196	0	44	-1.0	-46.99	396.55	4.19	-42.80
CCCC[C@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010978197	0	34	-1.0	-40.55	326.72	5.75	-34.80
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010978198	0	43	-1.0	-44.49	362.86	6.01	-38.48
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978199	0	36	-1.0	-43.68	327.69	6.50	-37.18
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010978200	0	42	-1.0	-45.59	349.48	3.48	-42.11
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010978201	0	45	-1.0	-44.18	367.44	4.58	-39.60
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978202	1	36	-1.0	-41.87	348.21	7.30	-34.57
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010978203	0	37	-1.0	-53.50	338.11	5.52	-47.98
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010978204	0	35	-1.0	-40.44	318.28	4.76	-35.68
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010978205	0	35	-1.0	-40.53	328.63	5.21	-35.32
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010978206	0	37	-1.0	-42.35	338.80	5.82	-36.53
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300010978207	0	37	-1.0	-42.30	316.65	5.33	-36.97
CCCC[C@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010978208	0	40	-1.0	-52.08	358.68	3.41	-48.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010978209	0	40	-1.0	-44.93	354.94	7.39	-37.54
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010978210	0	39	-1.0	-39.10	347.83	6.69	-32.41
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010978211	0	34	-1.0	-40.39	330.24	4.92	-35.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010978212	0	38	-1.0	-46.19	341.55	5.79	-40.40
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978213	0	40	-1.0	-41.91	364.91	5.36	-36.55
CCCC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010978214	0	52	-1.0	-41.40	385.66	6.35	-35.05
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010978215	0	42	-1.0	-50.72	343.26	6.20	-44.52
CCCC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010978216	0	45	-1.0	-46.32	376.45	3.17	-43.15
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010978217	0	37	-1.0	-43.61	333.05	5.90	-37.71
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010978218	0	40	-1.0	-46.30	353.41	6.13	-40.17
CCCC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010978219	0	42	-1.0	-42.91	355.09	2.34	-40.57
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010978220	0	40	-1.0	-42.59	354.84	5.36	-37.23
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010978221	0	40	-1.0	-40.36	349.61	6.44	-33.92
CCCC[C@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300010978222	0	41	-1.0	-44.91	356.79	2.21	-42.70
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300010978223	0	47	-1.0	-48.13	390.13	7.25	-40.88
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300010978224	0	44	-1.0	-44.23	350.16	6.15	-38.08
CCCC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010978225	0	39	-1.0	-51.98	345.37	4.75	-47.23
CCCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010978226	0	41	-1.0	-47.17	357.46	5.70	-41.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978227	0	36	-1.0	-43.68	343.70	5.75	-37.93
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010978228	0	35	-1.0	-49.94	323.58	4.95	-44.99
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300010978229	0	48	-1.0	-45.44	406.12	5.08	-40.36
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C=C1	REAL300010978230	0	50	-1.0	-43.56	415.13	7.20	-36.36
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978231	0	36	-1.0	-46.75	331.65	6.77	-39.98
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978232	0	40	-1.0	-43.31	356.37	5.26	-38.05
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978233	0	40	-1.0	-38.95	374.16	6.10	-32.85
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010978234	0	44	-1.0	-44.05	364.05	5.37	-38.68
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010978235	0	37	-1.0	-42.69	345.10	4.29	-38.40
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010978236	0	46	-1.0	-46.17	383.04	6.50	-39.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978237	0	43	-1.0	-43.71	370.14	5.81	-37.90
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010978238	0	40	-1.0	-44.63	345.53	4.92	-39.71
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010978239	0	44	-1.0	-44.03	349.50	7.14	-36.89
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010978240	0	40	-1.0	-47.79	346.25	6.40	-41.39
CCCC[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010978241	0	33	-1.0	-41.29	315.61	3.42	-37.87
CCCC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978242	0	38	-1.0	-41.57	355.67	6.08	-35.49
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010978243	0	34	-1.0	-39.35	324.05	5.25	-34.10
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010978244	0	41	-1.0	-57.31	361.65	2.45	-54.86
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010978245	0	37	-1.0	-41.07	328.73	5.86	-35.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010978246	0	38	-1.0	-41.49	346.96	4.56	-36.93
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010978247	0	45	-1.0	-46.43	376.74	5.88	-40.55
CCCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010978248	0	42	-1.0	-47.83	378.26	1.40	-46.43
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1)C(=O)[O-]	REAL300010978249	0	51	-1.0	-50.66	430.22	3.78	-46.88
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010978250	0	38	-1.0	-42.48	339.31	4.52	-37.96
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010978251	0	43	-1.0	-53.24	381.46	3.03	-50.21
CCCC[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010978252	0	36	-1.0	-41.07	345.31	4.49	-36.58
CCCC[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010978253	0	39	-1.0	-47.54	352.51	5.62	-41.92
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010978254	0	35	-1.0	-38.78	341.42	5.63	-33.15
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300010978255	0	41	-1.0	-44.52	371.07	5.51	-39.01
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010978256	0	39	-1.0	-41.62	349.96	0.08	-41.54
CCCC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010978257	0	48	-1.0	-46.83	412.30	6.58	-40.25
CCCC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010978258	0	43	-1.0	-47.35	360.25	5.02	-42.33
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010978259	0	39	-1.0	-46.75	354.91	4.69	-42.06
CCCC[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010978260	0	39	-1.0	-44.00	334.92	3.95	-40.05
CCCC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010978261	0	42	-1.0	-54.61	361.51	5.84	-48.77
CCCC[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010978262	0	40	-1.0	-45.13	340.60	1.04	-44.09
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010978263	0	44	-1.0	-44.49	377.36	5.53	-38.96
CCCC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010978264	0	39	-1.0	-43.64	347.21	4.83	-38.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300010978265	0	44	-1.0	-43.34	361.89	5.66	-37.68
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300010978266	0	42	-1.0	-52.15	375.91	0.79	-51.36
CCCC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010978267	0	36	-1.0	-54.63	322.02	-0.21	-54.84
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010978268	0	43	-1.0	-47.03	366.19	6.82	-40.21
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010978269	0	38	-1.0	-43.38	318.10	4.61	-38.77
CCCC[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300010978270	0	38	-1.0	-43.04	339.14	5.67	-37.37
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1)C(=O)[O-]	REAL300010978271	0	46	-1.0	-42.31	397.07	7.04	-35.27
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978272	0	40	-1.0	-41.73	356.86	6.25	-35.48
CCCC[C@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010978273	0	45	-1.0	-41.47	367.85	6.42	-35.05
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010978274	0	33	-1.0	-47.53	321.09	3.63	-43.90
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010978275	0	40	-1.0	-47.62	341.31	4.24	-43.38
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010978276	0	39	-1.0	-46.07	334.54	5.12	-40.95
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010978277	0	37	-1.0	-40.46	332.14	6.07	-34.39
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010978278	0	42	-1.0	-42.44	356.86	3.77	-38.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010978279	0	50	-1.0	-47.08	414.07	5.58	-41.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300010978280	0	48	-1.0	-47.46	401.74	5.66	-41.80
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010978281	0	40	-1.0	-51.00	346.26	3.63	-47.37
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300010978282	0	40	-1.0	-47.54	335.61	3.68	-43.86
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010978283	0	39	-1.0	-48.89	353.12	-0.39	-49.28
CCCC[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010978284	0	45	-1.0	-52.73	374.83	5.71	-47.02
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010978285	0	48	-1.0	-56.07	391.96	6.22	-49.85
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010978286	0	42	-1.0	-40.24	356.58	6.58	-33.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010978287	0	40	-1.0	-42.61	353.71	5.32	-37.29
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010978288	0	45	-1.0	-56.15	378.20	5.65	-50.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010978289	0	41	-1.0	-45.86	355.73	2.90	-42.96
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010978290	0	38	-1.0	-45.00	333.45	1.44	-43.56
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010978291	0	48	-1.0	-54.30	391.40	6.16	-48.14
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010978292	0	37	-1.0	-46.76	338.10	4.99	-41.77
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010978293	0	37	-1.0	-42.30	347.17	4.38	-37.92
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978294	0	38	-1.0	-40.77	355.96	5.80	-34.97
CCCC[C@H](NS(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010978295	0	40	-1.0	-52.62	352.17	3.21	-49.41
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010978296	0	40	-1.0	-44.59	355.85	1.62	-42.97
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010978297	0	40	-1.0	-45.31	350.04	1.84	-43.47
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010978298	0	40	-1.0	-40.23	357.48	2.28	-37.95
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010978299	0	42	-1.0	-50.65	343.94	6.27	-44.38
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978300	0	40	-1.0	-47.82	340.43	5.28	-42.54
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010978301	0	38	-1.0	-40.72	326.14	5.22	-35.50
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010978302	0	38	-1.0	-42.74	324.78	4.82	-37.92
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010978303	0	39	-1.0	-49.84	353.47	-0.42	-50.26
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978304	0	40	-1.0	-45.95	354.08	5.27	-40.68
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010978305	0	46	-1.0	-51.96	408.31	2.46	-49.50
CCCC[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010978306	0	39	-1.0	-39.83	349.84	5.97	-33.86
CCCC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010978307	0	37	-1.0	-39.62	324.70	5.33	-34.29
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Cl)C(=O)[O-]	REAL300010978308	0	37	-1.0	-43.61	333.33	5.85	-37.76
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010978309	0	40	-1.0	-47.67	354.79	1.01	-46.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010978310	0	40	-1.0	-53.94	359.99	2.14	-51.80
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010978311	0	41	-1.0	-43.36	362.96	3.88	-39.48
CCCC[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010978312	0	42	-1.0	-45.97	365.28	6.17	-39.80
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C)C(=O)[O-]	REAL300010978313	0	37	-1.0	-39.05	314.16	5.43	-33.62
CCCC[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010978314	0	43	-1.0	-43.71	356.04	5.93	-37.78
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010978315	0	42	-1.0	-46.73	354.60	5.95	-40.78
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010978316	0	40	-1.0	-46.10	351.17	4.54	-41.56
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010978317	0	39	-1.0	-43.28	347.00	6.13	-37.15
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978318	0	42	-1.0	-50.10	355.84	7.32	-42.78
CCCC[C@H](NS(=O)(=O)N1CCCC(C(=O)OCC)C1)C(=O)[O-]	REAL300010978319	0	48	-1.0	-47.27	393.15	5.31	-41.96
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010978320	0	38	-1.0	-40.24	344.94	4.44	-35.80
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010978321	0	45	-1.0	-49.75	394.89	2.62	-47.13
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010978322	0	34	-1.0	-49.44	315.70	5.13	-44.31
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978323	0	36	-1.0	-42.88	326.88	6.49	-36.39
CCCC[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010978324	0	46	-1.0	-53.96	382.97	3.93	-50.03
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010978325	0	44	-1.0	-46.44	361.73	8.43	-38.01
CCCC[C@H](NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300010978326	0	45	-1.0	-41.66	354.49	5.21	-36.45
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978327	0	43	-1.0	-44.93	373.70	6.16	-38.77
CCCC[C@H](NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010978328	0	48	-1.0	-42.36	387.05	4.37	-37.99
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010978329	0	34	-1.0	-40.82	316.02	5.13	-35.69
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010978330	0	34	-1.0	-40.15	320.24	5.27	-34.88
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010978331	0	36	-1.0	-38.92	325.27	5.25	-33.67
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010978332	0	40	-1.0	-47.30	345.24	6.90	-40.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010978333	0	41	-1.0	-48.61	355.64	3.52	-45.09
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010978334	0	39	-1.0	-40.58	336.51	6.04	-34.54
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010978335	0	38	-1.0	-43.98	328.78	3.91	-40.07
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978336	0	36	-1.0	-49.36	316.63	6.10	-43.26
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300010978337	0	41	-1.0	-40.39	350.02	6.11	-34.28
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010978338	0	41	-1.0	-43.33	350.29	4.87	-38.46
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010978339	0	34	-1.0	-42.62	297.19	4.33	-38.29
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010978340	0	34	-1.0	-38.66	309.87	4.72	-33.94
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010978341	0	40	-1.0	-45.74	341.53	3.74	-42.00
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300010978342	0	43	-1.0	-43.76	346.08	6.83	-36.93
CCCC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010978343	0	49	-1.0	-42.66	384.37	7.69	-34.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010978344	0	34	-1.0	-39.39	328.96	5.56	-33.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010978345	0	34	-1.0	-40.14	309.75	4.70	-35.44
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010978346	0	34	-1.0	-41.14	329.42	5.72	-35.42
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978347	0	37	-1.0	-40.55	337.68	5.65	-34.90
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010978348	0	37	-1.0	-43.95	319.60	6.01	-37.94
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978349	0	37	-1.0	-37.97	348.94	6.00	-31.97
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010978350	0	34	-1.0	-40.88	315.68	5.17	-35.71
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010978351	0	37	-1.0	-40.61	351.75	6.21	-34.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010978352	0	39	-1.0	-44.05	341.69	5.15	-38.90
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010978353	0	34	-1.0	-39.36	319.63	5.15	-34.21
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300010978354	0	39	-1.0	-49.06	339.78	5.01	-44.05
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010978355	0	43	-1.0	-49.03	373.44	3.64	-45.39
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010978356	0	33	-1.0	-39.17	326.40	3.71	-35.46
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010978357	0	37	-1.0	-51.07	329.06	5.00	-46.07
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010978358	0	38	-1.0	-42.93	336.44	4.36	-38.57
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010978359	0	43	-1.0	-48.69	373.96	7.47	-41.22
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010978360	0	43	-1.0	-47.52	376.25	6.06	-41.46
CCCC[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010978361	0	41	-1.0	-54.97	339.57	6.31	-48.66
CCCC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010978362	0	44	-1.0	-48.08	381.26	6.41	-41.67
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010978363	0	45	-1.0	-60.07	375.86	5.62	-54.45
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010978364	0	35	-1.0	-47.69	332.77	5.35	-42.34
CCCC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300010978365	0	38	-1.0	-39.70	328.92	5.75	-33.95
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010978366	0	48	-1.0	-52.11	399.36	4.35	-47.76
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010978367	0	42	-1.0	-43.38	370.81	5.70	-37.68
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010978368	0	39	-1.0	-39.23	341.25	5.77	-33.46
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010978369	0	37	-1.0	-45.46	336.92	3.35	-42.11
CCCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010978370	0	45	-1.0	-52.49	384.78	5.35	-47.14
CCCC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010978371	0	36	-1.0	-46.37	331.28	4.11	-42.26
CCCC[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010978372	0	44	-1.0	-53.73	366.57	4.88	-48.85
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300010978373	0	35	-1.0	-60.46	310.17	2.49	-57.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010978374	0	44	-1.0	-57.56	374.21	4.41	-53.15
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010978375	0	46	-1.0	-46.25	373.17	5.20	-41.05
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010978376	0	36	-1.0	-41.48	329.95	3.83	-37.65
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010978377	0	40	-1.0	-44.49	350.69	3.68	-40.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010978378	0	43	-1.0	-44.20	371.94	6.29	-37.91
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300010978379	0	38	-1.0	-46.74	336.15	5.38	-41.36
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010978380	0	42	-1.0	-48.26	358.28	3.22	-45.04
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010978381	0	40	-1.0	-51.17	345.31	5.94	-45.23
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300010978382	0	46	-1.0	-44.38	374.19	7.15	-37.23
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010978383	0	42	-1.0	-40.24	354.36	6.87	-33.37
CCCC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978384	0	40	-1.0	-43.51	356.59	4.14	-39.37
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010978385	0	35	-1.0	-40.70	321.57	2.49	-38.21
CCCC[C@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010978386	0	36	-1.0	-46.25	326.39	3.29	-42.96
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010978387	0	40	-1.0	-41.03	344.07	5.92	-35.11
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010978388	0	42	-1.0	-51.29	358.88	3.07	-48.22
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978389	0	41	-1.0	-46.56	358.21	4.68	-41.88
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010978390	0	34	-1.0	-39.94	322.44	5.20	-34.74
CCCC[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300010978391	0	33	-1.0	-41.26	311.04	3.32	-37.94
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010978392	0	45	-1.0	-43.68	381.91	6.46	-37.22
CCCC[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010978393	0	37	-1.0	-38.95	340.73	5.82	-33.13
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010978394	0	39	-1.0	-45.65	339.29	0.74	-44.91
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010978395	0	37	-1.0	-39.85	328.07	5.98	-33.87
CCCC[C@H](NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300010978396	0	45	-1.0	-43.77	373.67	5.40	-38.37
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010978397	0	42	-1.0	-47.31	363.48	2.26	-45.05
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010978398	0	44	-1.0	-44.56	355.83	5.50	-39.06
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010978399	0	42	-1.0	-43.57	366.73	4.24	-39.33
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010978400	0	43	-1.0	-42.07	373.10	5.92	-36.15
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010978401	0	45	-1.0	-43.43	372.50	4.72	-38.71
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978402	0	43	-1.0	-47.32	372.94	5.91	-41.41
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010978403	0	40	-1.0	-46.53	360.70	4.34	-42.19
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010978404	0	45	-1.0	-46.67	381.27	8.70	-37.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010978405	0	44	-1.0	-46.46	384.80	5.57	-40.89
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010978406	0	47	-1.0	-46.80	405.75	5.72	-41.08
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010978407	0	44	-1.0	-43.64	360.41	5.48	-38.16
CCCC[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010978408	0	38	-1.0	-47.49	337.65	5.01	-42.48
CCCC[C@H](NS(=O)(=O)CCCC(=O)OCC)C(=O)[O-]	REAL300010978409	0	42	-1.0	-41.32	357.20	4.74	-36.58
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010978410	0	37	-1.0	-43.94	335.73	6.72	-37.22
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978411	0	36	-1.0	-43.62	332.27	6.60	-37.02
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978412	0	39	-1.0	-49.35	331.10	6.94	-42.41
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010978413	0	36	-1.0	-39.56	344.28	6.02	-33.54
CCCC[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010978414	0	31	-1.0	-53.93	299.98	3.77	-50.16
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010978415	0	38	-1.0	-43.16	334.22	4.93	-38.23
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010978416	0	42	-1.0	-47.60	344.75	5.80	-41.80
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010978417	0	36	-1.0	-39.68	332.20	3.94	-35.74
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010978418	0	42	-1.0	-47.08	350.58	3.45	-43.63
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010978419	0	39	-1.0	-47.64	334.68	5.20	-42.44
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010978420	0	33	-1.0	-47.56	325.92	3.82	-43.74
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010978421	0	36	-1.0	-41.85	319.00	4.93	-36.92
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010978422	0	36	-1.0	-38.71	343.72	5.75	-32.96
CCCC[C@H](NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300010978423	0	43	-1.0	-49.05	373.56	3.40	-45.65
CCCC[C@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978424	0	39	-1.0	-51.21	345.85	5.18	-46.03
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978425	0	36	-1.0	-48.35	327.45	6.40	-41.95
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978426	0	36	-1.0	-40.42	333.92	5.35	-35.07
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978427	0	41	-1.0	-42.21	369.86	5.34	-36.87
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978428	0	36	-1.0	-42.73	331.41	6.59	-36.14
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010978429	0	48	-1.0	-44.71	410.20	7.93	-36.78
CCCC[C@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010978430	0	49	-1.0	-50.41	374.75	7.04	-43.37
CCCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010978431	0	42	-1.0	-47.22	368.00	0.89	-46.33
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300010978432	0	42	-1.0	-49.01	362.38	5.88	-43.13
CCCC[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010978433	0	47	-1.0	-44.74	387.31	3.49	-41.25
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010978434	0	43	-1.0	-47.61	378.33	5.86	-41.75
CCCC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010978435	0	44	-1.0	-48.10	385.28	6.19	-41.91
CCCC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010978436	0	56	-1.0	-42.38	431.30	7.43	-34.95
CCCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010978437	0	42	-1.0	-49.69	372.51	1.36	-48.33
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010978438	0	37	-1.0	-41.91	324.54	5.33	-36.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010978439	0	40	-1.0	-43.92	362.14	2.13	-41.79
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010978440	0	37	-1.0	-42.94	317.48	4.96	-37.98
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010978441	0	41	-1.0	-41.38	348.85	5.90	-35.48
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010978442	0	46	-1.0	-45.56	387.77	6.12	-39.44
CCCC[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010978443	0	44	-1.0	-45.59	382.90	6.48	-39.11
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010978444	0	41	-1.0	-43.47	370.83	3.56	-39.91
CCCC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010978445	0	41	-1.0	-47.35	361.72	-0.68	-48.03
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010978446	0	37	-1.0	-42.07	317.50	4.97	-37.10
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010978447	0	39	-1.0	-39.11	350.55	6.23	-32.88
CCCC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010978448	0	40	-1.0	-45.75	345.96	6.27	-39.48
CCCC[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010978449	0	31	-1.0	-38.64	327.15	4.87	-33.77
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010978450	0	46	-1.0	-45.89	386.97	6.47	-39.42
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010978451	0	34	-1.0	-49.18	299.26	4.42	-44.76
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010978452	0	34	-1.0	-41.62	312.08	4.89	-36.73
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978453	0	40	-1.0	-41.77	353.73	6.15	-35.62
CCCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010978454	0	40	-1.0	-45.86	358.32	5.75	-40.11
CCCC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010978455	0	42	-1.0	-47.75	365.62	4.35	-43.40
CCCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010978456	0	41	-1.0	-46.13	366.53	5.19	-40.94
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010978457	0	37	-1.0	-42.36	347.09	5.95	-36.41
CCCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010978458	0	38	-1.0	-47.23	339.05	1.60	-45.63
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010978459	0	43	-1.0	-43.23	378.58	7.43	-35.80
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010978460	0	36	-1.0	-39.68	332.20	3.94	-35.74
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010978461	0	36	-1.0	-38.82	342.01	6.02	-32.80
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978462	0	40	-1.0	-45.36	349.02	6.17	-39.19
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010978463	0	37	-1.0	-44.40	334.07	5.74	-38.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010978464	0	46	-1.0	-60.55	395.91	3.12	-57.43
CCCC[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978465	0	41	-1.0	-40.21	367.62	5.09	-35.12
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010978466	0	34	-1.0	-41.03	333.98	5.82	-35.21
CCCC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010978467	0	42	-1.0	-42.00	368.98	2.03	-39.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978468	0	43	-1.0	-44.68	380.51	6.23	-38.45
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010978469	0	42	-1.0	-47.50	354.49	5.13	-42.37
CCCC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010978470	0	37	-1.0	-43.47	354.94	6.57	-36.90
CCCC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010978471	0	40	-1.0	-42.06	358.52	7.35	-34.71
CCCC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010978472	0	37	-1.0	-42.05	347.55	6.34	-35.71
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010978473	0	40	-1.0	-47.37	345.53	7.44	-39.93
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010978474	0	40	-1.0	-47.06	356.62	7.47	-39.59
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300010978475	0	48	-1.0	-48.31	410.53	6.82	-41.49
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010978476	0	40	-1.0	-50.75	362.14	2.13	-48.62
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010978477	0	47	-1.0	-48.68	405.84	6.15	-42.53
CCCC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010978478	0	45	-1.0	-45.11	394.54	1.60	-43.51
CCCC[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010978479	1	35	-1.0	-39.52	325.88	5.25	-34.27
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010978480	0	45	-1.0	-44.37	373.91	5.28	-39.09
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300010978481	0	34	-1.0	-44.00	315.33	3.55	-40.45
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010978482	0	39	-1.0	-38.07	347.34	6.23	-31.84
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300010978483	0	34	-1.0	-52.20	310.54	4.19	-48.01
CCCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010978484	0	37	-1.0	-50.80	341.82	5.32	-45.48
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010978485	0	40	-1.0	-43.54	353.03	6.52	-37.02
CCCC[C@H](NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300010978486	0	46	-1.0	-46.64	375.32	5.09	-41.55
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010978487	0	39	-1.0	-45.59	335.22	4.47	-41.12
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010978488	0	40	-1.0	-53.37	359.64	2.17	-51.20
CCCC[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300010978489	0	48	-1.0	-44.64	379.29	4.97	-39.67
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010978490	0	42	-1.0	-50.51	345.63	6.39	-44.12
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010978491	0	37	-1.0	-59.59	323.91	3.71	-55.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300010978492	0	44	-1.0	-48.33	375.94	4.33	-44.00
CCCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010978493	0	37	-1.0	-42.94	340.52	5.80	-37.14
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978494	0	35	-1.0	-49.71	307.53	5.04	-44.67
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978495	0	43	-1.0	-52.46	366.41	6.37	-46.09
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010978496	0	34	-1.0	-40.04	317.68	5.27	-34.77
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300010978497	0	53	-1.0	-53.74	424.93	8.49	-45.25
CCCC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010978498	0	37	-1.0	-45.42	345.34	6.15	-39.27
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010978499	0	41	-1.0	-53.49	361.80	3.80	-49.69
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010978500	0	42	-1.0	-44.30	353.96	5.17	-39.13
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010978501	0	38	-1.0	-39.99	352.33	4.92	-35.07
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010978502	0	46	-1.0	-42.00	380.73	3.44	-38.56
CCCC[C@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978503	0	37	-1.0	-47.02	346.58	4.30	-42.72
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978504	0	43	-1.0	-43.39	376.25	6.99	-36.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010978505	0	45	-1.0	-44.77	404.70	7.98	-36.79
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010978506	0	43	-1.0	-45.52	356.95	5.74	-39.78
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978507	0	36	-1.0	-40.61	348.81	5.91	-34.70
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010978508	0	38	-1.0	-42.25	353.90	5.27	-36.98
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010978509	0	46	-1.0	-48.24	378.03	5.25	-42.99
CCCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978510	0	36	-1.0	-41.52	327.16	5.32	-36.20
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010978511	0	48	-1.0	-45.30	409.40	8.15	-37.15
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010978512	0	41	-1.0	-44.37	332.53	5.07	-39.30
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010978513	0	38	-1.0	-41.30	342.49	5.69	-35.61
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010978514	0	37	-1.0	-41.75	328.78	2.09	-39.66
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010978515	0	42	-1.0	-43.15	360.34	5.04	-38.11
CCCC[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010978516	0	34	-1.0	-40.69	327.07	5.72	-34.97
CCCC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010978517	0	45	-1.0	-41.35	371.80	4.49	-36.86
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010978518	0	44	-1.0	-44.73	370.62	5.47	-39.26
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978519	0	43	-1.0	-46.24	394.40	5.84	-40.40
CCCC[C@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010978520	0	41	-1.0	-44.55	354.36	4.34	-40.21
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010978521	0	34	-1.0	-50.71	330.68	4.69	-46.02
CCCC[C@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010978522	0	43	-1.0	-43.08	376.59	6.44	-36.64
CCCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010978523	0	40	-1.0	-47.15	363.47	5.24	-41.91
CCCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010978524	0	40	-1.0	-48.20	372.53	5.97	-42.23
CCCC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010978525	0	37	-1.0	-43.64	333.48	2.73	-40.91
CCCC[C@H](NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010978526	0	39	-1.0	-47.39	342.95	2.29	-45.10
CCCC[C@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300010978527	0	46	-1.0	-41.25	349.48	7.56	-33.69
CCCC[C@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010978529	0	34	-1.0	-41.20	327.05	4.86	-36.34
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010978530	0	39	-1.0	-51.02	349.97	5.10	-45.92
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300010978531	0	43	-1.0	-43.62	356.71	6.46	-37.16
CCCC[C@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010978532	1	33	-1.0	-40.98	325.39	2.80	-38.18
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010978533	0	39	-1.0	-38.16	339.40	5.89	-32.27
CCCC[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010978534	0	38	-1.0	-44.10	352.07	3.50	-40.60
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978535	0	39	-1.0	-51.90	338.57	6.38	-45.52
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978536	0	42	-1.0	-52.81	362.64	6.46	-46.35
CCCC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010978537	0	42	-1.0	-41.97	368.01	6.71	-35.26
CCCC[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010978538	0	39	-1.0	-44.39	352.82	4.28	-40.11
CCCC[C@H](NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300010978539	0	40	-1.0	-50.76	346.62	5.37	-45.39
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010978540	0	52	-1.0	-52.35	423.71	5.08	-47.27
CCCC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010978542	0	37	-1.0	-48.29	328.92	5.31	-42.98
CCCC[C@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010978543	0	45	-1.0	-47.64	385.11	6.56	-41.08
CCCC[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010978544	0	38	-1.0	-43.92	344.60	5.68	-38.24
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978545	0	39	-1.0	-42.27	350.08	5.91	-36.36
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010978546	0	40	-1.0	-43.40	342.70	6.08	-37.32
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010978547	0	48	-1.0	-48.92	402.93	5.78	-43.14
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010978548	0	37	-1.0	-59.83	336.03	4.51	-55.32
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010978549	0	37	-1.0	-43.97	337.46	6.01	-37.96
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010978550	0	37	-1.0	-43.41	332.70	5.87	-37.54
CCCC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010978551	0	37	-1.0	-42.39	332.21	5.39	-37.00
CCCC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010978552	0	45	-1.0	-45.76	397.47	2.25	-43.51
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010978553	0	33	-1.0	-43.57	314.53	3.97	-39.60
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010978554	0	45	-1.0	-44.67	380.95	5.49	-39.18
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010978555	0	37	-1.0	-41.46	355.07	6.37	-35.09
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010978556	0	42	-1.0	-48.88	362.79	2.65	-46.23
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978557	0	33	-1.0	-48.11	322.39	3.67	-44.44
CCCC[C@H](NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300010978558	0	40	-1.0	-55.30	339.33	4.92	-50.38
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010978559	0	39	-1.0	-42.25	347.78	3.43	-38.82
CCCC[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010978560	0	37	-1.0	-41.26	362.49	1.65	-39.61
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010978561	0	42	-1.0	-45.96	352.99	5.24	-40.72
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010978562	0	44	-1.0	-43.94	368.21	5.50	-38.44
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300010978563	0	37	-1.0	-43.50	330.69	5.00	-38.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010978564	0	41	-1.0	-43.60	354.01	4.38	-39.22
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010978565	0	43	-1.0	-47.00	385.92	4.49	-42.51
CCCC[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010978566	0	45	-1.0	-57.28	372.78	11.58	-45.70
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010978567	0	37	-1.0	-44.02	330.68	5.76	-38.26
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010978568	0	39	-1.0	-40.70	353.82	5.60	-35.10
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010978569	0	45	-1.0	-45.06	404.29	3.56	-41.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010978570	0	47	-1.0	-45.82	395.38	7.21	-38.61
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010978571	0	38	-1.0	-45.23	353.43	6.00	-39.23
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010978572	0	43	-1.0	-45.09	362.34	8.28	-36.81
CCCC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300010978573	0	43	-1.0	-43.15	345.48	2.85	-40.30
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010978574	0	37	-1.0	-44.76	325.35	3.29	-41.47
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010978575	0	42	-1.0	-52.82	351.74	6.48	-46.34
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010978576	0	40	-1.0	-48.28	342.24	6.42	-41.86
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010978577	0	47	-1.0	-55.60	388.84	5.88	-49.72
CCCC[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010978578	0	46	-1.0	-40.56	368.40	1.52	-39.04
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010978579	0	40	-1.0	-41.65	367.89	2.70	-38.95
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978580	0	43	-1.0	-43.08	380.10	6.23	-36.85
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010978581	0	41	-1.0	-43.82	342.74	4.67	-39.15
CCCC[C@H](NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978582	0	43	-1.0	-43.50	377.23	4.93	-38.57
CCCC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010978583	0	51	-1.0	-58.61	403.81	6.23	-52.38
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300010978584	0	47	-1.0	-44.76	406.80	6.33	-38.43
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010978585	0	35	-1.0	-50.12	329.41	5.46	-44.66
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010978586	0	38	-1.0	-38.18	338.01	5.09	-33.09
CCCC[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010978587	0	41	-1.0	-57.19	339.54	5.16	-52.03
CCCC[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010978588	0	39	-1.0	-47.66	344.98	4.63	-43.03
CCCC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010978589	0	54	-1.0	-44.27	415.51	6.18	-38.09
CCCC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010978590	0	48	-1.0	-39.55	384.68	4.62	-34.93
CCCC[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010978591	0	45	-1.0	-40.93	390.61	5.28	-35.65
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300010978592	0	37	-1.0	-47.97	312.56	4.93	-43.04
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300010978593	0	40	-1.0	-44.24	348.32	2.24	-42.00
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010978594	0	36	-1.0	-42.31	334.80	3.94	-38.37
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010978595	1	36	-1.0	-47.57	339.12	2.42	-45.15
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978596	0	40	-1.0	-43.24	360.50	5.35	-37.89
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010979001	0	44	-1.0	-46.84	366.60	6.22	-40.62
CCCC[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010979002	0	38	-1.0	-61.73	330.52	1.91	-59.82
CCCC[C@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010979003	0	37	-1.0	-41.57	339.61	5.41	-36.16
CCCC[C@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010979004	0	33	-1.0	-45.85	326.13	2.95	-42.90
CCCC[C@H](NS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010979005	0	40	-1.0	-61.43	342.98	2.26	-59.17
CCCC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010979006	0	36	-1.0	-45.07	327.78	5.80	-39.27
CCCC[C@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010979007	0	42	-1.0	-57.74	341.68	3.58	-54.16
CCCC[C@H](NS(=O)(=O)C1CC(=O)N(CC)C1)C(=O)[O-]	REAL300010979008	0	41	-1.0	-46.94	333.70	2.87	-44.07
CCCC[C@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	REAL300010979009	0	43	-1.0	-48.59	359.95	5.36	-43.23
CCCC[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010979010	0	45	-1.0	-46.21	382.62	1.22	-44.99
CCCC[C@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010979011	0	35	-1.0	-40.71	344.47	3.73	-36.98
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010979012	0	43	-1.0	-42.07	373.10	5.92	-36.15
CCCC[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010979013	1	37	-1.0	-49.62	346.89	5.75	-43.87
CCCC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010979014	0	37	-1.0	-41.69	329.23	3.34	-38.35
CCCC[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010979015	0	44	-1.0	-46.36	356.61	4.62	-41.74
CCCC[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010979016	0	31	-1.0	-40.58	306.94	4.17	-36.41
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010979017	0	46	-1.0	-41.42	365.94	4.81	-36.61
CCCC[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010979018	0	44	-1.0	-48.09	366.70	4.99	-43.10
CCCC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010979019	0	37	-1.0	-41.38	329.03	3.42	-37.96
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010979020	0	34	-1.0	-47.86	305.87	2.19	-45.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010979021	0	36	-1.0	-44.18	324.24	4.50	-39.68
CCCC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010979022	0	41	-1.0	-45.31	352.87	4.69	-40.62
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010979023	0	48	-1.0	-49.61	402.95	5.79	-43.82
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010979024	1	35	-1.0	-44.01	314.37	2.37	-41.64
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C=C1	REAL300010979025	0	44	-1.0	-43.73	376.49	7.40	-36.33
CCCC[C@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010979026	0	37	-1.0	-52.71	330.31	2.28	-50.43
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010979027	0	37	-1.0	-38.72	347.36	6.37	-32.35
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300010979028	0	40	-1.0	-46.59	343.53	3.62	-42.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010979029	0	39	-1.0	-49.86	344.32	5.10	-44.76
CCCC[C@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010979030	0	43	-1.0	-61.82	362.13	2.69	-59.13
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C=C1C(C)C	REAL300010979031	0	56	-1.0	-44.60	452.26	8.45	-36.15
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1C#N)C(=O)[O-]	REAL300010979032	0	38	-1.0	-45.67	338.39	5.56	-40.11
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1C#N)C(=O)[O-]	REAL300010979033	0	38	-1.0	-44.81	324.97	5.64	-39.17
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010979034	0	37	-1.0	-42.92	333.71	5.48	-37.44
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010979035	0	45	-1.0	-46.10	387.62	5.30	-40.80
CCCC[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010979036	0	38	-1.0	-42.11	345.67	6.31	-35.80
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300010979037	0	56	-1.0	-46.04	443.32	8.33	-37.71
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300010979038	0	50	-1.0	-43.68	411.59	7.10	-36.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010979039	0	41	-1.0	-46.20	362.69	6.61	-39.59
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010979040	0	40	-1.0	-40.94	343.10	6.71	-34.23
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010979041	0	48	-1.0	-51.35	380.24	4.10	-47.25
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010979042	0	37	-1.0	-42.52	349.83	6.27	-36.25
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010979043	0	37	-1.0	-44.05	344.04	5.90	-38.15
CCCC[C@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010979044	0	44	-1.0	-46.52	379.98	6.50	-40.02
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010979045	0	40	-1.0	-40.04	357.57	6.49	-33.55
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010979046	0	36	-1.0	-51.29	326.13	3.87	-47.42
CCCC[C@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010979047	0	38	-1.0	-47.47	345.51	4.81	-42.66
CCCC[C@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010979048	0	44	-1.0	-40.95	372.44	6.89	-34.06
CCCC[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010979049	0	46	-1.0	-41.45	362.15	6.02	-35.43
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OCC)C=NN1C)C(=O)[O-]	REAL300010979050	0	43	-1.0	-46.65	364.32	4.40	-42.25
CCCC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010979051	0	38	-1.0	-45.35	345.45	6.24	-39.11
CCCC[C@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010979052	0	39	-1.0	-40.17	334.00	4.70	-35.47
CCCC[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010979053	0	43	-1.0	-40.93	361.29	6.82	-34.11
CCCC[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010979054	0	39	-1.0	-45.57	321.71	1.40	-44.17
CCCC[C@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010979055	0	38	-1.0	-44.17	333.42	0.05	-44.12
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300010979056	0	43	-1.0	-42.10	348.17	6.98	-35.12
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010979057	0	46	-1.0	-50.87	405.02	6.27	-44.60
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010979058	0	47	-1.0	-45.18	396.09	5.29	-39.89
CCCC[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010979059	0	43	-1.0	-47.98	359.99	5.30	-42.68
CCCC[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010979060	0	34	-1.0	-42.59	306.99	4.75	-37.84
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010979061	0	39	-1.0	-48.59	350.31	3.41	-45.18
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010979062	0	40	-1.0	-42.34	349.54	6.15	-36.19
CCCC[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010979063	0	50	-1.0	-48.88	417.28	7.53	-41.35
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010979064	0	39	-1.0	-47.06	330.02	4.94	-42.12
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010979065	0	54	-1.0	-56.25	422.49	6.99	-49.26
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010979066	0	41	-1.0	-46.99	358.63	4.83	-42.16
CCCC[C@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010979067	0	32	-1.0	-45.35	291.38	3.33	-42.02
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010979068	0	48	-1.0	-42.52	392.60	4.66	-37.86
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010979069	0	49	-1.0	-58.55	409.99	7.27	-51.28
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300010979070	0	48	-1.0	-60.19	397.86	6.53	-53.66
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300010979071	0	37	-1.0	-46.10	309.14	1.73	-44.37
CCCC[C@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300010979072	0	45	-1.0	-38.90	341.83	4.67	-34.23
CCCC[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010979074	0	41	-1.0	-46.54	346.94	4.27	-42.27
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010979075	0	41	-1.0	-45.31	344.52	4.60	-40.71
CCCC[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010979076	0	44	-1.0	-43.83	361.44	5.39	-38.44
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010979077	0	46	-1.0	-46.31	386.41	7.37	-38.94
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OCC)C(=O)[O-]	REAL300010979078	0	47	-1.0	-44.03	383.28	6.15	-37.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010979079	0	44	-1.0	-48.55	370.64	5.37	-43.18
CCCC[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010979080	0	45	-1.0	-44.98	358.22	2.97	-42.01
CCCC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010979081	0	40	-1.0	-45.83	363.88	5.52	-40.31
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010979082	0	40	-1.0	-43.43	347.76	1.82	-41.61
CCCC[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010979083	1	31	-1.0	-44.05	299.95	3.34	-40.71
CCCC[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010979084	0	41	-1.0	-54.51	337.85	4.37	-50.14
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010979085	0	38	-1.0	-42.00	345.17	4.15	-37.85
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010979086	0	38	-1.0	-41.95	326.47	3.64	-38.31
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C=C1C(C)C	REAL300010979087	0	59	-1.0	-43.93	471.51	9.20	-34.73
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010979088	0	50	-1.0	-43.55	395.40	6.53	-37.02
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010979089	0	44	-1.0	-43.42	371.12	6.05	-37.37
CCCC[C@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300010979090	0	37	-1.0	-41.73	320.02	5.20	-36.53
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010979091	0	42	-1.0	-49.04	355.61	5.19	-43.85
CCCC[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010979092	0	42	-1.0	-43.30	365.71	4.28	-39.02
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010979093	0	42	-1.0	-43.96	367.53	6.84	-37.12
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010979094	0	38	-1.0	-45.72	335.35	5.26	-40.46
CCCC[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010979095	0	37	-1.0	-42.56	340.99	5.93	-36.63
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010979096	0	37	-1.0	-42.48	341.28	6.56	-35.92
CCCC[C@H](NS(=O)(=O)C1=CN=CC(CC)=C1)C(=O)[O-]	REAL300010979097	0	39	-1.0	-44.08	336.87	4.27	-39.81
CCCC[C@H](NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010979098	0	39	-1.0	-43.52	347.99	3.45	-40.07
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010979099	0	51	-1.0	-59.57	409.29	6.72	-52.85
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010979100	0	40	-1.0	-46.62	349.81	5.22	-41.40
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010979101	0	48	-1.0	-58.04	398.86	6.25	-51.79
CCCC[C@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010979102	0	31	-1.0	-41.26	303.94	4.08	-37.18
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010979103	0	34	-1.0	-42.65	321.25	2.75	-39.90
CCCC[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010979104	0	36	-1.0	-39.34	330.94	3.76	-35.58
CCCC[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300010979105	0	39	-1.0	-56.03	340.67	4.24	-51.79
CCCC[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010979106	0	43	-1.0	-42.30	343.43	4.59	-37.71
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010979107	0	38	-1.0	-45.75	339.24	4.68	-41.07
CCCC[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010979108	0	35	-1.0	-40.17	311.92	3.37	-36.80
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010979109	0	37	-1.0	-53.59	340.67	4.23	-49.36
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010979110	0	37	-1.0	-47.63	338.14	6.05	-41.58
CCCC[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010979111	0	41	-1.0	-45.36	347.53	4.32	-41.04
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010979112	0	43	-1.0	-43.18	351.81	6.90	-36.28
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010979113	0	42	-1.0	-48.92	355.19	4.43	-44.49
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010979114	0	43	-1.0	-46.30	367.61	1.83	-44.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010979115	0	35	-1.0	-40.84	339.80	5.53	-35.31
CCCC[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010979116	0	37	-1.0	-45.36	314.04	4.36	-41.00
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010979117	0	42	-1.0	-48.97	355.54	4.92	-44.05
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010979118	1	37	-1.0	-43.40	357.58	4.03	-39.37
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010979119	0	47	-1.0	-47.09	384.12	5.46	-41.63
CCCC[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010979120	0	38	-1.0	-44.71	348.57	6.48	-38.23
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010979121	0	41	-1.0	-47.56	354.88	4.45	-43.11
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010979123	0	38	-1.0	-46.01	338.19	4.23	-41.78
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010979124	0	38	-1.0	-47.21	339.21	4.66	-42.55
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010979125	0	37	-1.0	-48.67	328.37	3.83	-44.84
CCCC[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010979126	0	39	-1.0	-57.00	330.14	3.17	-53.83
CCCC[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010979127	0	37	-1.0	-45.36	314.04	4.36	-41.00
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010979129	0	40	-1.0	-41.70	350.74	6.49	-35.21
CCCC[C@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010979130	0	45	-1.0	-42.10	353.94	5.09	-37.01
CCCC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010979131	0	40	-1.0	-40.09	364.14	5.69	-34.40
CCCC[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010979132	0	37	-1.0	-43.99	327.97	4.86	-39.13
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010979133	0	44	-1.0	-46.92	369.73	4.95	-41.97
CCCC[C@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010979134	0	42	-1.0	-42.92	356.29	4.54	-38.38
CCCC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010979135	0	52	-1.0	-44.43	408.91	8.50	-35.93
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010979136	0	40	-1.0	-40.85	370.50	6.49	-34.36
CCCC[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010979137	0	31	-1.0	-51.39	302.25	4.07	-47.32
CCCC[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010979138	0	44	-1.0	-46.86	373.29	5.27	-41.59
CCCC[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010979139	0	38	-1.0	-45.44	329.08	5.60	-39.84
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010979140	0	45	-1.0	-40.40	377.74	7.31	-33.09
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010979141	0	47	-1.0	-58.99	389.10	3.02	-55.97
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010979142	0	43	-1.0	-56.89	363.46	5.87	-51.02
CCCC[C@H](NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300010979143	0	43	-1.0	-44.01	363.68	6.83	-37.18
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010979144	0	40	-1.0	-47.50	355.58	2.97	-44.53
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010979145	0	35	-1.0	-42.98	322.87	4.99	-37.99
CCCC[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010979146	0	41	-1.0	-47.21	343.59	4.18	-43.03
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010979147	0	38	-1.0	-38.40	355.74	5.96	-32.44
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010979148	0	46	-1.0	-45.45	397.72	7.50	-37.95
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010979149	0	43	-1.0	-44.13	342.82	4.50	-39.63
CCCC[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010979150	0	43	-1.0	-45.32	361.53	4.30	-41.02
CCCC[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010979151	0	41	-1.0	-44.72	347.13	3.62	-41.10
CCCC[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010979152	0	39	-1.0	-40.18	347.95	4.41	-35.77
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010979153	0	37	-1.0	-39.37	344.76	5.70	-33.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010979154	0	37	-1.0	-42.56	326.93	5.47	-37.09
CCCC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010979155	0	34	-1.0	-40.62	314.47	4.97	-35.65
CCCC[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010979156	0	34	-1.0	-37.87	328.78	4.70	-33.17
CCCC[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010979157	0	39	-1.0	-36.14	314.15	3.53	-32.61
CCCC[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010979158	0	44	-1.0	-46.79	381.12	3.67	-43.12
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010979159	0	31	-1.0	-43.98	303.68	3.35	-40.63
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010979160	0	37	-1.0	-38.74	351.20	6.05	-32.69
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010979161	0	37	-1.0	-44.02	315.98	5.81	-38.21
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300010979162	0	45	-1.0	-48.79	383.87	6.66	-42.13
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010979163	0	45	-1.0	-44.55	364.56	7.55	-37.00
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010979164	0	44	-1.0	-50.35	377.28	6.27	-44.08
CCCC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010979165	0	40	-1.0	-41.81	358.34	5.59	-36.22
CCCC[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010979166	0	40	-1.0	-45.11	340.68	5.04	-40.07
CCCC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010979167	0	39	-1.0	-38.72	337.19	5.29	-33.43
CCCC[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010979168	0	41	-1.0	-47.49	350.93	2.94	-44.55
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010979169	0	34	-1.0	-41.03	333.98	5.82	-35.21
CCCC[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010979170	0	34	-1.0	-41.24	313.49	4.85	-36.39
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010979171	0	41	-1.0	-44.57	348.51	6.72	-37.85
CCCC[C@H](NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300010979172	0	35	-1.0	-41.76	305.73	3.60	-38.16
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979173	0	37	-1.0	-40.87	325.89	6.08	-34.79
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010979174	0	40	-1.0	-41.75	362.01	4.92	-36.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010979175	0	41	-1.0	-47.56	341.45	6.39	-41.17
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010979176	0	44	-1.0	-44.83	364.12	5.23	-39.60
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300010979177	0	43	-1.0	-43.03	357.00	4.45	-38.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010979178	0	43	-1.0	-48.58	370.16	2.16	-46.42
CCCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010979179	0	37	-1.0	-52.90	353.24	1.12	-51.78
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010979180	0	43	-1.0	-48.58	370.16	2.16	-46.42
CCCC[C@H](NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010979181	0	35	-1.0	-47.79	323.16	4.98	-42.81
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979182	0	37	-1.0	-43.95	319.60	6.01	-37.94
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010979183	0	46	-1.0	-51.75	384.54	8.34	-43.41
CCCC[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010979184	0	48	-1.0	-43.17	367.13	5.51	-37.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010979185	0	34	-1.0	-43.89	323.16	3.85	-40.04
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010979186	0	38	-1.0	-37.64	322.04	4.83	-32.81
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010979187	0	48	-1.0	-47.21	397.00	3.78	-43.43
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010979188	0	40	-1.0	-44.85	352.51	6.15	-38.70
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010979189	0	38	-1.0	-44.69	336.29	4.16	-40.53
CCCC[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010979190	0	49	-1.0	-41.69	394.57	7.32	-34.37
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300010979191	0	35	-1.0	-43.05	323.08	3.07	-39.98
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010979192	0	45	-1.0	-52.90	367.92	6.93	-45.97
CCCC[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010979193	0	42	-1.0	-39.30	354.83	4.76	-34.54
CCCC[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010979194	0	37	-1.0	-45.36	331.97	3.33	-42.03
CCCC[C@H](NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300010979195	0	44	-1.0	-43.95	375.87	5.34	-38.61
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979196	0	43	-1.0	-43.82	371.17	6.58	-37.24
CCCC[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010979197	0	44	-1.0	-48.40	378.99	5.82	-42.58
CCCC[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010979198	0	47	-1.0	-47.67	385.69	5.58	-42.09
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010979199	0	45	-1.0	-44.59	387.62	7.49	-37.10
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010979200	0	37	-1.0	-43.89	311.77	5.28	-38.61
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OCC)C(=O)[O-]	REAL300010979201	0	46	-1.0	-45.16	385.14	7.55	-37.61
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010979202	0	40	-1.0	-42.51	357.00	6.36	-36.15
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010979203	0	39	-1.0	-47.48	358.70	6.05	-41.43
CCCC[C@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010979204	0	33	-1.0	-45.03	318.55	2.81	-42.22
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010979205	0	35	-1.0	-48.99	311.13	4.61	-44.38
CCCC[C@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010979206	0	38	-1.0	-40.52	336.82	4.06	-36.46
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010979207	1	35	-1.0	-44.01	314.37	2.37	-41.64
CCCC[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010979208	0	40	-1.0	-39.42	363.79	5.52	-33.90
CCCC[C@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010979209	0	33	-1.0	-37.99	314.69	3.24	-34.75
CCCC[C@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010979210	0	46	-1.0	-43.25	378.61	2.28	-40.97
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300010979211	0	37	-1.0	-41.56	324.01	2.97	-38.59
CCCC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010979212	0	38	-1.0	-45.26	349.46	6.33	-38.93
CCCC[C@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010979213	0	40	-1.0	-42.94	384.39	5.86	-37.08
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010979215	0	36	-1.0	-46.57	326.37	3.40	-43.17
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010979216	0	39	-1.0	-49.20	355.75	5.81	-43.39
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010979217	0	39	-1.0	-48.75	351.55	5.63	-43.12
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010979218	0	36	-1.0	-46.57	326.37	3.40	-43.17
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010979219	0	43	-1.0	-48.71	357.70	7.50	-41.21
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010979220	0	38	-1.0	-48.76	350.71	5.61	-43.15
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010979221	0	41	-1.0	-44.85	357.22	4.99	-39.86
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010979222	0	48	-1.0	-42.61	401.18	6.07	-36.54
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010979223	0	34	-1.0	-43.96	315.01	4.90	-39.06
CCCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010979224	0	40	-1.0	-59.11	362.92	0.92	-58.19
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010979225	0	44	-1.0	-49.42	366.80	5.83	-43.59
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010979226	0	40	-1.0	-43.76	360.92	2.83	-40.93
CCCC[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010979227	0	38	-1.0	-43.22	335.35	5.86	-37.36
CCCC[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010979228	0	38	-1.0	-41.98	350.24	6.40	-35.58
CCCC[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010979229	0	38	-1.0	-44.38	352.49	6.44	-37.94
CCCC[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010979230	0	39	-1.0	-42.21	341.05	-1.47	-43.68
CCCC[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010979231	0	37	-1.0	-52.78	324.79	5.03	-47.75
CCCC[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010979232	0	40	-1.0	-56.11	329.41	4.86	-51.25
CCCC[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010979233	0	36	-1.0	-46.52	330.25	4.03	-42.49
CCCC[C@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010979234	0	42	-1.0	-45.10	349.36	1.74	-43.36
CCCC[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010979235	0	43	-1.0	-53.93	370.81	3.77	-50.16
CCCC[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010979236	0	51	-1.0	-41.72	371.53	7.42	-34.30
CCCC[C@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010979237	0	44	-1.0	-43.33	357.90	3.90	-39.43
CCCC[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010979238	0	37	-1.0	-45.28	328.86	0.27	-45.01
CCCC[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010979239	0	42	-1.0	-45.52	333.53	5.00	-40.52
CCCC[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010979240	0	42	-1.0	-54.63	368.35	1.38	-53.25
CCCC[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010979241	0	47	-1.0	-41.88	368.81	4.89	-36.99
CCCC[C@H](NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)OCC)=N1)C(=O)[O-]	REAL300010979242	0	46	-1.0	-57.32	398.05	6.29	-51.03
CCCC[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010979243	0	44	-1.0	-41.50	368.47	6.88	-34.62
CCCC[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010979244	0	38	-1.0	-50.03	345.85	3.62	-46.41
CCCC[C@H](NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010979245	0	43	-1.0	-50.05	378.46	6.45	-43.60
CCCC[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010979246	0	44	-1.0	-41.29	377.84	7.44	-33.85
CCCC[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010979247	0	43	-1.0	-43.20	350.35	2.08	-41.12
CCCC[C@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)OCC)C(=O)[O-]	REAL300010979248	0	43	-1.0	-43.76	370.81	5.47	-38.29
CCCC[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010979249	0	47	-1.0	-42.16	365.62	6.59	-35.57
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010979250	0	38	-1.0	-45.01	343.12	5.94	-39.07
CCCC[C@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010979251	0	45	-1.0	-42.54	364.25	5.46	-37.08
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010979252	0	56	-1.0	-47.18	428.99	8.80	-38.38
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010979253	0	37	-1.0	-43.81	344.77	5.43	-38.38
CCCC[C@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010979254	0	45	-1.0	-44.61	369.04	5.44	-39.17
CCCC[C@H](NS(=O)(=O)NCC1=CC=CC(C)=C1)C(=O)[O-]	REAL300010979255	0	42	-1.0	-43.69	356.20	4.44	-39.25
CCCC[C@H](NS(=O)(=O)C1=NNC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010979256	0	40	-1.0	-44.62	354.13	2.66	-41.96
CCCC[C@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010979257	0	39	-1.0	-55.16	340.31	2.22	-52.94
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010979258	1	37	-1.0	-43.29	353.51	3.92	-39.37
CCCC[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010979259	0	46	-1.0	-45.31	357.21	5.05	-40.26
CCCC[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010979260	0	45	-1.0	-42.58	379.52	6.52	-36.06
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010979261	0	38	-1.0	-43.98	347.29	5.82	-38.16
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010979262	0	38	-1.0	-45.26	346.15	5.40	-39.86
CCCC[C@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010979263	0	38	-1.0	-44.97	336.85	4.19	-40.78
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010979264	0	38	-1.0	-46.20	344.79	4.26	-41.94
CCCC[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010979265	0	40	-1.0	-47.36	340.44	4.56	-42.80
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010979266	0	37	-1.0	-44.09	325.02	6.04	-38.05
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010979267	0	43	-1.0	-45.94	375.92	5.07	-40.87
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010979268	0	31	-1.0	-37.84	324.38	4.71	-33.13
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010979269	0	34	-1.0	-40.87	302.48	2.12	-38.75
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010979270	0	47	-1.0	-49.00	391.60	7.02	-41.98
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010979271	0	51	-1.0	-43.28	415.47	6.49	-36.79
CCCC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010979272	0	37	-1.0	-47.30	354.86	6.03	-41.27
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010979273	0	39	-1.0	-46.15	351.97	5.30	-40.85
CCCC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300010979274	0	42	-1.0	-43.65	355.86	4.07	-39.58
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010979275	0	45	-1.0	-48.70	389.35	7.56	-41.14
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010979276	0	40	-1.0	-46.06	329.67	6.40	-39.66
CCCC[C@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010979277	0	37	-1.0	-52.71	330.31	2.28	-50.43
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010979278	0	39	-1.0	-41.45	351.91	3.17	-38.28
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010979279	0	35	-1.0	-44.10	328.03	3.56	-40.54
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300010979280	0	36	-1.0	-39.92	323.29	4.05	-35.87
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])=C1	REAL300010979281	0	45	-1.0	-45.81	382.64	6.24	-39.57
CCCC[C@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010979282	0	44	-1.0	-48.05	376.92	5.33	-42.72
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010979283	0	38	-1.0	-47.52	335.14	3.89	-43.63
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010979284	0	40	-1.0	-42.70	359.67	7.37	-35.33
CCCC[C@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300010979285	0	42	-1.0	-44.59	359.12	3.83	-40.76
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010979286	0	44	-1.0	-43.56	387.97	8.52	-35.04
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010979287	0	37	-1.0	-41.94	349.53	5.53	-36.41
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300010979288	0	40	-1.0	-40.86	356.10	6.46	-34.40
CCCC[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010979289	0	47	-1.0	-45.46	383.11	5.76	-39.70
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010979290	0	31	-1.0	-38.73	305.86	4.11	-34.62
CCCC[C@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010979291	0	48	-1.0	-43.62	387.69	4.91	-38.71
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010979292	0	40	-1.0	-44.96	352.77	7.33	-37.63
CCCC[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010979293	0	42	-1.0	-46.83	345.90	2.19	-44.64
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010979294	0	41	-1.0	-43.27	338.31	6.71	-36.56
CCCC[C@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010979295	0	45	-1.0	-52.82	341.82	4.30	-48.52
CCCC[C@H](NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010979296	0	43	-1.0	-45.00	348.92	1.15	-43.85
CCCC[C@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010979297	0	48	-1.0	-42.68	400.21	5.60	-37.08
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010979298	0	49	-1.0	-44.76	400.83	5.03	-39.73
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010979299	0	37	-1.0	-41.57	326.19	2.45	-39.12
CCCC[C@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300010979300	0	40	-1.0	-43.59	346.63	2.04	-41.55
CCCC[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010979301	0	43	-1.0	-45.12	360.00	4.74	-40.38
CCCC[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300010979302	0	43	-1.0	-47.60	363.08	4.33	-43.27
CCCC[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010979303	0	33	-1.0	-40.76	324.38	2.54	-38.22
CCCC[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010979304	0	44	-1.0	-38.55	349.18	2.10	-36.45
CCCC[C@H](NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300010979305	0	40	-1.0	-45.42	351.07	2.46	-42.96
CCCC[C@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010979306	0	32	-1.0	-58.87	299.90	3.52	-55.35
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010979307	0	37	-1.0	-53.22	345.24	4.33	-48.89
CCCC[C@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010979308	1	32	-1.0	-44.92	312.31	2.42	-42.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010979309	0	38	-1.0	-53.63	347.71	2.65	-50.98
CCCC[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1C)C(=O)[O-]	REAL300010979310	0	40	-1.0	-42.30	338.22	5.97	-36.33
CCCC[C@H](NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010979311	0	33	-1.0	-46.56	303.48	3.26	-43.30
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010979312	0	38	-1.0	-40.44	330.70	5.34	-35.10
CCCC[C@H](NS(=O)(=O)C1=CN=CC=C1OC)C(=O)[O-]	REAL300010979313	0	37	-1.0	-41.90	305.10	2.89	-39.01
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010979314	0	36	-1.0	-44.15	334.20	3.72	-40.43
CCCC[C@H](NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010979315	0	37	-1.0	-49.84	336.21	1.79	-48.05
CCCC[C@H](NS(=O)(=O)C1=C(C)N=C(NC(=O)CC)S1)C(=O)[O-]	REAL300010979316	0	43	-1.0	-50.98	381.23	3.68	-47.30
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010979317	0	41	-1.0	-53.88	361.35	2.42	-51.46
CCCC[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010979318	0	38	-1.0	-40.12	359.90	6.73	-33.39
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979319	0	39	-1.0	-39.32	344.76	6.59	-32.73
CCCC[C@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010979320	1	33	-1.0	-45.47	320.19	3.48	-41.99
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010979321	0	45	-1.0	-47.06	369.43	4.95	-42.11
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010979322	0	40	-1.0	-43.61	339.91	3.80	-39.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010979323	0	42	-1.0	-46.73	354.60	5.95	-40.78
CCCC[C@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010979324	0	42	-1.0	-42.74	363.82	3.97	-38.77
CCCC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010979325	0	37	-1.0	-42.66	330.78	6.36	-36.30
CCCC[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010979326	0	41	-1.0	-43.29	347.57	4.82	-38.47
CCCC[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010979327	0	41	-1.0	-47.94	348.24	5.84	-42.10
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010979328	0	36	-1.0	-46.51	329.37	3.64	-42.87
CCCC[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010979329	0	39	-1.0	-49.40	333.07	4.98	-44.42
CCCC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300010979330	0	43	-1.0	-46.18	360.29	4.36	-41.82
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010979331	0	41	-1.0	-42.37	359.15	6.82	-35.55
CCCC[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010979332	0	36	-1.0	-46.10	328.52	3.73	-42.37
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010979333	0	34	-1.0	-40.82	316.02	5.13	-35.69
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010979334	0	46	-1.0	-42.66	362.27	5.37	-37.29
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010979335	0	48	-1.0	-44.82	407.75	8.21	-36.61
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010979336	0	41	-1.0	-42.76	358.53	6.82	-35.94
CCCC[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010979337	0	31	-1.0	-40.58	306.94	4.17	-36.41
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010979338	0	38	-1.0	-45.63	334.64	4.58	-41.05
CCCC[C@H](NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010979339	0	36	-1.0	-40.09	327.84	4.13	-35.96
CCCC[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010979340	0	39	-1.0	-53.96	329.48	5.67	-48.29
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010979341	0	43	-1.0	-45.03	363.28	6.63	-38.40
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010979342	0	45	-1.0	-46.67	381.27	8.70	-37.97
CCCC[C@H](NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300010979343	0	39	-1.0	-48.91	332.30	4.20	-44.71
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010979344	0	37	-1.0	-45.45	322.96	5.13	-40.32
CCCC[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010979345	0	33	-1.0	-41.29	315.61	3.42	-37.87
CCCC[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979346	0	36	-1.0	-47.03	321.63	4.18	-42.85
CCCC[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010979347	0	37	-1.0	-38.98	330.80	4.34	-34.64
CCCC[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010979348	0	42	-1.0	-47.15	347.29	0.31	-46.84
CCCC[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010979349	0	41	-1.0	-43.78	330.61	2.77	-41.01
CCCC[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010979350	0	40	-1.0	-40.52	337.61	4.12	-36.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010979351	0	36	-1.0	-44.90	323.43	4.28	-40.62
CCCC[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010979352	1	33	-1.0	-41.21	318.01	4.77	-36.44
CCCC[C@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010979353	0	38	-1.0	-58.39	347.19	3.89	-54.50
CCCC[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010979354	0	38	-1.0	-43.22	335.35	5.86	-37.36
CCCC[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010979355	0	38	-1.0	-44.52	347.93	6.33	-38.19
CCCC[C@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010979356	0	43	-1.0	-48.61	379.05	4.23	-44.38
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300010979357	0	37	-1.0	-48.54	324.88	2.04	-46.50
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010979358	0	41	-1.0	-43.13	352.87	6.94	-36.19
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010979359	0	37	-1.0	-51.33	343.18	6.13	-45.20
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010979360	0	38	-1.0	-41.15	336.76	4.06	-37.09
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010979361	0	41	-1.0	-45.36	344.21	5.22	-40.14
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010979362	0	47	-1.0	-48.40	403.24	6.25	-42.15
CCCC[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010979363	0	47	-1.0	-45.82	398.59	7.15	-38.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300010979364	0	37	-1.0	-46.62	314.91	2.79	-43.83
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010979365	0	40	-1.0	-40.44	348.11	2.72	-37.72
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010979366	0	40	-1.0	-41.80	365.10	6.66	-35.14
CCCC[C@H](NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010979367	0	39	-1.0	-46.71	338.44	4.29	-42.42
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010979368	0	40	-1.0	-47.68	342.34	6.01	-41.67
CCCC[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010979369	0	39	-1.0	-45.31	330.48	4.89	-40.42
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010979370	0	34	-1.0	-40.22	314.01	5.70	-34.52
CCCC[C@H](NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300010979371	0	40	-1.0	-49.56	341.05	3.85	-45.71
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010979372	0	45	-1.0	-45.07	395.92	5.63	-39.44
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010979373	0	42	-1.0	-50.87	340.85	6.23	-44.64
CCCC[C@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010979374	1	30	-1.0	-38.58	302.88	3.06	-35.52
CCCC[C@H](NS(=O)(=O)C1=CC(C)=NC(C)=C1)C(=O)[O-]	REAL300010979375	0	39	-1.0	-43.21	335.51	4.06	-39.15
CCCC[C@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300010979376	0	36	-1.0	-42.05	309.09	3.00	-39.05
CCCC[C@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010979377	0	36	-1.0	-42.66	335.67	3.12	-39.54
CCCC[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010979378	0	41	-1.0	-56.37	333.50	7.76	-48.61
CCCC[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1C)C(=O)[O-]	REAL300010979379	0	36	-1.0	-44.70	327.59	4.06	-40.64
CCCC[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010979380	0	36	-1.0	-51.71	316.59	4.11	-47.60
CCCC[C@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300010979381	0	34	-1.0	-38.11	319.53	4.94	-33.17
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010979382	0	36	-1.0	-44.22	327.64	3.62	-40.60
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010979383	0	41	-1.0	-45.34	356.61	5.07	-40.27
CCCC[C@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300010979384	0	51	-1.0	-55.56	365.60	9.46	-46.10
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010979385	0	47	-1.0	-46.62	387.54	6.61	-40.01
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1O)C(=O)[O-]	REAL300010979386	0	38	-1.0	-46.93	317.14	3.56	-43.37
CCCC[C@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010979387	1	39	-1.0	-46.72	350.19	3.64	-43.08
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Br)C3=CC=CC=C3C=C1)C2	REAL300010979388	0	36	-1.0	-52.43	333.80	7.11	-45.32
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CN=C1Cl)C2	REAL300010979389	0	29	-1.0	-52.70	282.15	2.92	-49.78
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C2	REAL300010979390	0	30	-1.0	-50.57	294.58	4.77	-45.80
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C2	REAL300010979391	0	30	-1.0	-51.34	290.97	4.91	-46.43
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979392	0	42	-1.0	-50.75	333.77	6.82	-43.93
COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979393	0	39	-1.0	-54.06	338.99	4.70	-49.36
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979394	0	36	-1.0	-55.45	318.39	5.68	-49.77
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979395	0	39	-1.0	-52.45	350.21	5.73	-46.72
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C2	REAL300010979396	0	30	-1.0	-50.94	302.36	5.22	-45.72
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010979397	0	36	-1.0	-59.28	328.73	4.89	-54.39
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979398	0	42	-1.0	-51.05	349.47	6.48	-44.57
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979399	0	39	-1.0	-51.12	333.50	6.09	-45.03
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979400	0	42	-1.0	-51.02	352.27	6.72	-44.30
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979401	0	41	-1.0	-55.07	369.90	2.10	-52.97
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)NC3=C1)C2	REAL300010979402	0	34	-1.0	-54.95	309.01	0.97	-53.98
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979403	0	40	-1.0	-55.26	355.77	3.16	-52.10
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C2	REAL300010979404	0	32	-1.0	-50.30	315.23	5.43	-44.87
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C2	REAL300010979405	0	30	-1.0	-52.42	292.75	5.34	-47.08
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)S1)C2	REAL300010979406	0	27	-1.0	-50.26	283.19	3.78	-46.48
CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979407	0	39	-1.0	-51.29	337.96	6.36	-44.93
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C2	REAL300010979408	0	30	-1.0	-49.31	308.30	5.37	-43.94
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010979409	0	34	-1.0	-53.33	323.15	4.12	-49.21
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979410	0	41	-1.0	-63.54	358.72	2.84	-60.70
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C2	REAL300010979411	0	30	-1.0	-51.51	292.18	4.37	-47.14
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C2	REAL300010979412	0	30	-1.0	-49.37	307.07	5.17	-44.20
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1Cl)C2	REAL300010979413	0	30	-1.0	-51.72	287.43	4.76	-46.96
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979414	0	42	-1.0	-55.88	383.10	5.46	-50.42
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979415	0	42	-1.0	-58.04	372.96	6.34	-51.70
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C2	REAL300010979416	1	30	-1.0	-54.76	280.01	4.39	-50.37
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C2	REAL300010979417	0	29	-1.0	-50.95	285.48	2.77	-48.18
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C2	REAL300010979418	0	30	-1.0	-50.08	296.14	4.76	-45.32
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C2	REAL300010979419	0	33	-1.0	-49.58	315.78	6.23	-43.35
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010979420	0	33	-1.0	-50.16	312.77	5.34	-44.82
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1NC(C)=O	REAL300010979421	0	41	-1.0	-60.81	358.11	2.47	-58.34
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C2	REAL300010979422	0	34	-1.0	-50.21	319.57	3.93	-46.28
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1C	REAL300010979423	0	45	-1.0	-51.58	350.43	7.39	-44.19
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCCCOC3=C1)C2	REAL300010979424	0	39	-1.0	-53.36	336.06	4.10	-49.26
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010979425	0	35	-1.0	-57.03	317.44	5.34	-51.69
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)S1)C2	REAL300010979426	0	27	-1.0	-50.25	287.83	3.89	-46.36
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010979427	0	36	-1.0	-49.70	331.43	6.56	-43.14
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979428	0	34	-1.0	-52.93	323.92	4.57	-48.36
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979429	0	48	-1.0	-49.89	375.66	8.04	-41.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C3CCCCC3)C=C1)C2	REAL300010979430	0	46	-1.0	-50.94	375.45	7.95	-42.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C2	REAL300010979431	0	33	-1.0	-50.66	312.01	5.16	-45.50
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3CCCCC3=C1)C2	REAL300010979432	0	40	-1.0	-51.26	336.28	6.63	-44.63
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979433	0	38	-1.0	-54.23	331.90	3.24	-50.99
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300010979434	0	38	-1.0	-53.29	331.97	3.35	-49.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C2	REAL300010979435	0	40	-1.0	-53.97	370.82	3.73	-50.24
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3CCCC3=C1)C2	REAL300010979436	0	37	-1.0	-51.69	319.05	6.06	-45.63
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979437	0	37	-1.0	-56.36	348.52	2.32	-54.04
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=CC=C3CC1)C2	REAL300010979438	0	38	-1.0	-51.70	328.65	6.57	-45.13
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C2	REAL300010979439	0	30	-1.0	-50.65	286.07	4.31	-46.34
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979440	0	40	-1.0	-56.24	344.89	3.96	-52.28
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C2	REAL300010979441	0	27	-1.0	-47.69	296.88	4.35	-43.34
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979442	0	45	-1.0	-51.31	377.02	7.65	-43.66
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=CC=CC=C31)C2	REAL300010979443	0	36	-1.0	-53.64	315.44	6.55	-47.09
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300010979444	0	40	-1.0	-52.76	347.78	7.55	-45.21
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C2	REAL300010979445	0	33	-1.0	-49.50	325.74	5.75	-43.75
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C2	REAL300010979446	0	30	-1.0	-48.64	309.51	5.84	-42.80
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979447	0	45	-1.0	-51.03	363.70	6.95	-44.08
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979448	0	33	-1.0	-51.97	308.73	5.26	-46.71
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C2	REAL300010979449	0	30	-1.0	-49.88	292.55	4.34	-45.54
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C2	REAL300010979450	1	30	-1.0	-48.57	306.59	4.91	-43.66
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C2	REAL300010979451	0	33	-1.0	-51.42	318.91	5.24	-46.18
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C2	REAL300010979452	0	30	-1.0	-48.10	305.99	4.92	-43.18
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C2	REAL300010979453	0	30	-1.0	-48.52	291.69	4.38	-44.14
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=NON=C31)C2	REAL300010979454	0	31	-1.0	-59.42	282.84	3.01	-56.41
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C2	REAL300010979455	0	33	-1.0	-52.40	317.58	5.21	-47.19
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=CC=CN=C31)C2	REAL300010979456	0	35	-1.0	-57.30	314.26	4.79	-52.51
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C2	REAL300010979457	0	33	-1.0	-49.77	305.45	5.78	-43.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OC3=CC=CC=C3Cl)C=C1)C2	REAL300010979458	0	41	-1.0	-51.45	379.21	7.56	-43.89
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C2	REAL300010979459	0	30	-1.0	-51.98	295.74	4.74	-47.24
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C2	REAL300010979460	0	30	-1.0	-49.42	296.75	4.99	-44.43
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979461	0	36	-1.0	-51.32	330.29	4.62	-46.70
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979462	0	34	-1.0	-54.43	308.96	3.52	-50.91
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C2	REAL300010979463	1	30	-1.0	-50.51	286.43	4.46	-46.05
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C2	REAL300010979464	0	30	-1.0	-51.25	300.26	4.82	-46.43
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C=C1	REAL300010979465	0	45	-1.0	-52.93	391.45	6.29	-46.64
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979466	0	37	-1.0	-54.39	343.12	3.68	-50.71
CN(C1CCCCC1)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979467	0	41	-1.0	-50.63	327.74	4.48	-46.15
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010979468	0	46	-1.0	-53.38	383.04	7.45	-45.93
N#CC1=CC=CC(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979469	0	34	-1.0	-57.91	318.08	5.25	-52.66
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010979470	0	33	-1.0	-52.34	311.83	5.91	-46.43
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C2	REAL300010979471	0	33	-1.0	-54.54	329.14	5.83	-48.71
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010979472	0	40	-1.0	-53.82	343.13	5.89	-47.93
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(N)=O	REAL300010979473	0	37	-1.0	-53.54	323.86	1.61	-51.93
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(N)=O	REAL300010979474	0	38	-1.0	-57.27	335.04	1.54	-55.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979475	0	35	-1.0	-51.79	316.80	5.73	-46.06
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979476	0	37	-1.0	-58.58	335.85	3.10	-55.48
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979477	0	35	-1.0	-52.95	311.57	5.57	-47.38
CN1C=NC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010979478	0	30	-1.0	-55.41	289.09	3.63	-51.78
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979479	0	36	-1.0	-51.81	345.05	5.30	-46.51
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C2	REAL300010979480	0	29	-1.0	-52.81	291.36	2.89	-49.92
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979481	0	39	-1.0	-65.13	358.60	2.34	-62.79
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010979482	0	37	-1.0	-56.51	334.42	3.16	-53.35
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010979483	0	44	-1.0	-61.46	366.22	5.79	-55.67
CS(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979484	0	35	-1.0	-65.97	322.19	0.19	-65.78
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1C	REAL300010979485	0	40	-1.0	-52.25	334.07	4.97	-47.28
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C2	REAL300010979486	0	30	-1.0	-50.55	297.10	4.98	-45.57
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010979487	0	41	-1.0	-53.41	356.54	3.65	-49.76
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C2	REAL300010979488	0	33	-1.0	-53.97	318.26	5.50	-48.47
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C2	REAL300010979489	0	30	-1.0	-50.73	309.38	5.23	-45.50
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979490	0	43	-1.0	-59.16	376.98	3.93	-55.23
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979491	0	44	-1.0	-55.69	384.60	2.97	-52.72
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979492	0	38	-1.0	-55.49	334.27	6.61	-48.88
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979493	0	42	-1.0	-51.30	354.71	6.82	-44.48
COCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979494	0	40	-1.0	-51.82	350.13	4.65	-47.17
COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979495	0	42	-1.0	-49.65	344.09	1.26	-48.39
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979496	0	33	-1.0	-51.85	305.69	5.59	-46.26
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979497	0	46	-1.0	-51.21	385.50	6.47	-44.74
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OC3CCCC3)C=C1)C2	REAL300010979498	0	44	-1.0	-51.97	367.38	6.35	-45.62
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979499	0	43	-1.0	-51.27	366.54	5.86	-45.41
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979500	0	40	-1.0	-51.26	346.43	5.17	-46.09
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979501	0	34	-1.0	-53.44	318.76	4.01	-49.43
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300010979502	0	34	-1.0	-53.21	328.52	4.28	-48.93
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979503	0	37	-1.0	-52.30	322.81	4.20	-48.10
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(C)C	REAL300010979504	0	43	-1.0	-51.99	362.58	5.75	-46.24
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010979505	0	37	-1.0	-52.09	318.04	4.37	-47.72
COCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979506	0	41	-1.0	-53.47	358.56	3.63	-49.84
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979507	0	41	-1.0	-57.84	364.03	3.82	-54.02
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N3CCOCC3)C=C1)C2	REAL300010979508	0	45	-1.0	-54.23	379.70	3.66	-50.57
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300010979509	0	33	-1.0	-51.19	311.76	5.59	-45.60
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979510	0	36	-1.0	-56.24	347.93	2.29	-53.95
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979511	0	36	-1.0	-53.64	335.02	6.19	-47.45
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=CN=C3C=C1)C2	REAL300010979512	0	35	-1.0	-55.44	314.47	4.53	-50.91
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979513	0	34	-1.0	-52.77	309.44	4.58	-48.19
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979514	0	34	-1.0	-52.28	309.31	5.45	-46.83
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979515	0	31	-1.0	-52.29	300.21	4.63	-47.66
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979516	0	34	-1.0	-51.73	331.26	5.49	-46.24
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300010979517	0	40	-1.0	-56.78	355.31	4.86	-51.92
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979518	0	39	-1.0	-52.77	344.06	5.35	-47.42
COC(=O)CCN(C)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979519	0	37	-1.0	-53.30	328.76	3.05	-50.25
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979520	0	40	-1.0	-60.30	344.73	-0.24	-60.54
CN(C1CCOCC1)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979521	0	39	-1.0	-50.89	319.05	2.21	-48.68
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(N3CCOC3=O)C=C1)C2	REAL300010979522	0	39	-1.0	-59.12	341.94	4.22	-54.90
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NN1C1=CC=CC=N1	REAL300010979523	0	39	-1.0	-56.77	347.86	5.51	-51.26
CCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979524	0	39	-1.0	-52.06	329.12	3.97	-48.09
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979525	0	39	-1.0	-55.22	338.42	5.14	-50.08
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979526	0	42	-1.0	-51.46	326.89	6.63	-44.83
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C3=CC=CC=C31)C2	REAL300010979527	0	43	-1.0	-57.34	378.07	7.13	-50.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979528	0	38	-1.0	-64.57	339.60	3.56	-61.01
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(C3=CC=CC=C3F)N=C1)C2	REAL300010979530	0	37	-1.0	-55.65	338.14	5.28	-50.37
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010979531	0	36	-1.0	-54.33	341.76	4.97	-49.36
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1Cl	REAL300010979532	0	34	-1.0	-52.04	331.07	4.58	-47.46
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=NN1C1=CC=C(Cl)C=C1	REAL300010979533	0	40	-1.0	-53.73	369.12	6.22	-47.51
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)O1	REAL300010979534	0	33	-1.0	-50.01	332.91	3.60	-46.41
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(Br)S1	REAL300010979535	0	30	-1.0	-50.74	304.57	4.75	-45.99
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1	REAL300010979536	0	34	-1.0	-55.68	317.65	2.51	-53.17
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979537	0	31	-1.0	-53.19	309.44	4.95	-48.24
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979538	0	38	-1.0	-55.07	324.93	7.09	-47.98
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979539	0	36	-1.0	-53.59	341.86	5.44	-48.15
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979540	0	39	-1.0	-58.74	349.67	2.59	-56.15
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=C1	REAL300010979541	0	34	-1.0	-51.91	319.77	6.12	-45.79
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300010979542	0	31	-1.0	-54.20	309.47	4.95	-49.25
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979543	0	46	-1.0	-55.22	384.53	5.86	-49.36
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(C(=O)NC3CC3)=CC=C1)C2	REAL300010979544	0	41	-1.0	-58.12	361.63	4.13	-53.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC3CC3)C=C1)C2	REAL300010979545	0	42	-1.0	-56.39	382.29	2.01	-54.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979546	0	38	-1.0	-55.80	350.18	0.31	-55.49
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979547	0	40	-1.0	-59.14	370.33	3.10	-56.04
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010979548	0	33	-1.0	-53.92	313.74	2.97	-50.95
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979549	0	36	-1.0	-53.04	332.09	3.63	-49.41
CC1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979550	0	32	-1.0	-51.46	300.08	2.47	-48.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300010979551	1	32	-1.0	-59.45	299.81	5.81	-53.64
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300010979552	0	33	-1.0	-53.58	330.44	5.88	-47.70
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)N1	REAL300010979553	0	43	-1.0	-52.05	366.48	4.75	-47.30
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C2	REAL300010979554	0	30	-1.0	-53.64	291.51	5.03	-48.61
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=CS1	REAL300010979555	0	36	-1.0	-52.88	353.31	4.73	-48.15
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC3CCCCC3)C=C1)C2	REAL300010979556	0	50	-1.0	-51.25	407.84	7.77	-43.48
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1)C2	REAL300010979557	0	40	-1.0	-56.27	370.54	3.73	-52.54
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C2	REAL300010979558	0	30	-1.0	-50.33	301.07	5.25	-45.08
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979559	0	39	-1.0	-57.01	343.68	5.71	-51.30
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C2	REAL300010979560	0	32	-1.0	-52.33	308.25	6.17	-46.16
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300010979561	0	38	-1.0	-52.15	338.23	3.46	-48.69
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300010979562	0	41	-1.0	-54.20	347.62	4.27	-49.93
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C2	REAL300010979563	1	32	-1.0	-50.27	322.47	6.85	-43.42
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)N=C3C=CC=CN31)C2	REAL300010979564	0	33	-1.0	-57.47	311.11	4.99	-52.48
N#CC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979565	0	31	-1.0	-51.91	298.63	4.54	-47.37
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979566	0	31	-1.0	-51.58	308.95	5.00	-46.58
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010979567	0	33	-1.0	-51.93	312.76	5.35	-46.58
COC(=O)CN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010979568	0	36	-1.0	-59.88	333.25	2.94	-56.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C3=CC=CC=C31)C2	REAL300010979569	0	36	-1.0	-51.71	329.26	6.95	-44.76
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C2	REAL300010979570	0	35	-1.0	-50.68	327.01	6.39	-44.29
CC1=C(Br)SC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979571	0	30	-1.0	-50.24	307.08	4.50	-45.74
N#CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979572	0	34	-1.0	-57.56	315.84	5.31	-52.25
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(F)=C1F	REAL300010979573	0	36	-1.0	-53.16	339.14	4.89	-48.27
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)N1CCC3(CCCCC3)CC1)C2	REAL300010979574	0	48	-1.0	-49.72	359.57	5.75	-43.97
CC1=NC2=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C2C=C1	REAL300010979575	0	38	-1.0	-57.51	335.86	5.41	-52.10
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(C3CCOCC3)N=C1)C2	REAL300010979576	0	41	-1.0	-52.66	351.05	2.72	-49.94
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300010979577	0	33	-1.0	-51.71	308.90	5.49	-46.22
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979578	0	36	-1.0	-56.28	333.07	5.39	-50.89
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(C3CCOC3)N=C1)C2	REAL300010979579	0	38	-1.0	-53.18	332.91	1.93	-51.25
COC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1[N+](=O)[O-]	REAL300010979580	0	36	-1.0	-53.25	329.05	4.89	-48.36
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979581	0	36	-1.0	-52.55	327.69	6.08	-46.47
COCCN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010979582	0	37	-1.0	-53.18	333.65	1.79	-51.39
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010979583	0	43	-1.0	-53.45	365.06	6.81	-46.64
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979584	0	40	-1.0	-52.57	345.62	5.56	-47.01
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(N3C=NN=N3)=C1)C2	REAL300010979585	0	35	-1.0	-64.79	321.61	4.32	-60.47
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(C3=CC=CC=C3)N=C1)C2	REAL300010979586	0	37	-1.0	-54.14	334.46	5.30	-48.84
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C2	REAL300010979587	0	32	-1.0	-55.42	317.64	5.28	-50.14
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979588	0	31	-1.0	-55.54	298.22	4.51	-51.03
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979589	0	44	-1.0	-53.50	380.41	4.59	-48.91
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979590	0	46	-1.0	-51.25	389.43	6.73	-44.52
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C2	REAL300010979591	0	32	-1.0	-58.43	308.64	6.35	-52.08
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010979592	0	36	-1.0	-54.89	332.56	4.83	-50.06
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)C=C1Cl	REAL300010979593	0	36	-1.0	-50.57	354.24	5.81	-44.76
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979594	0	40	-1.0	-57.84	357.31	4.60	-53.24
COC(=O)C1=CSC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979595	0	33	-1.0	-52.85	322.28	3.84	-49.01
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979596	0	42	-1.0	-56.63	360.79	6.26	-50.37
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300010979597	0	39	-1.0	-53.57	344.08	5.34	-48.23
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979598	0	36	-1.0	-54.14	334.27	4.90	-49.24
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=C1CCCC3)C2	REAL300010979599	0	40	-1.0	-51.54	330.14	6.86	-44.68
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C2	REAL300010979600	0	36	-1.0	-55.76	321.89	5.95	-49.81
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C2	REAL300010979601	0	29	-1.0	-50.25	290.00	2.94	-47.31
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C2	REAL300010979602	0	34	-1.0	-50.11	329.97	5.59	-44.52
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C2	REAL300010979603	0	30	-1.0	-51.26	300.25	4.82	-46.44
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3CCS(=O)(=O)C3=C1)C2	REAL300010979604	0	37	-1.0	-67.90	338.22	2.01	-65.89
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979605	0	33	-1.0	-50.74	307.86	5.49	-45.25
COC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010979606	0	34	-1.0	-50.91	323.16	4.12	-46.79
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010979607	0	41	-1.0	-52.70	351.03	5.40	-47.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979608	0	38	-1.0	-57.20	352.19	0.92	-56.28
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300010979609	0	47	-1.0	-58.87	404.17	3.32	-55.55
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979610	0	34	-1.0	-52.05	320.44	4.20	-47.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979611	0	39	-1.0	-58.56	355.75	2.57	-55.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3N=C(Cl)SC3=C1)C2	REAL300010979612	0	32	-1.0	-51.07	321.50	4.07	-47.00
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979613	0	35	-1.0	-56.72	327.64	5.16	-51.56
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979614	0	31	-1.0	-50.94	315.66	5.15	-45.79
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010979615	0	37	-1.0	-53.08	345.01	5.05	-48.03
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C3NC(=O)NC(=O)C3=C1)C2	REAL300010979616	0	35	-1.0	-53.36	324.24	-0.39	-53.75
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2S1	REAL300010979617	0	44	-1.0	-52.65	386.26	6.11	-46.54
COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979618	0	39	-1.0	-54.06	338.99	4.70	-49.36
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979619	0	35	-1.0	-53.00	330.73	4.30	-48.70
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3COCC3=C1)C2	REAL300010979620	0	35	-1.0	-51.60	309.51	3.45	-48.15
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300010979621	0	38	-1.0	-58.46	337.12	5.41	-53.05
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C2	REAL300010979622	0	36	-1.0	-61.71	317.03	0.60	-61.11
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979623	0	40	-1.0	-55.88	353.07	5.07	-50.81
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(N3C=NN=N3)C=C1)C2	REAL300010979624	0	35	-1.0	-56.83	321.53	4.33	-52.50
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010979625	0	40	-1.0	-51.78	339.90	5.30	-46.48
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979626	0	38	-1.0	-57.09	349.84	0.32	-56.77
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979627	0	39	-1.0	-56.09	346.32	5.94	-50.15
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C2	REAL300010979628	0	34	-1.0	-52.88	311.81	4.22	-48.66
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979629	0	34	-1.0	-52.08	313.78	5.15	-46.93
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979630	0	42	-1.0	-52.33	371.69	6.52	-45.81
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C2	REAL300010979631	0	36	-1.0	-55.90	336.00	5.86	-50.04
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979632	0	41	-1.0	-51.54	344.99	6.00	-45.54
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C2	REAL300010979633	0	29	-1.0	-50.30	298.88	3.35	-46.95
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=C1OCCO3)C2	REAL300010979634	0	36	-1.0	-53.06	316.65	3.84	-49.22
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=NC=CC=C31)C2	REAL300010979635	0	35	-1.0	-53.99	310.01	4.64	-49.35
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979636	0	33	-1.0	-51.74	310.26	5.69	-46.05
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)CCC3=C1)C2	REAL300010979637	0	38	-1.0	-54.22	333.06	3.34	-50.88
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979638	0	46	-1.0	-55.76	388.71	5.06	-50.70
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300010979639	0	44	-1.0	-53.48	375.68	5.19	-48.29
CN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)N(C)C1=O	REAL300010979640	0	36	-1.0	-57.77	321.29	3.02	-54.75
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979641	0	35	-1.0	-56.60	327.81	-0.91	-57.51
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(N3CCCC3=O)C=C1)C2	REAL300010979642	0	41	-1.0	-60.07	351.38	5.25	-54.82
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979643	0	44	-1.0	-60.30	366.21	5.74	-54.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979644	0	38	-1.0	-55.15	334.09	6.27	-48.88
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979645	0	36	-1.0	-52.68	328.34	4.80	-47.88
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979646	0	41	-1.0	-57.73	352.82	5.21	-52.52
CNC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979647	0	37	-1.0	-55.40	330.00	2.41	-52.99
NC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979648	0	34	-1.0	-55.42	308.08	0.91	-54.51
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2CC1C	REAL300010979649	0	44	-1.0	-55.04	368.29	5.73	-49.31
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CS1	REAL300010979650	0	33	-1.0	-54.30	312.86	4.56	-49.74
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979651	0	33	-1.0	-51.88	321.67	3.93	-47.95
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300010979652	0	34	-1.0	-52.70	329.87	5.33	-47.37
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979653	0	36	-1.0	-59.33	322.93	2.61	-56.72
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)C(=O)NC3=C1)C2	REAL300010979654	0	36	-1.0	-59.09	329.81	1.14	-57.95
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCC(=O)NC3=C1)C2	REAL300010979655	0	36	-1.0	-53.93	323.96	1.37	-52.56
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=C3NC(=O)COC3=C1)C2	REAL300010979656	0	36	-1.0	-52.83	337.88	2.00	-50.83
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2N=C1	REAL300010979657	0	38	-1.0	-56.02	335.33	5.46	-50.56
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=C1	REAL300010979658	0	36	-1.0	-54.63	320.99	4.95	-49.68
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979659	0	34	-1.0	-50.33	318.81	4.47	-45.86
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C2	REAL300010979660	0	34	-1.0	-50.73	318.52	4.46	-46.27
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979661	0	35	-1.0	-57.53	327.82	-0.89	-58.42
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979662	0	36	-1.0	-54.66	328.03	4.81	-49.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC3CC3)=C1)C2	REAL300010979663	0	42	-1.0	-56.80	382.29	2.01	-54.79
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010979664	0	35	-1.0	-56.87	325.44	5.54	-51.33
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300010979665	0	33	-1.0	-51.40	308.42	5.42	-45.98
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)NC(=O)C3=C1)C2	REAL300010979666	0	36	-1.0	-56.14	329.08	0.52	-55.62
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979667	0	36	-1.0	-59.78	334.30	1.67	-58.11
CN1C(=O)C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1=O	REAL300010979668	0	37	-1.0	-55.43	339.14	3.41	-52.02
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979669	0	38	-1.0	-53.05	338.23	5.65	-47.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)N1CCC3=CC=CC=C3C1)C2	REAL300010979670	0	39	-1.0	-51.94	330.05	5.43	-46.51
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CN=C12	REAL300010979671	0	38	-1.0	-54.01	330.13	5.47	-48.54
CN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979672	0	36	-1.0	-58.55	327.64	4.11	-54.44
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OC(=O)C=CC3=C1)C2	REAL300010979673	0	35	-1.0	-55.44	321.27	5.64	-49.80
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979674	0	38	-1.0	-55.09	330.08	6.84	-48.25
CCOC(=O)C1CCCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010979675	0	44	-1.0	-54.02	367.07	4.79	-49.23
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C2	REAL300010979676	0	34	-1.0	-50.26	319.28	3.94	-46.32
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979677	0	41	-1.0	-58.97	368.34	2.18	-56.79
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C2	REAL300010979678	0	30	-1.0	-49.57	293.40	4.82	-44.75
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C2	REAL300010979679	0	32	-1.0	-52.54	311.86	6.24	-46.30
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CNC(C(=O)N3CCCC3)=C1)C2	REAL300010979680	0	42	-1.0	-63.28	360.18	3.51	-59.77
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C2	REAL300010979681	0	40	-1.0	-54.59	345.34	7.79	-46.80
CC1CC(C)CN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010979682	0	41	-1.0	-50.43	328.03	4.61	-45.82
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979683	0	39	-1.0	-54.39	349.93	5.73	-48.66
CCOC(=O)N1CCC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979684	0	44	-1.0	-57.75	368.05	4.11	-53.64
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300010979685	0	30	-1.0	-50.40	290.32	4.65	-45.75
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C2	REAL300010979686	0	30	-1.0	-50.23	294.88	4.75	-45.48
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010979687	0	32	-1.0	-52.25	301.82	4.81	-47.44
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=CC=C3C=C1)C2	REAL300010979688	0	36	-1.0	-52.97	319.52	6.43	-46.54
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979689	0	37	-1.0	-56.98	329.92	3.03	-53.95
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979690	0	35	-1.0	-55.93	317.19	5.74	-50.19
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300010979691	0	32	-1.0	-56.42	291.52	5.65	-50.77
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979692	0	37	-1.0	-51.64	345.57	5.50	-46.14
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979693	0	37	-1.0	-51.60	324.93	4.36	-47.24
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C2	REAL300010979694	0	30	-1.0	-50.33	285.82	4.31	-46.02
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C2	REAL300010979695	0	30	-1.0	-49.94	286.42	4.29	-45.65
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCCOC3=C1)C2	REAL300010979696	0	36	-1.0	-53.52	318.04	3.30	-50.22
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010979697	0	39	-1.0	-50.47	320.87	6.39	-44.08
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979698	0	45	-1.0	-51.73	365.16	7.39	-44.34
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C2	REAL300010979699	0	30	-1.0	-50.84	305.17	5.13	-45.71
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C2	REAL300010979700	0	30	-1.0	-52.09	285.95	4.27	-47.82
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C2	REAL300010979701	0	30	-1.0	-49.58	303.95	5.28	-44.30
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C2	REAL300010979702	0	33	-1.0	-52.98	312.35	5.17	-47.81
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2	REAL300010979703	0	33	-1.0	-52.27	299.06	5.72	-46.55
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C2	REAL300010979704	0	33	-1.0	-51.86	325.17	5.57	-46.29
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C2	REAL300010979705	0	30	-1.0	-50.62	290.02	4.67	-45.95
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C2	REAL300010979706	0	33	-1.0	-50.73	326.51	5.77	-44.96
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979707	0	35	-1.0	-53.91	316.33	4.63	-49.28
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C2	REAL300010979708	0	30	-1.0	-51.31	295.84	4.72	-46.59
CC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979709	0	35	-1.0	-56.92	313.77	4.53	-52.39
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=CO1	REAL300010979710	0	39	-1.0	-55.59	349.97	3.19	-52.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C2	REAL300010979711	0	29	-1.0	-49.93	300.70	3.23	-46.70
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300010979712	0	33	-1.0	-55.11	303.96	4.56	-50.55
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979713	0	34	-1.0	-52.48	316.91	4.06	-48.42
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2S1	REAL300010979714	0	39	-1.0	-53.79	354.14	7.14	-46.65
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979715	0	39	-1.0	-57.19	350.52	5.59	-51.60
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1CC3=CC=CC=C3C1)C2	REAL300010979716	0	37	-1.0	-53.33	319.25	6.04	-47.29
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)C=C1	REAL300010979717	0	40	-1.0	-53.91	355.87	5.97	-47.94
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010979718	0	41	-1.0	-65.73	352.36	5.17	-60.56
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979719	0	31	-1.0	-54.59	307.72	4.87	-49.72
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979720	0	34	-1.0	-54.74	309.72	5.45	-49.29
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)N(C)C	REAL300010979721	0	44	-1.0	-58.88	375.08	3.89	-54.99
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC(Cl)=C2O1	REAL300010979722	0	38	-1.0	-51.15	347.20	5.25	-45.90
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1[N+](=O)[O-]	REAL300010979723	0	35	-1.0	-52.03	320.13	5.45	-46.58
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC([N+](=O)[O-])=C1C	REAL300010979724	0	44	-1.0	-50.50	388.42	6.76	-43.74
COC(=O)C1=COC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979725	0	33	-1.0	-54.80	314.12	2.92	-51.88
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010979726	0	41	-1.0	-58.77	361.94	4.93	-53.84
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C3C=CSC3=C1)C2	REAL300010979727	0	32	-1.0	-52.45	305.59	3.63	-48.82
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979728	0	40	-1.0	-60.15	340.88	4.40	-55.75
COC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=C1	REAL300010979729	0	31	-1.0	-55.62	294.18	2.34	-53.28
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300010979730	0	40	-1.0	-62.55	346.88	3.91	-58.64
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010979731	0	42	-1.0	-52.45	347.33	4.71	-47.74
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300010979732	0	32	-1.0	-51.85	304.26	3.37	-48.48
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)C=CC3=C1)C2	REAL300010979733	0	36	-1.0	-56.16	324.98	3.19	-52.97
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979734	0	39	-1.0	-51.38	347.22	5.81	-45.57
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C#N	REAL300010979735	0	34	-1.0	-54.92	311.48	4.98	-49.94
COC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1	REAL300010979736	0	38	-1.0	-53.93	332.60	2.75	-51.18
CN1C=NC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979737	0	36	-1.0	-57.46	321.79	5.47	-51.99
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CC	REAL300010979738	0	42	-1.0	-51.46	350.25	6.72	-44.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979739	0	38	-1.0	-49.91	327.67	6.39	-43.52
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)O1	REAL300010979740	0	36	-1.0	-55.08	333.49	3.70	-51.38
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979741	0	31	-1.0	-51.07	296.08	2.06	-49.01
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979742	0	32	-1.0	-53.82	306.58	3.02	-50.80
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1F	REAL300010979743	0	36	-1.0	-50.47	320.58	5.49	-44.98
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3CCNC(=O)C3=C1)C2	REAL300010979744	0	38	-1.0	-58.93	333.16	2.60	-56.33
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010979745	0	37	-1.0	-59.02	335.42	4.28	-54.74
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C2	REAL300010979746	0	30	-1.0	-49.25	296.68	4.73	-44.52
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C2	REAL300010979747	0	29	-1.0	-50.40	285.43	2.84	-47.56
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979748	0	41	-1.0	-52.88	356.02	5.96	-46.92
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C2	REAL300010979749	0	33	-1.0	-55.10	319.81	5.43	-49.67
CN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(N)=O	REAL300010979750	0	35	-1.0	-56.06	316.22	0.34	-55.72
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979751	0	33	-1.0	-50.36	305.30	5.57	-44.79
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979752	0	41	-1.0	-57.00	347.45	4.83	-52.17
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010979753	0	38	-1.0	-56.05	338.11	1.82	-54.23
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300010979754	0	40	-1.0	-51.02	328.92	5.03	-45.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=C3CCC(=O)NC3=C1)C2	REAL300010979755	0	38	-1.0	-55.32	347.23	3.95	-51.37
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979756	0	39	-1.0	-57.76	351.77	5.54	-52.22
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)CCCC3=C1)C2	REAL300010979757	0	41	-1.0	-54.08	348.75	4.28	-49.80
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979758	0	39	-1.0	-59.93	352.03	5.52	-54.41
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010979759	0	36	-1.0	-53.75	335.60	3.90	-49.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3C(=C1)CC1=CC=CC=C13)C2	REAL300010979760	0	41	-1.0	-53.14	357.74	8.26	-44.88
COC(=O)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979761	0	40	-1.0	-56.43	359.44	5.06	-51.37
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979762	0	43	-1.0	-55.29	380.40	5.21	-50.08
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979763	0	40	-1.0	-52.48	338.50	5.10	-47.38
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3COC(=O)C3=C1)C2	REAL300010979764	0	34	-1.0	-61.56	311.89	4.51	-57.05
CCOC(=O)CCCS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979765	0	38	-1.0	-59.15	335.87	4.37	-54.78
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C2	REAL300010979766	0	33	-1.0	-52.63	309.77	6.21	-46.42
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C2	REAL300010979767	0	32	-1.0	-52.09	312.82	6.28	-45.81
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979768	0	35	-1.0	-55.96	306.42	6.49	-49.47
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C2	REAL300010979769	0	32	-1.0	-50.09	318.58	5.60	-44.49
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C2	REAL300010979770	0	27	-1.0	-50.39	282.73	3.92	-46.47
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=C1COC3=O)C2	REAL300010979771	0	34	-1.0	-54.93	312.24	4.51	-50.42
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CN=C2C=C1	REAL300010979772	0	38	-1.0	-53.05	318.99	5.34	-47.71
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C2	REAL300010979773	0	32	-1.0	-56.04	308.67	3.51	-52.53
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=C3NC(=O)CCC3=C1)C2	REAL300010979774	0	38	-1.0	-53.82	338.81	3.45	-50.37
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=CN=CC=C31)C2	REAL300010979775	0	35	-1.0	-54.95	310.50	4.74	-50.21
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C2	REAL300010979776	0	29	-1.0	-49.03	303.71	3.50	-45.53
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C2	REAL300010979777	0	32	-1.0	-51.01	307.63	4.91	-46.10
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C2	REAL300010979778	0	32	-1.0	-52.32	317.93	5.27	-47.05
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979779	0	39	-1.0	-58.58	349.25	2.53	-56.05
CCN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=N1	REAL300010979780	0	35	-1.0	-57.03	324.19	5.04	-51.99
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300010979781	0	32	-1.0	-57.07	307.44	5.52	-51.55
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C2	REAL300010979782	0	32	-1.0	-52.26	308.17	4.88	-47.38
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300010979783	0	37	-1.0	-52.93	344.49	4.83	-48.10
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C2	REAL300010979784	0	32	-1.0	-52.37	316.42	6.35	-46.02
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C=C1)C2	REAL300010979785	0	44	-1.0	-52.83	384.84	7.41	-45.42
CC1(C)C2CCC1(CS(=O)(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C(=O)C2	REAL300010979786	0	45	-1.0	-57.99	350.10	6.60	-51.39
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979787	0	38	-1.0	-60.02	356.35	0.86	-59.16
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979788	0	38	-1.0	-57.07	336.36	5.42	-51.65
CCOC(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979789	0	43	-1.0	-54.77	359.54	2.93	-51.84
COC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=C(Cl)N=C2C=C1	REAL300010979790	0	39	-1.0	-53.85	353.26	5.42	-48.43
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(CC3=CC=CC=C3)N=C1)C2	REAL300010979791	0	40	-1.0	-53.92	359.87	5.75	-48.17
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979792	0	52	-1.0	-50.15	408.52	7.01	-43.14
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979793	0	38	-1.0	-58.14	350.82	0.77	-57.37
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010979794	0	36	-1.0	-58.22	338.30	1.69	-56.53
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1F	REAL300010979795	0	33	-1.0	-49.23	305.71	4.97	-44.26
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979796	0	37	-1.0	-52.11	341.84	5.16	-46.95
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979797	0	42	-1.0	-54.14	363.90	5.69	-48.45
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2F)N=C1	REAL300010979798	0	40	-1.0	-53.61	356.83	6.01	-47.60
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979799	0	37	-1.0	-52.45	349.98	4.02	-48.43
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979800	0	37	-1.0	-61.04	337.07	-1.09	-62.13
CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979801	0	33	-1.0	-50.37	306.32	4.95	-45.42
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010979802	0	35	-1.0	-51.62	331.36	5.96	-45.66
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC2=CC=C(F)C=C12	REAL300010979803	0	36	-1.0	-52.87	327.94	5.45	-47.42
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C2	REAL300010979804	0	27	-1.0	-47.61	301.52	4.45	-43.16
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=C(OC(F)F)C=C3CC1)C2	REAL300010979805	0	42	-1.0	-54.35	367.90	6.16	-48.19
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300010979806	0	30	-1.0	-52.88	285.85	4.30	-48.58
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C2	REAL300010979807	0	30	-1.0	-50.20	300.96	4.86	-45.34
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300010979808	0	36	-1.0	-50.90	327.70	5.68	-45.22
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300010979809	0	36	-1.0	-54.54	347.03	4.91	-49.63
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010979810	0	38	-1.0	-53.82	339.88	3.87	-49.95
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979811	0	37	-1.0	-55.15	342.20	4.75	-50.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C2	REAL300010979812	0	33	-1.0	-54.89	323.88	5.52	-49.37
CC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010979813	0	34	-1.0	-54.67	313.35	1.12	-53.55
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C2	REAL300010979814	0	39	-1.0	-53.58	355.11	6.98	-46.60
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C2	REAL300010979815	0	32	-1.0	-56.04	308.67	3.51	-52.53
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C2	REAL300010979816	0	32	-1.0	-52.66	318.92	5.60	-47.06
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979817	0	36	-1.0	-53.94	324.69	5.74	-48.20
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C2	REAL300010979818	0	33	-1.0	-53.77	310.86	5.31	-48.46
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(N3CCCS3(=O)=O)C=C1)C2	REAL300010979819	0	42	-1.0	-63.92	370.77	2.76	-61.16
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300010979820	0	37	-1.0	-54.34	342.96	4.67	-49.67
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C2	REAL300010979821	0	30	-1.0	-49.50	308.52	5.40	-44.10
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CN=C21	REAL300010979822	0	38	-1.0	-53.18	342.95	1.62	-51.56
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010979823	0	39	-1.0	-53.63	354.44	5.75	-47.88
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=C(C=C1[N+](=O)[O-])OCCO3)C2	REAL300010979824	0	38	-1.0	-54.54	336.11	4.81	-49.73
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC(Cl)=CC=C3S1)C2	REAL300010979825	0	33	-1.0	-50.92	329.75	6.10	-44.82
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC(Cl)=CC=C2S1	REAL300010979826	0	36	-1.0	-52.62	338.78	6.97	-45.65
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CSC3=CC=C(Cl)C=C13)C2	REAL300010979827	0	33	-1.0	-51.48	327.78	6.05	-45.43
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=CC3=CC=CC=C31)C2	REAL300010979828	0	36	-1.0	-53.24	318.92	6.99	-46.25
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC3=CC=C(Cl)C=C31)C2	REAL300010979829	0	36	-1.0	-54.25	331.92	7.02	-47.23
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010979830	0	44	-1.0	-55.92	387.05	6.38	-49.54
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979831	0	36	-1.0	-58.36	338.62	1.70	-56.66
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979832	0	43	-1.0	-56.91	379.80	5.69	-51.22
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C2	REAL300010979833	0	41	-1.0	-60.15	373.20	1.22	-58.93
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979834	1	31	-1.0	-52.28	300.70	4.77	-47.51
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1N(C)C	REAL300010979835	0	41	-1.0	-50.98	347.85	4.80	-46.18
CN1C(Cl)=NC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979836	0	30	-1.0	-51.78	289.92	3.09	-48.69
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979837	0	35	-1.0	-54.55	329.63	6.11	-48.44
CN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N=C1Cl	REAL300010979838	0	30	-1.0	-54.82	294.09	3.00	-51.82
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979839	0	33	-1.0	-59.82	317.01	4.89	-54.93
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979840	0	36	-1.0	-52.14	334.90	6.18	-45.96
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979841	0	42	-1.0	-52.01	350.39	4.61	-47.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCCC3=C1)C2	REAL300010979842	0	35	-1.0	-52.43	309.49	3.99	-48.44
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979843	0	36	-1.0	-59.38	334.28	1.68	-57.70
CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979844	0	44	-1.0	-54.54	367.48	4.88	-49.66
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979845	0	38	-1.0	-55.56	335.09	5.47	-50.09
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C3NC=CC=C13)C2	REAL300010979846	0	33	-1.0	-66.13	302.42	3.36	-62.77
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979847	0	40	-1.0	-56.64	349.97	3.86	-52.78
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C2	REAL300010979848	0	33	-1.0	-54.12	319.28	5.41	-48.71
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C2	REAL300010979849	0	31	-1.0	-57.99	288.38	4.84	-53.15
COC(=O)C1=CC=CC=C1CS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979850	0	39	-1.0	-56.97	342.11	5.93	-51.04
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C2	REAL300010979851	0	30	-1.0	-49.88	293.62	4.83	-45.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979852	0	49	-1.0	-57.91	406.54	7.34	-50.57
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300010979853	0	33	-1.0	-53.50	324.01	5.76	-47.74
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979854	0	37	-1.0	-55.19	349.17	3.74	-51.45
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010979855	0	38	-1.0	-52.12	330.63	4.76	-47.36
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979856	0	34	-1.0	-50.10	332.61	4.64	-45.46
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979857	0	42	-1.0	-57.07	361.59	3.16	-53.91
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300010979858	0	33	-1.0	-56.41	321.22	3.84	-52.57
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979859	0	39	-1.0	-53.98	357.33	6.67	-47.31
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300010979860	0	41	-1.0	-53.28	379.00	7.50	-45.78
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979861	0	39	-1.0	-53.49	338.88	5.49	-48.00
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C2	REAL300010979862	0	32	-1.0	-51.77	323.05	5.44	-46.33
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979863	0	34	-1.0	-48.83	327.50	4.84	-43.99
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979864	0	42	-1.0	-51.89	349.82	4.68	-47.21
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300010979865	0	32	-1.0	-53.52	301.51	4.82	-48.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=C1	REAL300010979866	0	44	-1.0	-52.33	383.68	7.65	-44.68
COC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979867	0	37	-1.0	-53.64	324.04	4.61	-49.03
N#CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979868	0	34	-1.0	-56.58	317.82	5.27	-51.31
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3NC(=O)OC3=C1)C2	REAL300010979869	0	33	-1.0	-57.36	305.26	1.65	-55.71
CN1C(=O)CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979870	0	38	-1.0	-54.51	336.40	4.57	-49.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C2	REAL300010979871	0	30	-1.0	-50.09	301.37	5.24	-44.85
COC(=O)C1CCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010979872	0	41	-1.0	-54.68	345.62	3.95	-50.73
COC1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979873	0	40	-1.0	-51.81	347.18	5.05	-46.76
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C(=O)OC)S1	REAL300010979874	0	39	-1.0	-55.01	369.49	5.38	-49.63
COCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979875	0	37	-1.0	-52.72	328.36	3.87	-48.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)N=C3SC=CN31)C2	REAL300010979876	0	30	-1.0	-55.98	303.68	4.18	-51.80
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC(C3=CC=CC=C3)=NO1)C2	REAL300010979877	0	39	-1.0	-58.40	352.24	6.00	-52.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300010979878	0	36	-1.0	-53.59	340.22	4.83	-48.76
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300010979879	0	36	-1.0	-54.25	357.35	5.36	-48.89
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C2	REAL300010979880	0	33	-1.0	-54.91	312.15	2.34	-52.57
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2O1	REAL300010979881	0	35	-1.0	-54.53	317.17	1.80	-52.73
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979882	0	42	-1.0	-50.25	330.75	7.41	-42.84
CC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979884	0	30	-1.0	-50.85	306.18	4.43	-46.42
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=C(Cl)N=C3C=C1F)C2	REAL300010979885	0	35	-1.0	-53.73	337.52	5.04	-48.69
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010979886	0	39	-1.0	-54.27	335.64	6.07	-48.20
CC1=C(Br)SC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010979887	1	29	-1.0	-49.11	302.20	2.41	-46.70
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979888	0	35	-1.0	-55.27	321.69	5.76	-49.51
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=NC=C(Cl)N=C3C=C1)C2	REAL300010979889	0	34	-1.0	-52.68	326.20	3.01	-49.67
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C2	REAL300010979890	0	35	-1.0	-58.01	318.02	6.04	-51.97
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300010979891	0	38	-1.0	-58.37	337.98	6.05	-52.32
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010979892	0	38	-1.0	-58.36	347.00	6.33	-52.03
CC1=NN2C=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=NC2=C1Cl	REAL300010979893	0	35	-1.0	-53.84	330.59	3.93	-49.91
CCCCCCN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300010979894	0	48	-1.0	-57.61	410.63	4.88	-52.73
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C2	REAL300010979896	0	33	-1.0	-55.90	307.58	4.94	-50.96
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N[C@H]4C[C@@]5(C(=O)[O-])C[C@@H]45)C=CC1=C23	REAL300010979897	0	41	-1.0	-55.95	360.00	6.10	-49.85
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979898	0	34	-1.0	-57.11	323.47	5.28	-51.83
CC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC([N+](=O)[O-])=C1F	REAL300010979899	0	35	-1.0	-51.86	326.59	5.48	-46.38
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979900	0	36	-1.0	-52.32	324.58	5.74	-46.58
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N3CCCC3)C(F)=C1)C2	REAL300010979901	0	44	-1.0	-57.19	379.40	5.34	-51.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C3NC=CC(Cl)=C13)C2	REAL300010979902	0	33	-1.0	-65.93	311.49	4.03	-61.90
CC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979903	0	33	-1.0	-51.02	312.39	5.56	-45.46
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979904	0	33	-1.0	-51.38	308.86	5.43	-45.95
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C2	REAL300010979905	0	33	-1.0	-55.22	308.99	4.97	-50.25
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979906	0	41	-1.0	-56.31	373.65	1.82	-54.49
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300010979907	0	29	-1.0	-52.40	288.44	3.47	-48.93
COC(=O)C1=NC=CC2=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C21	REAL300010979908	0	41	-1.0	-54.01	360.92	5.20	-48.81
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C2	REAL300010979909	0	33	-1.0	-53.12	330.70	5.93	-47.19
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979910	0	38	-1.0	-61.71	357.73	2.48	-59.23
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300010979911	0	30	-1.0	-48.34	301.90	5.52	-42.82
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300010979912	0	29	-1.0	-48.27	299.16	3.38	-44.89
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010979913	0	35	-1.0	-53.48	324.32	2.97	-50.51
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)S1	REAL300010979914	0	33	-1.0	-57.68	342.77	1.30	-56.38
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300010979915	0	38	-1.0	-52.12	326.95	4.79	-47.33
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979916	0	40	-1.0	-52.04	342.86	5.00	-47.04
CC1=C(C)SC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979917	0	33	-1.0	-51.48	307.82	4.59	-46.89
COCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979918	0	37	-1.0	-52.83	328.64	3.87	-48.96
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979919	0	39	-1.0	-60.35	363.44	4.08	-56.27
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C2	REAL300010979920	0	41	-1.0	-52.83	348.15	10.96	-41.87
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010979921	0	33	-1.0	-51.14	305.97	5.34	-45.80
CC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010979922	0	35	-1.0	-52.36	329.99	5.17	-47.19
CN1C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)NCC(F)(F)F	REAL300010979923	0	41	-1.0	-54.84	379.22	3.12	-51.72
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300010979924	0	43	-1.0	-53.74	371.62	6.79	-46.95
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979925	0	34	-1.0	-58.33	332.37	5.60	-52.73
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C2	REAL300010979926	0	39	-1.0	-59.23	340.44	7.93	-51.30
CC1(C)CN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCO1	REAL300010979927	0	39	-1.0	-50.47	319.43	2.33	-48.14
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300010979928	0	33	-1.0	-53.83	299.30	2.82	-51.01
CC1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C2C=C1	REAL300010979929	0	38	-1.0	-59.33	327.70	5.98	-53.35
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O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN3CCCCC3=N1)C2	REAL300010979941	0	37	-1.0	-58.86	319.67	4.21	-54.65
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O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1CCCN(C(=O)C3CCCC3)C1)C2	REAL300010979943	0	50	-1.0	-60.00	393.32	5.77	-54.23
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CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010979946	0	36	-1.0	-51.73	322.62	1.76	-49.97
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300010979947	0	32	-1.0	-50.99	309.10	3.45	-47.54
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300010979948	1	32	-1.0	-53.99	314.35	1.94	-52.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979949	0	36	-1.0	-52.08	334.72	4.87	-47.21
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010981001	0	37	-1.0	-57.43	335.95	1.22	-56.21
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010981002	0	38	-1.0	-48.83	340.87	2.95	-45.88
CC(CCC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010981003	0	39	-1.0	-52.89	340.97	5.35	-47.54
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CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981008	0	39	-1.0	-55.25	328.69	6.43	-48.82
CCOC(=O)C1CCCN(S(=O)(=O)NC(C)CCC(=O)[O-])C1	REAL300010981009	0	45	-1.0	-48.64	358.77	4.01	-44.63
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010981010	0	35	-1.0	-49.30	319.27	3.42	-45.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010981011	0	42	-1.0	-55.35	368.84	1.62	-53.73
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010981012	0	31	-1.0	-46.69	292.81	4.29	-42.40
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010981013	0	33	-1.0	-53.79	307.78	5.57	-48.22
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010981014	0	43	-1.0	-53.97	362.06	3.06	-50.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010981015	0	41	-1.0	-49.92	337.46	7.46	-42.46
CCOC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981016	0	40	-1.0	-54.47	349.92	5.20	-49.27
CCOC(=O)N1CCC(S(=O)(=O)NC(C)CCC(=O)[O-])CC1	REAL300010981017	0	45	-1.0	-52.22	364.26	3.43	-48.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010981018	0	31	-1.0	-45.91	296.60	4.32	-41.59
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010981019	0	33	-1.0	-48.05	303.49	4.37	-43.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010981020	0	37	-1.0	-51.52	319.19	5.91	-45.61
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981021	0	38	-1.0	-54.06	331.36	2.59	-51.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981022	0	36	-1.0	-45.44	315.40	5.19	-40.25
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010981023	0	33	-1.0	-56.42	289.77	5.18	-51.24
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981024	0	38	-1.0	-52.48	345.83	4.99	-47.49
CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981025	0	38	-1.0	-48.18	326.61	3.92	-44.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010981026	0	37	-1.0	-50.66	319.77	2.85	-47.81
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981027	0	46	-1.0	-45.87	363.37	6.84	-39.03
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010981028	0	31	-1.0	-48.29	305.13	4.60	-43.69
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010981029	0	31	-1.0	-45.24	302.69	4.72	-40.52
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010981030	0	34	-1.0	-50.49	312.32	4.64	-45.85
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010981031	0	34	-1.0	-53.08	297.98	5.15	-47.93
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010981032	0	34	-1.0	-48.75	325.14	5.04	-43.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010981033	0	34	-1.0	-45.02	325.48	5.22	-39.80
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010981034	0	31	-1.0	-48.52	295.81	4.19	-44.33
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2)=CO1	REAL300010981035	0	40	-1.0	-53.87	351.65	2.77	-51.10
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010981036	0	30	-1.0	-47.19	300.38	2.70	-44.49
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981037	0	35	-1.0	-47.84	315.44	3.51	-44.33
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC=C2S1	REAL300010981038	0	40	-1.0	-49.58	359.20	6.38	-43.20
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CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C21	REAL300010981041	0	42	-1.0	-63.89	353.80	4.75	-59.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010981042	0	32	-1.0	-55.88	310.86	4.46	-51.42
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(=O)N(C)C	REAL300010981043	0	45	-1.0	-55.32	377.56	3.12	-52.20
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010981044	0	39	-1.0	-47.12	349.06	4.81	-42.31
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010981045	0	36	-1.0	-49.37	317.43	4.80	-44.57
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010981046	0	45	-1.0	-47.13	390.20	6.30	-40.83
COC(=O)C1=COC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981047	0	34	-1.0	-52.03	316.37	2.49	-49.54
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=N1	REAL300010981048	0	42	-1.0	-54.15	363.83	4.47	-49.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010981049	0	33	-1.0	-49.09	307.31	3.16	-45.93
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981050	0	41	-1.0	-56.83	342.86	3.94	-52.89
CC(=O)NC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1C	REAL300010981051	0	41	-1.0	-59.78	346.82	3.37	-56.41
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010981052	0	43	-1.0	-51.69	347.44	4.17	-47.52
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN=C1Cl	REAL300010981053	0	33	-1.0	-48.53	306.00	2.92	-45.61
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010981054	0	37	-1.0	-54.05	324.62	2.67	-51.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010981055	0	40	-1.0	-50.24	346.13	5.29	-44.95
COC1=CC(OC)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981056	0	39	-1.0	-49.79	334.27	2.30	-47.49
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010981057	0	37	-1.0	-56.88	321.54	4.97	-51.91
CCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1CC	REAL300010981058	0	43	-1.0	-50.54	350.28	6.19	-44.35
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981059	0	39	-1.0	-47.59	329.28	5.90	-41.69
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C)O1	REAL300010981060	0	37	-1.0	-47.24	332.26	3.18	-44.06
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010981061	0	32	-1.0	-50.36	299.51	1.63	-48.73
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981062	0	33	-1.0	-54.39	306.78	2.47	-51.92
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC(C)=C1F	REAL300010981063	0	37	-1.0	-48.72	320.32	4.96	-43.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010981064	0	39	-1.0	-59.94	332.88	2.09	-57.85
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN1C	REAL300010981065	0	38	-1.0	-56.07	334.52	3.74	-52.33
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010981066	0	31	-1.0	-45.33	298.43	4.27	-41.06
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981067	0	42	-1.0	-51.26	357.70	5.53	-45.73
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010981068	0	34	-1.0	-47.73	321.14	4.98	-42.75
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010981069	0	36	-1.0	-54.28	315.36	-0.20	-54.48
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981070	0	34	-1.0	-44.87	304.08	5.02	-39.85
CCOC(=O)C1CCCN1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981071	0	42	-1.0	-50.37	349.46	4.40	-45.97
CNC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN1C	REAL300010981072	0	39	-1.0	-54.24	337.30	1.29	-52.95
COC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1	REAL300010981073	0	41	-1.0	-49.77	329.37	4.41	-45.36
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010981074	0	39	-1.0	-49.60	346.27	3.41	-46.19
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981075	0	40	-1.0	-56.96	351.07	4.99	-51.97
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010981076	0	42	-1.0	-50.49	350.79	3.83	-46.66
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981077	0	40	-1.0	-52.27	353.37	5.07	-47.20
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])O1	REAL300010981078	0	37	-1.0	-50.65	335.70	3.43	-47.22
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010981079	0	42	-1.0	-49.92	359.49	7.81	-42.11
COC(=O)COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981080	0	41	-1.0	-51.73	361.09	4.62	-47.11
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981081	0	44	-1.0	-51.19	382.04	4.77	-46.42
COC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981082	0	41	-1.0	-46.50	336.86	4.56	-41.94
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010981083	0	35	-1.0	-56.89	313.61	4.06	-52.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010981084	0	34	-1.0	-53.61	310.60	5.72	-47.89
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010981085	0	33	-1.0	-52.55	312.34	5.67	-46.88
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981086	0	36	-1.0	-57.85	306.98	5.94	-51.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010981087	0	33	-1.0	-47.74	317.44	5.02	-42.72
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300010981088	0	28	-1.0	-44.31	275.56	2.67	-41.64
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010981089	0	35	-1.0	-52.78	309.63	4.00	-48.78
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300010981090	0	39	-1.0	-50.92	318.31	4.75	-46.17
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010981091	0	33	-1.0	-55.83	307.97	2.96	-52.87
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010981092	0	39	-1.0	-54.26	327.79	2.50	-51.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010981093	0	36	-1.0	-52.47	309.71	4.19	-48.28
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010981094	0	30	-1.0	-46.92	303.15	2.96	-43.96
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010981095	0	33	-1.0	-49.40	309.33	4.46	-44.94
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010981096	0	33	-1.0	-49.09	317.67	4.75	-44.34
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981097	0	40	-1.0	-54.22	354.03	2.32	-51.90
CCN1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010981098	0	36	-1.0	-56.60	327.43	4.63	-51.97
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010981099	0	33	-1.0	-57.73	308.14	5.01	-52.72
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010981100	0	33	-1.0	-47.90	309.91	4.44	-43.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010981101	0	38	-1.0	-49.44	346.18	4.38	-45.06
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010981102	0	33	-1.0	-53.50	312.36	5.67	-47.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300010981103	0	45	-1.0	-49.44	386.52	6.97	-42.47
CC(CCC(=O)[O-])NS(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010981104	0	46	-1.0	-59.85	351.42	5.97	-53.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300010981105	0	39	-1.0	-53.10	354.40	0.47	-52.63
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981106	0	39	-1.0	-57.82	336.36	4.89	-52.93
CCOC(=O)N1CCN(S(=O)(=O)NC(C)CCC(=O)[O-])CC1	REAL300010981107	0	44	-1.0	-50.86	352.00	2.16	-48.70
COC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300010981108	0	40	-1.0	-51.36	355.55	4.98	-46.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010981109	0	41	-1.0	-52.49	361.98	5.27	-47.22
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981110	0	53	-1.0	-45.86	409.29	6.54	-39.32
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981111	0	37	-1.0	-56.10	348.58	5.15	-50.95
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300010981112	0	39	-1.0	-55.55	352.33	0.32	-55.23
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300010981113	0	37	-1.0	-58.04	338.31	1.16	-56.88
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(F)C=C1F	REAL300010981114	0	34	-1.0	-49.00	306.70	4.41	-44.59
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981115	0	38	-1.0	-52.64	342.23	4.64	-48.00
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C21	REAL300010981116	0	43	-1.0	-50.72	365.95	5.22	-45.50
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2F)N=C1	REAL300010981117	0	41	-1.0	-51.07	356.80	5.48	-45.59
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981118	0	38	-1.0	-47.86	341.07	2.20	-45.66
CCS(=O)(=O)NCCS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981119	0	38	-1.0	-60.34	336.35	-1.65	-61.99
CC1=CC(F)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981120	0	34	-1.0	-50.46	306.70	4.42	-46.04
CC1=CC(Cl)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981121	0	36	-1.0	-51.70	331.62	5.42	-46.28
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300010981122	0	37	-1.0	-47.81	330.24	5.02	-42.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010981123	0	28	-1.0	-43.61	300.99	3.91	-39.70
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300010981124	0	43	-1.0	-53.13	368.37	5.66	-47.47
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010981125	0	31	-1.0	-50.47	289.40	3.94	-46.53
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010981126	0	37	-1.0	-50.57	327.64	5.14	-45.43
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010981127	0	37	-1.0	-53.46	344.35	4.70	-48.76
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C12	REAL300010981128	0	39	-1.0	-51.57	339.59	3.35	-48.22
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981129	0	38	-1.0	-54.74	341.15	4.22	-50.52
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300010981130	0	34	-1.0	-54.22	322.87	4.99	-49.23
CC1=NOC2=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C12	REAL300010981131	0	35	-1.0	-52.12	313.03	0.60	-51.52
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010981132	0	40	-1.0	-47.68	356.82	6.55	-41.13
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010981133	0	33	-1.0	-55.83	307.97	2.96	-52.87
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300010981134	0	33	-1.0	-53.55	322.07	5.17	-48.38
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981135	0	37	-1.0	-48.06	322.11	5.17	-42.89
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300010981136	0	34	-1.0	-53.85	309.83	4.76	-49.09
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300010981137	0	43	-1.0	-58.81	371.88	2.20	-56.61
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300010981138	0	38	-1.0	-54.15	342.26	4.11	-50.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010981139	0	31	-1.0	-45.17	307.26	4.83	-40.34
COC1=CC(OC)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Br	REAL300010981140	0	39	-1.0	-53.30	352.63	3.44	-49.86
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010981141	0	39	-1.0	-51.25	342.94	1.00	-50.25
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1F	REAL300010981142	0	40	-1.0	-51.72	354.40	5.22	-46.50
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010981143	0	39	-1.0	-54.41	334.23	4.35	-50.06
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010981144	0	34	-1.0	-46.57	331.46	5.67	-40.90
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300010981145	0	37	-1.0	-45.55	343.93	6.63	-38.92
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010981146	0	34	-1.0	-51.95	330.76	5.62	-46.33
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010981147	0	37	-1.0	-53.06	318.77	6.39	-46.67
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010981148	0	37	-1.0	-54.38	331.99	6.52	-47.86
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C2O1	REAL300010981149	0	45	-1.0	-54.08	386.76	5.86	-48.22
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010981150	0	37	-1.0	-55.97	338.34	1.17	-54.80
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300010981151	0	44	-1.0	-54.87	382.67	5.26	-49.61
CC(CCC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300010981152	0	42	-1.0	-54.74	374.80	0.77	-53.97
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010981153	1	32	-1.0	-51.70	302.11	4.28	-47.42
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1N(C)C	REAL300010981154	0	42	-1.0	-50.43	347.87	4.27	-46.16
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981155	0	36	-1.0	-51.86	329.37	5.56	-46.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010981156	0	34	-1.0	-60.18	320.11	4.47	-55.71
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981157	0	37	-1.0	-48.95	332.30	5.61	-43.34
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981158	0	43	-1.0	-50.49	348.05	4.15	-46.34
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010981159	0	37	-1.0	-58.14	333.97	1.14	-57.00
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300010981160	0	47	-1.0	-50.26	394.96	1.35	-48.91
CCOC(=O)C1CCN(S(=O)(=O)NC(C)CCC(=O)[O-])CC1	REAL300010981161	0	45	-1.0	-48.54	369.77	4.44	-44.10
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981162	0	39	-1.0	-56.99	322.69	5.44	-51.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300010981163	0	46	-1.0	-55.86	395.20	2.76	-53.10
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981164	0	41	-1.0	-53.78	351.94	3.40	-50.38
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300010981165	0	34	-1.0	-54.09	318.30	4.87	-49.22
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010981166	0	32	-1.0	-60.94	285.35	4.48	-56.46
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981167	0	40	-1.0	-57.57	341.06	5.40	-52.17
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010981168	0	31	-1.0	-45.41	292.37	4.27	-41.14
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981169	0	50	-1.0	-59.80	405.03	7.00	-52.80
CC(CCC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300010981170	0	34	-1.0	-53.15	323.17	5.22	-47.93
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981171	0	38	-1.0	-53.68	350.41	3.30	-50.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300010981172	0	39	-1.0	-48.64	332.29	4.31	-44.33
COC1=CC(Cl)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981173	0	35	-1.0	-45.55	331.95	4.08	-41.47
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981174	0	43	-1.0	-46.66	360.20	2.62	-44.04
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CS1	REAL300010981175	0	34	-1.0	-53.38	320.50	3.31	-50.07
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981176	0	40	-1.0	-47.53	354.35	6.11	-41.42
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300010981177	0	42	-1.0	-48.96	380.71	7.05	-41.91
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1C	REAL300010981178	0	40	-1.0	-52.82	338.90	5.08	-47.74
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300010981179	0	33	-1.0	-47.53	324.81	4.98	-42.55
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981180	0	35	-1.0	-47.47	330.52	4.30	-43.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981181	0	43	-1.0	-51.14	348.44	4.04	-47.10
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010981182	0	33	-1.0	-53.09	301.44	4.29	-48.80
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2)=C1	REAL300010981183	0	45	-1.0	-49.40	385.40	7.22	-42.18
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981184	0	38	-1.0	-53.72	311.27	4.16	-49.56
CC(CCC(=O)[O-])NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1	REAL300010981185	0	45	-1.0	-53.25	401.40	2.67	-50.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010981186	0	34	-1.0	-54.16	305.01	1.12	-53.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300010981187	0	39	-1.0	-50.39	338.09	4.12	-46.27
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010981188	0	31	-1.0	-45.67	303.08	4.80	-40.87
COC(=O)C1CCN(S(=O)(=O)NC(C)CCC(=O)[O-])CC1	REAL300010981189	0	42	-1.0	-55.59	337.00	3.12	-52.47
COC1=C(C)C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981190	0	41	-1.0	-50.03	346.88	4.51	-45.52
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C(=O)OC)S1	REAL300010981191	0	40	-1.0	-55.31	369.47	4.87	-50.44
COCC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981192	0	38	-1.0	-52.25	328.34	3.34	-48.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010981193	0	31	-1.0	-52.49	304.62	3.63	-48.86
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1	REAL300010981194	0	40	-1.0	-53.14	353.51	5.56	-47.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010981195	0	37	-1.0	-53.07	339.70	4.29	-48.78
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300010981196	0	37	-1.0	-53.15	354.65	5.15	-48.00
CC(CCC(=O)[O-])NS(=O)(=O)CCOCC(F)(F)F	REAL300010981197	0	34	-1.0	-50.04	313.73	1.90	-48.14
CC1=NC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2O1	REAL300010981198	0	36	-1.0	-52.33	316.86	1.29	-51.04
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981199	0	43	-1.0	-49.23	331.53	6.80	-42.43
CC1=CC(Br)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981201	0	31	-1.0	-44.43	297.45	3.48	-40.95
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300010981202	0	36	-1.0	-53.08	325.71	4.12	-48.96
CC1=C(Br)SC(S(=O)(=O)NC(C)CCC(=O)[O-])=N1	REAL300010981203	1	30	-1.0	-48.21	301.43	1.84	-46.37
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981204	0	36	-1.0	-52.41	321.42	5.22	-47.19
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010981205	0	35	-1.0	-50.37	325.97	2.49	-47.88
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300010981206	0	36	-1.0	-59.79	314.04	5.41	-54.38
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300010981207	0	39	-1.0	-59.94	337.42	5.51	-54.43
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010981208	0	39	-1.0	-52.12	348.26	5.88	-46.24
CC1=NN2C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=NC2=C1Cl	REAL300010981209	0	36	-1.0	-50.68	329.87	3.26	-47.42
CCCCCCN1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(=O)NC1=O	REAL300010981210	0	49	-1.0	-57.05	400.67	4.07	-52.98
CC(CCC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300010981212	0	34	-1.0	-55.75	306.89	4.39	-51.36
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010981213	0	42	-1.0	-53.88	360.27	5.57	-48.31
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300010981214	0	35	-1.0	-56.85	322.43	4.73	-52.12
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010981215	0	36	-1.0	-51.70	328.28	5.02	-46.68
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981216	0	37	-1.0	-49.21	321.95	5.16	-44.05
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(OC)=C1	REAL300010981217	0	46	-1.0	-49.45	402.03	1.10	-48.35
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981218	1	46	-1.0	-55.54	392.86	0.83	-54.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981219	0	45	-1.0	-54.01	395.13	2.07	-51.94
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300010981220	0	45	-1.0	-56.51	379.09	4.82	-51.69
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010981221	0	34	-1.0	-64.73	311.93	3.54	-61.19
CC1=CC=C(Br)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981222	0	34	-1.0	-51.03	312.22	5.06	-45.97
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981223	0	34	-1.0	-48.00	308.15	4.88	-43.12
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300010981224	0	34	-1.0	-54.59	307.98	4.42	-50.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981225	0	42	-1.0	-54.24	373.63	1.29	-52.95
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010981226	0	30	-1.0	-46.32	290.75	3.03	-43.29
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=CC=C12	REAL300010981227	0	42	-1.0	-51.46	360.90	4.67	-46.79
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300010981228	0	34	-1.0	-52.40	329.71	5.40	-47.00
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010981229	0	39	-1.0	-65.59	357.99	1.95	-63.64
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010981230	0	31	-1.0	-43.69	305.42	5.11	-38.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010981231	0	30	-1.0	-47.40	299.78	2.84	-44.56
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=N1	REAL300010981232	0	36	-1.0	-50.77	324.01	2.42	-48.35
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300010981233	0	34	-1.0	-53.29	342.39	0.79	-52.50
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300010981234	0	50	-1.0	-58.11	427.95	4.62	-53.49
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300010981235	0	39	-1.0	-49.27	328.99	4.33	-44.94
CC(C)OC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981236	0	41	-1.0	-47.77	344.56	4.55	-43.22
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981237	0	45	-1.0	-58.10	408.42	1.27	-56.83
COCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981238	0	38	-1.0	-47.67	330.33	3.43	-44.24
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300010981239	0	40	-1.0	-56.20	358.45	3.26	-52.94
CC(CCC(=O)[O-])NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300010981240	0	42	-1.0	-48.00	351.67	10.66	-37.34
CC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1Cl	REAL300010981241	0	34	-1.0	-51.64	306.21	4.81	-46.83
CC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1Br	REAL300010981242	0	36	-1.0	-50.49	332.27	4.73	-45.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300010981243	0	42	-1.0	-53.71	378.11	2.59	-51.12
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2)CC1	REAL300010981244	0	44	-1.0	-53.07	371.61	6.25	-46.82
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300010981245	0	35	-1.0	-55.92	331.27	5.06	-50.86
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300010981246	0	40	-1.0	-60.11	340.88	7.49	-52.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010981247	0	34	-1.0	-50.46	301.30	2.36	-48.10
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010981248	0	39	-1.0	-54.52	324.16	5.27	-49.25
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010981249	0	37	-1.0	-56.91	323.09	5.10	-51.81
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010981250	0	44	-1.0	-59.17	367.64	5.03	-54.14
CC(CCC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300010981251	0	43	-1.0	-54.87	346.18	0.58	-54.29
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010981252	0	37	-1.0	-49.66	341.88	1.71	-47.95
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981253	0	40	-1.0	-47.44	358.33	5.34	-42.10
COCC1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981254	0	38	-1.0	-47.94	318.09	3.72	-44.22
CCC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C(C(=O)OC)O1	REAL300010981255	0	40	-1.0	-46.84	352.84	3.95	-42.89
CC(CCC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300010981256	0	48	-1.0	-57.54	386.46	5.39	-52.15
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981257	0	44	-1.0	-50.72	385.76	5.28	-45.44
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010981258	0	32	-1.0	-48.27	307.20	4.62	-43.65
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981259	0	35	-1.0	-44.46	330.39	4.25	-40.21
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300010981260	0	38	-1.0	-57.46	320.56	3.98	-53.48
CC(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300010981261	0	36	-1.0	-54.71	321.90	3.76	-50.95
CC(CCC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300010981262	0	51	-1.0	-53.92	392.88	5.26	-48.66
CC(CCC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300010981263	0	45	-1.0	-48.66	368.27	3.95	-44.71
CC(CCC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300010981264	0	42	-1.0	-50.61	373.88	4.47	-46.14
CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=N1	REAL300010981265	0	37	-1.0	-49.51	322.31	1.25	-48.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010981266	0	33	-1.0	-49.43	307.97	2.82	-46.61
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])SC=N1	REAL300010981267	1	33	-1.0	-54.40	314.00	1.43	-52.97
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981268	0	37	-1.0	-47.68	336.47	4.42	-43.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010982001	0	38	-1.0	-51.88	348.11	4.67	-47.21
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010982002	0	44	-1.0	-53.68	363.59	5.64	-48.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010982003	1	36	-1.0	-54.48	322.36	2.76	-51.72
CCC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010982004	0	37	-1.0	-54.93	333.80	6.61	-48.32
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010982005	0	31	-1.0	-50.86	298.08	4.41	-46.45
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010982006	0	31	-1.0	-54.04	290.87	4.44	-49.60
CCC[C@@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300010982007	0	43	-1.0	-53.31	337.71	6.38	-46.93
CCC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010982008	0	40	-1.0	-55.67	342.64	4.23	-51.44
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982009	0	37	-1.0	-61.51	317.64	5.17	-56.34
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010982010	0	40	-1.0	-52.89	353.38	5.37	-47.52
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010982011	0	31	-1.0	-41.88	301.93	4.77	-37.11
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982012	0	37	-1.0	-51.80	332.27	4.53	-47.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010982013	0	43	-1.0	-53.33	352.97	6.11	-47.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300010982014	0	43	-1.0	-53.54	355.66	6.36	-47.18
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010982015	0	48	-1.0	-54.78	413.50	3.50	-51.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010982016	0	42	-1.0	-55.48	372.59	1.77	-53.71
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010982017	0	35	-1.0	-55.85	312.80	0.58	-55.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010982018	0	41	-1.0	-56.97	358.93	2.81	-54.16
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010982019	0	33	-1.0	-47.04	316.45	4.97	-42.07
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010982020	0	31	-1.0	-55.80	296.92	4.99	-50.81
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010982021	0	31	-1.0	-49.14	309.51	4.92	-44.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010982022	0	35	-1.0	-51.08	326.90	3.73	-47.35
CCC[C@@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010982023	0	42	-1.0	-53.14	362.21	2.49	-50.65
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010982024	0	31	-1.0	-43.66	295.93	4.03	-39.63
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010982025	0	31	-1.0	-48.99	310.49	4.79	-44.20
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982026	0	37	-1.0	-48.52	354.83	5.79	-42.73
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982027	0	43	-1.0	-56.77	386.28	5.08	-51.69
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982028	0	43	-1.0	-65.04	372.05	5.83	-59.21
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010982029	0	31	-1.0	-50.01	299.38	4.38	-45.63
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010982030	0	34	-1.0	-53.45	311.14	5.10	-48.35
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010982031	0	34	-1.0	-50.50	316.25	4.97	-45.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010982032	0	42	-1.0	-67.64	361.86	2.07	-65.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982033	0	35	-1.0	-51.03	322.96	3.56	-47.47
CCC[C@@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010982034	0	46	-1.0	-55.31	351.83	6.95	-48.36
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010982035	0	40	-1.0	-55.76	339.81	3.70	-52.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982036	0	36	-1.0	-59.14	320.95	4.98	-54.16
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010982037	0	28	-1.0	-51.07	291.14	3.54	-47.53
CCC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl)C(=O)[O-]	REAL300010982038	0	37	-1.0	-51.90	333.32	6.17	-45.73
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010982039	0	35	-1.0	-43.91	327.45	4.22	-39.69
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300010982040	0	49	-1.0	-52.48	380.96	7.71	-44.77
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010982041	0	47	-1.0	-53.12	378.62	7.59	-45.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010982042	0	34	-1.0	-50.25	315.76	4.76	-45.49
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010982043	0	41	-1.0	-54.02	339.76	6.26	-47.76
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300010982044	0	39	-1.0	-47.00	332.64	2.95	-44.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300010982045	0	39	-1.0	-54.77	335.72	2.97	-51.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982046	0	41	-1.0	-55.53	373.99	3.37	-52.16
CCC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)S1)C(=O)[O-]	REAL300010982047	0	38	-1.0	-57.78	352.36	1.96	-55.82
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010982048	0	39	-1.0	-54.41	332.62	6.22	-48.19
CCC[C@@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1C)C(=O)[O-]	REAL300010982049	0	41	-1.0	-56.86	345.35	3.49	-53.37
CCC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010982050	0	28	-1.0	-49.10	298.07	3.88	-45.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300010982051	0	46	-1.0	-53.67	380.44	7.28	-46.39
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010982052	0	37	-1.0	-57.18	315.93	6.05	-51.13
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010982053	0	41	-1.0	-54.23	350.93	7.20	-47.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010982054	0	34	-1.0	-38.70	326.40	5.32	-33.38
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982055	0	31	-1.0	-49.67	313.89	5.47	-44.20
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300010982056	0	46	-1.0	-53.32	367.20	6.57	-46.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300010982057	0	34	-1.0	-51.01	312.22	4.89	-46.12
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010982058	0	31	-1.0	-46.54	295.77	3.97	-42.57
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010982059	1	31	-1.0	-39.37	310.29	4.56	-34.81
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010982060	0	34	-1.0	-40.88	319.89	4.88	-36.00
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010982061	0	31	-1.0	-48.68	309.91	4.51	-44.17
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010982062	0	31	-1.0	-49.01	295.62	3.96	-45.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982063	0	34	-1.0	-51.97	321.35	4.81	-47.16
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010982064	0	36	-1.0	-51.02	314.64	4.45	-46.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010982065	0	34	-1.0	-53.67	301.06	4.61	-49.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010982066	0	42	-1.0	-54.40	382.50	7.16	-47.24
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010982067	0	31	-1.0	-45.32	299.58	4.40	-40.92
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010982068	0	31	-1.0	-49.04	297.24	4.51	-44.53
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300010982069	0	37	-1.0	-51.51	333.53	4.33	-47.18
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300010982070	0	35	-1.0	-51.17	312.71	3.14	-48.03
CCC[C@@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010982071	1	31	-1.0	-53.06	290.50	4.08	-48.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010982072	0	31	-1.0	-50.87	303.77	4.45	-46.42
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300010982073	0	46	-1.0	-54.37	395.21	5.91	-48.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300010982074	0	38	-1.0	-55.08	346.90	3.30	-51.78
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300010982075	0	47	-1.0	-55.61	384.58	7.02	-48.59
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300010982076	0	34	-1.0	-55.56	315.64	5.56	-50.00
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010982077	0	34	-1.0	-56.60	332.30	5.45	-51.15
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010982078	0	41	-1.0	-56.05	344.38	5.44	-50.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010982079	0	38	-1.0	-52.84	327.35	1.24	-51.60
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300010982080	0	39	-1.0	-55.20	338.80	1.14	-54.06
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010982081	0	36	-1.0	-50.14	317.40	5.24	-44.90
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010982082	0	38	-1.0	-59.34	339.48	2.74	-56.60
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010982083	0	36	-1.0	-50.53	311.87	5.11	-45.42
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982084	0	37	-1.0	-54.82	348.27	4.95	-49.87
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010982085	0	30	-1.0	-49.83	293.90	2.49	-47.34
CCC[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010982086	0	40	-1.0	-66.81	362.02	1.97	-64.84
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010982087	0	38	-1.0	-62.83	338.47	2.78	-60.05
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010982088	0	45	-1.0	-72.58	368.63	5.34	-67.24
CCC[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010982089	0	36	-1.0	-69.78	325.60	-0.20	-69.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300010982090	0	41	-1.0	-54.58	334.58	4.54	-50.04
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010982091	0	31	-1.0	-52.43	297.17	4.50	-47.93
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010982092	0	42	-1.0	-52.68	360.10	3.30	-49.38
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010982093	0	34	-1.0	-55.52	321.67	5.11	-50.41
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010982094	0	31	-1.0	-50.69	313.13	4.84	-45.85
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300010982095	0	44	-1.0	-62.58	380.39	3.57	-59.01
CCC[C@@H](NS(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010982096	0	45	-1.0	-62.29	386.93	2.67	-59.62
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300010982097	0	39	-1.0	-59.78	334.47	6.09	-53.69
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300010982098	0	43	-1.0	-53.72	357.89	6.47	-47.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300010982099	0	41	-1.0	-53.74	353.31	4.30	-49.44
CCC[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300010982100	0	43	-1.0	-52.68	348.57	1.09	-51.59
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300010982101	0	34	-1.0	-55.25	305.73	5.11	-50.14
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300010982102	0	47	-1.0	-53.04	388.91	6.09	-46.95
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010982103	0	45	-1.0	-52.19	371.40	6.00	-46.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300010982104	0	44	-1.0	-53.02	369.70	5.51	-47.51
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982105	0	41	-1.0	-53.21	349.84	4.78	-48.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010982106	0	35	-1.0	-51.10	322.52	3.62	-47.48
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010982107	0	35	-1.0	-53.24	332.27	3.88	-49.36
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300010982108	0	38	-1.0	-54.24	326.59	3.80	-50.44
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300010982109	0	44	-1.0	-53.45	366.14	5.38	-48.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300010982110	0	38	-1.0	-54.20	318.50	3.89	-50.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300010982111	0	42	-1.0	-55.56	361.73	3.28	-52.28
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300010982112	0	42	-1.0	-58.85	367.74	3.44	-55.41
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010982113	0	46	-1.0	-53.23	381.42	3.23	-50.00
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300010982114	0	34	-1.0	-53.46	312.29	5.10	-48.36
CCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010982115	0	37	-1.0	-53.08	351.64	1.94	-51.14
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982116	0	37	-1.0	-58.90	334.41	5.69	-53.21
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010982117	0	36	-1.0	-53.43	317.68	4.16	-49.27
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982118	0	37	-1.0	-54.68	352.83	5.05	-49.63
CCC[C@@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010982119	0	35	-1.0	-57.01	313.29	4.20	-52.81
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010982120	0	32	-1.0	-51.12	303.44	4.25	-46.87
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010982121	0	35	-1.0	-50.83	332.12	4.96	-45.87
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982122	0	48	-1.0	-59.50	414.76	2.97	-56.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982123	0	41	-1.0	-57.01	358.82	4.49	-52.52
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010982124	0	40	-1.0	-52.93	347.81	4.95	-47.98
CCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010982125	0	41	-1.0	-59.18	338.84	-0.96	-60.14
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010982126	0	40	-1.0	-64.78	345.41	3.85	-60.93
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300010982127	0	40	-1.0	-56.80	347.35	4.98	-51.82
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300010982128	0	40	-1.0	-55.12	332.88	3.60	-51.52
CCC[C@@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300010982129	0	40	-1.0	-62.27	342.52	4.79	-57.48
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010982130	0	43	-1.0	-56.62	321.24	5.99	-50.63
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300010982131	0	44	-1.0	-58.65	379.49	6.67	-51.98
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010982132	0	39	-1.0	-68.40	343.18	3.19	-65.21
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010982134	0	38	-1.0	-59.12	342.79	5.05	-54.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982135	0	37	-1.0	-51.60	344.87	4.58	-47.02
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300010982136	0	35	-1.0	-51.23	332.29	4.09	-47.14
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300010982137	0	41	-1.0	-54.97	369.05	5.79	-49.18
CCC[C@@H](NS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982138	0	34	-1.0	-40.03	333.15	3.17	-36.86
CCC[C@@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300010982139	0	31	-1.0	-52.22	303.94	4.18	-48.04
CCC[C@@H](NS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982140	0	35	-1.0	-53.67	321.15	2.12	-51.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010982141	0	32	-1.0	-48.79	313.18	4.58	-44.21
CCC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300010982142	0	39	-1.0	-57.47	324.51	6.60	-50.87
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300010982143	0	37	-1.0	-44.60	345.66	5.08	-39.52
CCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300010982144	0	40	-1.0	-65.69	349.90	2.10	-63.59
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010982145	0	35	-1.0	-54.54	315.15	4.98	-49.56
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010982146	0	32	-1.0	-53.34	313.20	4.57	-48.77
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300010982147	0	47	-1.0	-53.40	389.22	5.53	-47.87
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010982148	0	42	-1.0	-59.18	365.07	3.75	-55.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010982149	0	43	-1.0	-55.10	385.76	1.63	-53.47
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300010982150	0	39	-1.0	-55.75	353.36	-0.05	-55.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300010982151	0	41	-1.0	-62.85	373.88	2.71	-60.14
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010982152	0	34	-1.0	-53.86	317.77	2.62	-51.24
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)O1)C(=O)[O-]	REAL300010982153	0	37	-1.0	-52.47	337.72	3.33	-49.14
CCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982154	1	33	-1.0	-63.30	302.33	5.45	-57.85
CCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010982155	0	34	-1.0	-55.09	334.09	5.48	-49.61
CCC[C@@H](NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300010982156	0	44	-1.0	-57.48	370.60	4.40	-53.08
CCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010982157	0	31	-1.0	-56.33	292.31	4.60	-51.73
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300010982158	0	37	-1.0	-53.68	356.93	4.37	-49.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010982159	0	51	-1.0	-51.99	411.32	7.40	-44.59
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010982160	0	41	-1.0	-57.16	374.28	3.35	-53.81
CCC[C@@H](NS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010982161	0	31	-1.0	-50.74	304.56	4.89	-45.85
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300010982162	0	40	-1.0	-62.15	343.49	5.26	-56.89
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982163	0	33	-1.0	-53.04	308.22	5.78	-47.26
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300010982164	0	39	-1.0	-53.59	341.58	3.05	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300010982165	0	42	-1.0	-56.66	348.07	3.80	-52.86
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982166	1	33	-1.0	-51.40	325.97	6.48	-44.92
CCC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010982167	0	34	-1.0	-58.35	314.77	4.64	-53.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010982168	0	32	-1.0	-52.07	300.14	4.01	-48.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010982169	0	32	-1.0	-51.91	310.44	4.45	-47.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1Br)C(=O)[O-]	REAL300010982170	0	37	-1.0	-50.63	345.80	5.08	-45.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300010982171	0	34	-1.0	-51.03	316.26	4.98	-46.05
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2)C(=O)[O-]	REAL300010982172	0	35	-1.0	-52.99	326.31	1.26	-51.73
CCC[C@@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300010982173	0	37	-1.0	-62.99	336.96	2.57	-60.42
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010982174	0	37	-1.0	-52.93	330.68	6.49	-46.44
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010982175	0	36	-1.0	-50.41	322.68	5.21	-45.20
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300010982176	0	31	-1.0	-51.07	310.70	4.13	-46.94
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982177	0	36	-1.0	-47.31	341.78	5.57	-41.74
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982178	0	37	-1.0	-48.64	342.43	4.53	-44.11
CCC[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010982179	0	49	-1.0	-52.56	352.82	5.02	-47.54
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300010982180	0	39	-1.0	-62.62	338.48	5.15	-57.47
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010982181	0	42	-1.0	-54.73	354.99	2.31	-52.42
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300010982182	0	34	-1.0	-54.51	309.29	4.98	-49.53
CCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300010982183	0	37	-1.0	-56.27	330.22	4.98	-51.29
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010982184	0	39	-1.0	-51.65	335.81	1.53	-50.12
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300010982185	0	37	-1.0	-49.94	332.50	4.50	-45.44
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300010982186	0	37	-1.0	-55.64	327.49	5.60	-50.04
CCC[C@@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300010982187	0	38	-1.0	-54.53	337.31	1.41	-53.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982188	0	37	-1.0	-52.39	348.04	4.89	-47.50
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300010982189	0	44	-1.0	-55.59	366.23	6.36	-49.23
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300010982190	0	41	-1.0	-58.72	348.53	5.24	-53.48
CCC[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010982191	0	36	-1.0	-69.90	325.36	3.93	-65.97
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010982192	0	38	-1.0	-52.57	338.33	4.90	-47.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300010982193	0	45	-1.0	-60.97	395.18	5.85	-55.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982194	0	33	-1.0	-55.02	321.15	4.91	-50.11
CCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010982195	0	32	-1.0	-55.53	299.49	3.96	-51.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300010982196	0	45	-1.0	-55.56	383.58	4.25	-51.31
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982197	0	47	-1.0	-53.18	392.84	6.35	-46.83
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982198	0	33	-1.0	-59.86	309.14	5.96	-53.90
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982199	0	37	-1.0	-53.38	336.07	4.46	-48.92
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982200	0	37	-1.0	-49.69	355.71	5.34	-44.35
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300010982201	0	41	-1.0	-47.54	357.80	4.33	-43.21
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300010982202	0	34	-1.0	-52.47	325.72	3.45	-49.02
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300010982203	0	43	-1.0	-61.55	360.30	5.63	-55.92
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982204	0	40	-1.0	-51.84	347.83	4.95	-46.89
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300010982205	0	37	-1.0	-46.02	338.12	4.55	-41.47
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010982206	0	41	-1.0	-55.12	328.98	6.29	-48.83
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010982207	0	37	-1.0	-59.59	325.01	5.59	-54.00
CCC[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010982208	0	30	-1.0	-49.24	293.36	2.56	-46.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982209	0	35	-1.0	-51.93	333.36	5.22	-46.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300010982210	0	45	-1.0	-54.53	386.94	1.67	-52.86
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010982211	0	31	-1.0	-51.05	304.00	4.43	-46.62
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010982212	0	38	-1.0	-65.06	341.50	1.66	-63.40
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010982213	0	34	-1.0	-51.34	306.38	4.95	-46.39
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300010982214	0	35	-1.0	-50.56	326.89	3.73	-46.83
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010982215	0	42	-1.0	-53.52	354.48	5.03	-48.49
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010982216	0	39	-1.0	-55.59	355.71	0.56	-55.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1)C(=O)[O-]	REAL300010982217	0	48	-1.0	-60.03	407.64	2.95	-57.08
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010982218	0	35	-1.0	-55.52	320.26	3.73	-51.79
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300010982219	0	40	-1.0	-62.90	359.17	2.18	-60.72
CCC[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010982220	0	33	-1.0	-49.76	325.04	3.69	-46.07
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300010982221	0	36	-1.0	-48.16	331.36	4.82	-43.34
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010982222	0	32	-1.0	-50.72	318.87	4.78	-45.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300010982223	0	38	-1.0	-54.44	348.76	4.66	-49.78
CCC[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010982224	0	36	-1.0	-53.25	327.47	-0.75	-54.00
CCC[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010982225	0	45	-1.0	-52.92	390.06	5.71	-47.21
CCC[C@@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010982226	0	40	-1.0	-55.67	342.64	4.23	-51.44
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300010982227	0	36	-1.0	-52.71	330.27	3.82	-48.89
CCC[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010982228	0	39	-1.0	-62.21	340.51	5.01	-57.20
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1)C(=O)[O-]	REAL300010982229	0	47	-1.0	-62.29	413.44	2.43	-59.86
CCC[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010982230	0	37	-1.0	-62.72	315.62	-0.01	-62.73
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010982231	0	41	-1.0	-56.68	357.23	4.68	-52.00
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010982232	0	36	-1.0	-54.79	325.26	3.95	-50.84
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300010982233	0	41	-1.0	-53.63	340.20	4.84	-48.79
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300010982234	0	39	-1.0	-61.16	353.64	-0.06	-61.22
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300010982235	0	40	-1.0	-56.95	342.89	5.35	-51.60
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010982236	0	35	-1.0	-55.73	314.84	3.93	-51.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300010982237	0	35	-1.0	-52.53	317.18	4.78	-47.75
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982238	0	43	-1.0	-52.87	375.12	6.14	-46.73
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300010982239	0	37	-1.0	-54.18	335.48	3.58	-50.60
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982240	0	37	-1.0	-58.98	339.36	5.46	-53.52
CCC[C@@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300010982241	0	42	-1.0	-55.93	348.05	5.66	-50.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010982242	0	30	-1.0	-47.69	300.48	2.85	-44.84
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010982243	0	37	-1.0	-48.13	320.88	3.52	-44.61
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010982244	0	36	-1.0	-54.47	311.27	4.17	-50.30
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300010982245	0	34	-1.0	-55.17	310.30	5.20	-49.97
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010982246	0	39	-1.0	-54.66	336.79	2.95	-51.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010982247	0	47	-1.0	-60.86	392.13	4.70	-56.16
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300010982248	0	39	-1.0	-52.61	349.44	3.65	-48.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300010982249	0	45	-1.0	-54.70	379.43	4.81	-49.89
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010982250	0	37	-1.0	-53.47	324.80	2.83	-50.64
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010982251	0	36	-1.0	-56.90	331.17	-1.27	-58.17
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010982252	0	42	-1.0	-62.90	354.56	4.90	-58.00
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O)C(=O)[O-]	REAL300010982253	0	45	-1.0	-64.00	368.35	5.35	-58.65
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300010982254	0	39	-1.0	-58.85	334.85	5.83	-53.02
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010982255	0	37	-1.0	-51.65	331.49	4.45	-47.20
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O)C(=O)[O-]	REAL300010982256	0	42	-1.0	-58.73	356.30	4.83	-53.90
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010982257	0	38	-1.0	-54.27	333.16	2.06	-52.21
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010982258	0	35	-1.0	-54.47	311.47	0.55	-53.92
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O)C(=O)[O-]	REAL300010982259	0	45	-1.0	-54.78	371.42	5.35	-49.43
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1)C(=O)[O-]	REAL300010982260	0	34	-1.0	-58.88	313.56	4.06	-54.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)S1)C(=O)[O-]	REAL300010982261	0	34	-1.0	-51.60	325.38	3.55	-48.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982262	0	35	-1.0	-52.98	333.42	4.96	-48.02
CCC[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010982263	0	37	-1.0	-65.53	329.00	2.42	-63.11
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010982264	0	37	-1.0	-57.85	333.32	0.78	-57.07
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010982265	0	37	-1.0	-55.67	327.72	1.00	-54.67
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010982266	0	37	-1.0	-53.60	339.00	1.53	-52.07
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300010982267	0	39	-1.0	-61.44	338.12	5.20	-56.24
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982268	0	37	-1.0	-56.11	320.95	4.54	-51.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300010982269	0	35	-1.0	-53.84	322.05	4.19	-49.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010982270	0	35	-1.0	-53.71	321.56	4.14	-49.57
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010982271	0	36	-1.0	-61.78	330.95	-1.25	-63.03
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982272	0	37	-1.0	-54.88	331.81	4.42	-50.46
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010982273	0	43	-1.0	-56.35	386.04	1.62	-54.73
CCC[C@@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010982274	0	36	-1.0	-57.49	328.84	5.14	-52.35
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1Cl)C(=O)[O-]	REAL300010982275	0	34	-1.0	-42.90	309.07	4.99	-37.91
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010982276	0	37	-1.0	-61.86	332.49	0.15	-61.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010982277	0	37	-1.0	-59.28	337.69	1.29	-57.99
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010982278	0	38	-1.0	-55.13	342.65	3.05	-52.08
CCC[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010982279	0	39	-1.0	-54.26	346.18	5.27	-48.99
CCC[C@@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010982280	0	40	-1.0	-51.83	323.82	4.70	-47.13
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010982281	0	39	-1.0	-54.87	331.25	4.99	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010982282	0	37	-1.0	-52.76	331.18	3.72	-49.04
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010982283	0	36	-1.0	-52.32	324.38	5.27	-47.05
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982284	0	39	-1.0	-58.22	330.44	6.49	-51.73
CCC[C@@H](NS(=O)(=O)N1CCCC(C(=O)OCC)C1)C(=O)[O-]	REAL300010982285	0	45	-1.0	-53.83	371.43	4.47	-49.36
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010982286	0	35	-1.0	-49.51	322.75	3.58	-45.93
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010982287	0	42	-1.0	-60.55	372.51	1.76	-58.79
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010982288	0	31	-1.0	-49.21	294.61	4.37	-44.84
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982289	0	33	-1.0	-55.73	308.03	5.79	-49.94
CCC[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010982290	0	43	-1.0	-66.84	363.76	3.12	-63.72
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010982291	0	41	-1.0	-57.04	340.35	7.59	-49.45
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982292	0	40	-1.0	-54.33	353.40	5.37	-48.96
CCC[C@@H](NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010982293	0	45	-1.0	-41.31	368.75	3.74	-37.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010982294	0	31	-1.0	-50.36	298.06	4.41	-45.95
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010982295	0	33	-1.0	-49.51	305.21	4.43	-45.08
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010982296	0	37	-1.0	-55.19	322.89	6.04	-49.15
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010982297	0	38	-1.0	-58.11	333.09	2.66	-55.45
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300010982298	0	36	-1.0	-59.34	317.17	5.28	-54.06
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982299	0	33	-1.0	-60.02	291.62	5.25	-54.77
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300010982300	0	38	-1.0	-43.26	346.29	5.20	-38.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010982301	0	38	-1.0	-53.42	328.10	4.01	-49.41
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010982302	0	37	-1.0	-53.52	321.27	2.94	-50.58
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300010982303	0	46	-1.0	-56.88	365.22	6.90	-49.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010982304	0	31	-1.0	-50.90	308.91	4.74	-46.16
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010982305	0	31	-1.0	-40.39	307.66	4.93	-35.46
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982306	0	34	-1.0	-50.68	315.48	4.79	-45.89
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010982307	0	34	-1.0	-59.61	294.67	4.55	-55.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982308	0	34	-1.0	-51.77	328.93	5.17	-46.60
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010982309	0	34	-1.0	-39.13	326.65	5.34	-33.79
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010982310	0	31	-1.0	-51.07	299.59	4.32	-46.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300010982311	0	40	-1.0	-55.65	353.38	2.84	-52.81
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010982312	0	30	-1.0	-46.67	304.16	2.85	-43.82
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300010982313	0	35	-1.0	-43.55	317.35	3.63	-39.92
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300010982314	0	40	-1.0	-59.06	356.64	6.74	-52.32
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300010982315	0	40	-1.0	-59.28	353.72	5.23	-54.05
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300010982316	0	41	-1.0	-52.24	359.68	5.56	-46.68
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300010982317	0	42	-1.0	-74.73	355.84	4.80	-69.93
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010982318	0	32	-1.0	-54.52	308.71	4.36	-50.16
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300010982319	0	45	-1.0	-57.79	380.15	3.19	-54.60
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010982320	0	39	-1.0	-50.37	350.57	4.91	-45.46
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300010982321	0	36	-1.0	-48.76	321.01	4.97	-43.79
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982322	0	45	-1.0	-47.16	391.69	6.39	-40.77
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010982323	0	34	-1.0	-53.78	317.87	2.58	-51.20
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300010982324	0	42	-1.0	-58.66	365.56	4.54	-54.12
CCC[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300010982325	0	33	-1.0	-51.79	308.80	3.27	-48.52
CCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300010982326	0	41	-1.0	-57.80	355.22	4.41	-53.39
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010982327	0	41	-1.0	-62.44	351.65	3.59	-58.85
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300010982328	0	43	-1.0	-56.01	351.01	4.34	-51.67
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010982329	0	33	-1.0	-48.02	307.47	3.00	-45.02
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300010982330	0	37	-1.0	-54.39	328.09	2.83	-51.56
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010982331	0	40	-1.0	-54.23	350.53	5.47	-48.76
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300010982332	0	39	-1.0	-55.78	335.76	2.39	-53.39
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300010982333	0	37	-1.0	-57.97	325.00	5.14	-52.83
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300010982334	0	43	-1.0	-54.80	354.04	6.33	-48.47
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300010982335	0	39	-1.0	-47.36	332.20	6.02	-41.34
CCC[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982336	0	37	-1.0	-55.83	333.92	3.25	-52.58
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300010982337	0	32	-1.0	-50.69	298.68	1.76	-48.93
CCC[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300010982338	0	33	-1.0	-54.84	306.73	2.54	-52.30
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300010982339	0	37	-1.0	-50.31	323.79	5.12	-45.19
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300010982340	0	39	-1.0	-60.34	336.34	2.24	-58.10
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982341	0	38	-1.0	-54.44	338.70	3.90	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300010982342	0	31	-1.0	-49.43	300.15	4.36	-45.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010982343	0	42	-1.0	-56.23	359.60	5.60	-50.63
CCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010982344	0	34	-1.0	-57.39	323.22	5.03	-52.36
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300010982345	0	36	-1.0	-55.33	319.75	-0.05	-55.38
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300010982346	0	34	-1.0	-51.76	305.76	5.10	-46.66
CCC[C@@H](NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300010982347	0	42	-1.0	-62.15	350.97	4.48	-57.67
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300010982348	0	39	-1.0	-55.01	341.66	1.44	-53.57
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300010982349	0	41	-1.0	-50.30	329.25	4.48	-45.82
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300010982350	0	39	-1.0	-58.02	348.14	3.48	-54.54
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010982351	0	40	-1.0	-59.48	355.43	5.14	-54.34
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300010982352	0	42	-1.0	-54.91	352.49	3.89	-51.02
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982353	0	40	-1.0	-64.21	355.19	5.14	-59.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010982354	0	37	-1.0	-53.51	339.39	3.56	-49.95
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010982355	0	42	-1.0	-54.44	360.96	7.90	-46.54
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)OC)C=C1)C(=O)[O-]	REAL300010982356	0	41	-1.0	-59.31	362.61	4.71	-54.60
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300010982357	0	44	-1.0	-55.50	383.56	4.86	-50.64
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300010982358	0	41	-1.0	-55.12	337.52	4.48	-50.64
CCC[C@@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300010982359	0	35	-1.0	-56.67	315.18	4.16	-52.51
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010982360	0	34	-1.0	-56.55	310.68	5.76	-50.79
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982361	0	33	-1.0	-52.66	312.79	5.87	-46.79
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982362	0	36	-1.0	-58.18	309.27	6.08	-52.10
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300010982363	0	33	-1.0	-46.82	319.07	5.11	-41.71
CCC[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010982364	0	28	-1.0	-54.15	277.30	2.72	-51.43
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300010982365	0	35	-1.0	-51.48	311.62	4.07	-47.41
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300010982366	0	39	-1.0	-55.21	322.33	4.95	-50.26
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010982367	0	33	-1.0	-56.32	312.10	3.13	-53.19
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300010982368	0	39	-1.0	-54.18	342.72	3.03	-51.15
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300010982369	0	36	-1.0	-56.67	311.53	4.25	-52.42
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010982370	0	30	-1.0	-48.01	304.88	3.02	-44.99
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010982371	0	33	-1.0	-47.71	310.88	4.53	-43.18
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300010982372	0	33	-1.0	-49.80	321.40	4.89	-44.91
CCC[C@@H](NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300010982373	0	40	-1.0	-60.76	355.77	2.37	-58.39
CCC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982374	0	36	-1.0	-54.00	325.73	4.60	-49.40
CCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982375	0	33	-1.0	-56.31	305.05	4.85	-51.46
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982376	0	33	-1.0	-51.07	311.39	4.52	-46.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982377	0	38	-1.0	-55.41	347.91	4.45	-50.96
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982378	0	33	-1.0	-55.53	312.60	5.90	-49.63
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010982379	0	45	-1.0	-53.51	388.00	7.07	-46.44
CCC[C@@H](NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)[O-]	REAL300010982380	0	46	-1.0	-63.64	353.77	6.19	-57.45
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010982381	0	39	-1.0	-58.97	359.94	0.48	-58.49
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300010982382	0	39	-1.0	-58.92	339.83	5.05	-53.87
CCC[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300010982383	0	44	-1.0	-52.60	353.74	2.21	-50.39
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300010982384	0	40	-1.0	-56.86	350.15	4.80	-52.06
CCC[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010982385	0	41	-1.0	-56.59	363.57	5.36	-51.23
CCC[C@@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300010982386	0	53	-1.0	-53.19	406.60	6.43	-46.76
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300010982387	0	37	-1.0	-58.68	345.74	5.07	-53.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010982388	0	39	-1.0	-58.13	350.55	0.47	-57.66
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010982389	0	37	-1.0	-61.86	341.83	1.33	-60.53
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300010982390	0	34	-1.0	-42.43	310.06	4.60	-37.83
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300010982391	0	38	-1.0	-57.54	344.67	4.83	-52.71
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300010982392	0	43	-1.0	-54.40	367.50	5.33	-49.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300010982393	0	41	-1.0	-52.33	360.35	5.65	-46.68
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010982394	0	38	-1.0	-56.62	342.81	2.25	-54.37
CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300010982395	0	38	-1.0	-60.41	340.72	-1.50	-61.91
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300010982396	0	34	-1.0	-53.33	309.54	4.56	-48.77
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300010982397	0	36	-1.0	-54.86	331.26	5.45	-49.41
CCC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010982398	0	37	-1.0	-52.19	331.36	4.91	-47.28
CCC[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010982399	0	28	-1.0	-49.19	302.96	3.98	-45.21
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300010982400	0	43	-1.0	-56.34	371.92	5.80	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300010982401	0	31	-1.0	-42.29	304.58	4.53	-37.76
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982402	0	37	-1.0	-50.71	331.45	5.28	-45.43
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300010982403	0	37	-1.0	-55.66	340.99	4.72	-50.94
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300010982404	0	39	-1.0	-50.82	343.34	3.48	-47.34
CCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010982405	0	38	-1.0	-57.84	345.29	4.36	-53.48
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010982406	0	34	-1.0	-54.45	327.23	5.12	-49.33
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300010982407	0	35	-1.0	-53.05	316.58	0.74	-52.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300010982408	0	40	-1.0	-55.77	358.29	6.63	-49.14
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010982409	0	33	-1.0	-56.32	312.10	3.13	-53.19
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300010982410	0	33	-1.0	-54.60	319.01	5.11	-49.49
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982411	0	37	-1.0	-59.03	323.82	5.25	-53.78
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010982412	0	34	-1.0	-55.76	313.87	4.94	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300010982413	0	43	-1.0	-69.37	373.31	2.30	-67.07
CCC[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982414	0	38	-1.0	-55.46	346.38	4.28	-51.18
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010982415	0	31	-1.0	-40.33	312.23	5.04	-35.29
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300010982416	0	39	-1.0	-57.57	354.96	3.67	-53.90
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300010982417	0	39	-1.0	-49.20	346.47	1.17	-48.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982418	0	40	-1.0	-53.40	357.92	5.39	-48.01
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010982419	0	39	-1.0	-56.35	335.83	4.44	-51.91
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300010982420	0	34	-1.0	-52.22	332.96	5.75	-46.47
CCC[C@@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010982421	0	37	-1.0	-56.94	345.18	6.71	-50.23
CCC[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010982422	0	34	-1.0	-52.36	329.68	5.63	-46.73
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010982423	0	37	-1.0	-58.95	322.96	6.61	-52.34
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300010982424	0	37	-1.0	-57.39	332.81	6.57	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300010982425	0	45	-1.0	-55.30	390.51	6.02	-49.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010982426	0	37	-1.0	-57.01	341.85	1.33	-55.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300010982427	0	44	-1.0	-60.11	384.39	5.34	-54.77
CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300010982428	0	42	-1.0	-60.06	376.62	0.84	-59.22
CCC[C@@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010982429	1	32	-1.0	-53.84	304.62	4.42	-49.42
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300010982430	0	42	-1.0	-52.96	351.90	4.43	-48.53
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300010982431	0	36	-1.0	-55.90	329.68	5.63	-50.27
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010982432	0	34	-1.0	-56.76	318.37	4.35	-52.41
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010982433	0	37	-1.0	-55.33	334.16	5.70	-49.63
CCC[C@@H](NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300010982434	0	43	-1.0	-51.75	354.25	4.27	-47.48
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010982435	0	37	-1.0	-63.44	337.71	1.28	-62.16
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300010982436	0	47	-1.0	-57.47	396.52	1.41	-56.06
CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300010982437	0	45	-1.0	-56.45	371.54	4.50	-51.95
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300010982438	0	39	-1.0	-61.94	338.08	5.22	-56.72
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010982439	0	46	-1.0	-62.09	398.97	2.90	-59.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300010982440	0	41	-1.0	-61.79	353.65	3.48	-58.31
CCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010982441	0	34	-1.0	-57.79	322.67	5.01	-52.78
CCC[C@@H](NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982442	0	32	-1.0	-56.67	288.23	4.33	-52.34
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982443	0	40	-1.0	-60.32	345.43	5.56	-54.76
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010982444	0	31	-1.0	-39.76	294.28	4.40	-35.36
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CCC)C(=O)[O-]	REAL300010982445	0	50	-1.0	-65.19	401.95	7.20	-57.99
CCC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010982446	0	34	-1.0	-56.60	327.67	5.38	-51.22
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300010982447	0	38	-1.0	-54.33	352.27	3.33	-51.00
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010982448	0	39	-1.0	-53.10	333.69	4.40	-48.70
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010982449	0	35	-1.0	-52.41	333.86	4.15	-48.26
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300010982450	0	43	-1.0	-60.09	362.30	2.70	-57.39
CCC[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982451	0	34	-1.0	-59.09	324.57	3.44	-55.65
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982452	0	40	-1.0	-58.93	355.95	6.18	-52.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010982453	0	42	-1.0	-52.89	382.16	7.15	-45.74
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300010982454	0	40	-1.0	-54.02	337.43	4.97	-49.05
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982455	0	33	-1.0	-51.29	326.53	5.06	-46.23
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300010982456	0	35	-1.0	-48.96	332.23	4.51	-44.45
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300010982457	0	43	-1.0	-54.97	352.82	4.32	-50.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982458	0	33	-1.0	-50.95	305.01	4.46	-46.49
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300010982459	0	45	-1.0	-52.14	386.86	7.32	-44.82
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300010982460	0	38	-1.0	-58.39	326.43	4.32	-54.07
CCC[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010982461	0	45	-1.0	-61.30	400.77	2.68	-58.62
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010982462	0	34	-1.0	-52.16	308.73	1.26	-50.90
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300010982463	0	39	-1.0	-54.94	339.64	4.22	-50.72
CCC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010982464	0	31	-1.0	-50.18	304.54	4.89	-45.29
CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300010982465	0	42	-1.0	-54.42	338.99	3.18	-51.24
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300010982466	0	41	-1.0	-52.58	350.33	4.67	-47.91
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982467	0	40	-1.0	-59.12	369.36	4.92	-54.20
CCC[C@@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300010982468	0	38	-1.0	-54.92	331.85	3.51	-51.41
CCC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010982469	0	31	-1.0	-55.75	307.60	3.80	-51.95
CCC[C@@H](NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010982470	0	40	-1.0	-58.13	355.35	5.62	-52.51
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010982471	0	37	-1.0	-56.47	334.45	4.66	-51.81
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010982472	0	37	-1.0	-54.92	351.11	5.19	-49.73
CCC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010982473	0	34	-1.0	-54.53	315.81	1.95	-52.58
CCC[C@@H](NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300010982474	0	36	-1.0	-54.41	320.38	1.44	-52.97
CCC[C@@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300010982475	0	43	-1.0	-53.06	328.68	6.83	-46.23
CCC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300010982477	0	31	-1.0	-53.81	298.94	3.55	-50.26
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010982478	0	36	-1.0	-50.99	340.31	4.69	-46.30
CCC[C@@H](NS(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010982479	1	30	-1.0	-48.09	305.92	2.02	-46.07
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300010982480	0	36	-1.0	-55.66	321.50	5.29	-50.37
CCC[C@@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010982481	0	35	-1.0	-50.53	329.49	2.64	-47.89
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982482	0	36	-1.0	-58.72	321.07	5.67	-53.05
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982483	0	39	-1.0	-66.73	341.43	5.67	-61.06
CCC[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010982484	0	39	-1.0	-57.98	350.10	5.95	-52.03
CCC[C@@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300010982485	0	36	-1.0	-49.17	334.15	3.58	-45.59
CCCCCCN1C=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C(=O)NC1=O	REAL300010982486	0	49	-1.0	-52.29	414.00	4.61	-47.68
CCC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010982488	0	34	-1.0	-59.43	311.00	4.55	-54.88
CCC[C@@H](NS(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C)C(=O)[O-]	REAL300010982489	0	42	-1.0	-55.09	361.27	5.65	-49.44
CCC[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300010982490	0	35	-1.0	-59.74	326.76	4.89	-54.85
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982491	0	36	-1.0	-54.03	329.83	5.11	-48.92
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300010982492	0	37	-1.0	-55.46	324.07	5.24	-50.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300010982493	0	46	-1.0	-63.95	403.79	1.20	-62.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300010982494	1	46	-1.0	-66.07	394.61	0.89	-65.18
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1)C(=O)[O-]	REAL300010982495	0	45	-1.0	-54.36	398.67	2.24	-52.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010982496	0	45	-1.0	-53.34	382.87	4.97	-48.37
CCC[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010982497	0	34	-1.0	-72.20	315.53	3.67	-68.53
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010982498	0	34	-1.0	-54.19	312.46	5.08	-49.11
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300010982499	0	34	-1.0	-43.72	312.35	5.09	-38.63
CCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010982500	0	34	-1.0	-54.63	312.35	4.57	-50.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300010982501	0	42	-1.0	-54.57	377.17	1.45	-53.12
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010982502	0	30	-1.0	-54.28	292.23	3.11	-51.17
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300010982503	0	42	-1.0	-52.51	362.20	4.72	-47.79
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010982504	0	34	-1.0	-53.17	334.07	5.53	-47.64
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010982505	0	39	-1.0	-52.57	358.47	2.12	-50.45
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010982506	0	31	-1.0	-49.34	307.17	5.18	-44.16
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982507	0	30	-1.0	-47.93	300.57	2.92	-45.01
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300010982508	0	36	-1.0	-51.42	327.54	2.59	-48.83
CCC[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010982509	0	34	-1.0	-49.40	343.45	0.93	-48.47
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300010982510	0	50	-1.0	-61.92	432.36	4.79	-57.13
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010982511	0	39	-1.0	-54.14	330.49	4.41	-49.73
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300010982512	0	41	-1.0	-53.55	346.24	4.61	-48.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300010982513	0	45	-1.0	-60.54	412.84	1.44	-59.10
CCC[C@@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300010982514	0	38	-1.0	-54.36	331.83	3.52	-50.84
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300010982515	0	40	-1.0	-63.55	363.37	3.66	-59.89
CCC[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010982516	0	42	-1.0	-59.80	353.42	10.92	-48.88
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300010982517	0	34	-1.0	-54.64	307.01	4.85	-49.79
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300010982518	0	36	-1.0	-49.53	334.53	4.80	-44.73
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010982519	0	42	-1.0	-53.88	382.46	2.74	-51.14
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300010982520	0	44	-1.0	-54.58	375.10	6.41	-48.17
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010982521	0	35	-1.0	-55.62	335.63	5.20	-50.42
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010982522	0	40	-1.0	-65.72	340.52	7.44	-58.28
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010982523	0	34	-1.0	-54.79	303.11	2.42	-52.37
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010982524	0	39	-1.0	-66.97	328.87	5.70	-61.27
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010982525	0	37	-1.0	-60.68	320.79	5.31	-55.37
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300010982526	0	44	-1.0	-64.99	369.31	5.12	-59.87
CCC[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010982527	0	43	-1.0	-57.35	350.54	0.72	-56.63
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010982528	0	37	-1.0	-50.63	345.68	1.83	-48.80
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982529	0	40	-1.0	-54.33	359.81	5.43	-48.90
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300010982530	0	38	-1.0	-53.08	319.99	3.79	-49.29
CCC[C@@H](NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982531	0	40	-1.0	-55.43	353.97	4.02	-51.41
CCC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010982532	0	48	-1.0	-59.87	385.50	5.49	-54.38
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300010982533	0	44	-1.0	-53.91	387.48	5.46	-48.45
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010982534	0	32	-1.0	-50.54	309.09	4.67	-45.87
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300010982535	0	35	-1.0	-53.26	331.96	4.32	-48.94
CCC[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010982536	0	38	-1.0	-60.85	320.32	4.14	-56.71
CCC[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010982537	0	36	-1.0	-57.95	323.98	3.81	-54.14
CCC[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010982538	0	51	-1.0	-46.08	393.44	5.45	-40.63
CCC[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010982539	0	45	-1.0	-55.35	368.05	3.87	-51.48
CCC[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010982540	0	42	-1.0	-60.73	375.28	4.62	-56.11
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300010982541	0	37	-1.0	-51.26	325.87	1.38	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010982542	0	33	-1.0	-50.81	311.76	2.97	-47.84
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010982543	1	33	-1.0	-53.46	317.76	1.56	-51.90
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982544	0	37	-1.0	-54.70	337.94	4.51	-50.19
CC1=CC=C(F)C(CN(C)C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])=C1	REAL300011087001	0	37	-1.0	-45.16	297.95	9.61	-35.55
CC1=CC=C(F)C(CN(C)C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011087002	0	36	-1.0	-39.56	314.36	9.42	-30.14
CC1=CC=C(F)C(CN(C)C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])=C1	REAL300011087003	0	37	-1.0	-48.28	332.27	10.03	-38.25
CC1=CC=C(F)C(CN(C)C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011087004	0	40	-1.0	-50.18	345.06	11.51	-38.67
CN1C=C(C2=CC=CC=C2CNC2=C(C(=O)[O-])N=NC3=CC=CC=C32)C=N1	REAL300011087005	0	43	-1.0	-60.66	360.04	8.79	-51.87
CN1C=C(C2=CC=CC=C2CNC2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300011087006	0	41	-1.0	-67.75	354.60	10.56	-57.19
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3=CC=CC=C3C3=CN(C)N=C3)=C12	REAL300011087007	0	46	-1.0	-54.29	384.91	10.58	-43.71
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=CC=CC=C3C3=CN(C)N=C3)=C12	REAL300011087008	0	43	-1.0	-53.32	363.13	10.63	-42.69
CN1C=C(C2=CC=CC=C2CNC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])C=N1	REAL300011087009	0	44	-1.0	-61.91	376.07	4.63	-57.28
COC1=CC=CC2=C(NCC3=CC=CC=C3C3=CN(C)N=C3)C(C(=O)[O-])=CN=C12	REAL300011087010	0	48	-1.0	-63.41	389.46	8.43	-54.98
CN1C=C(C2=CC=CC=C2CNC2=CC=C(C(=O)[O-])N=N2)C=N1	REAL300011087016	0	37	-1.0	-57.84	318.80	7.47	-50.37
CN1C=C(C2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=N2)C=N1	REAL300011087017	0	37	-1.0	-50.35	319.93	9.14	-41.21
CN1C=C(C2=CC=CC=C2CNC2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300011087019	0	40	-1.0	-58.56	351.41	10.24	-48.32
CN1C=C(C2=CC=CC=C2CNC2=NC=NC=C2C(=O)[O-])C=N1	REAL300011087020	0	37	-1.0	-52.41	314.21	8.84	-43.57
CN1C=C(C2=CC=CC=C2CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300011087021	0	44	-1.0	-53.05	372.36	11.08	-41.97
CC1=C(C(=O)[O-])C(NCC2=CC=CC=C2C2=CN(C)N=C2)=NC2=CC=CC=C21	REAL300011087022	0	47	-1.0	-62.30	386.40	11.66	-50.64
CC1=CC(NCC2=CC=CC=C2C2=CN(C)N=C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087023	0	44	-1.0	-55.53	365.79	10.84	-44.69
CN1C=C(C2=CC=CC=C2CNC2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])C=N1	REAL300011087024	0	40	-1.0	-50.66	351.28	9.73	-40.93
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2=CC=CC=C2C2=CN(C)N=C2)=N1	REAL300011087025	0	43	-1.0	-58.92	373.08	10.84	-48.08
CN1C=C(C2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=N2)C=N1	REAL300011087026	0	37	-1.0	-50.35	319.93	9.14	-41.21
CN1C=C(C2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300011087027	0	40	-1.0	-48.35	350.33	9.72	-38.63
CN1C=C(C2=CC=CC=C2CNC2=NC=C(C(=O)[O-])S2)C=N1	REAL300011087028	0	35	-1.0	-55.63	315.87	7.93	-47.70
CN1C=C(C2=CC=CC=C2CNC2=CC(C(=O)[O-])=NC=N2)C=N1	REAL300011087029	0	37	-1.0	-55.11	319.04	8.35	-46.76
CN1C=C(C2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])C=N1	REAL300011087030	0	38	-1.0	-57.11	318.93	9.06	-48.05
CN1C=C(C2=CC=CC=C2CNC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300011087031	0	38	-1.0	-54.59	322.74	8.52	-46.07
CN1C=C(C2=CC=CC=C2CNC2=NC=NC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300011087032	0	43	-1.0	-56.66	362.97	10.85	-45.81
CN1C=C(C2=CC=CC=C2CNC2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300011087033	0	38	-1.0	-54.25	323.30	8.54	-45.71
CN1C=C(C2=CC=CC=C2CNC2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])C=N1	REAL300011087034	0	41	-1.0	-55.29	339.46	9.66	-45.63
CC1=NC(NCC2=CC=CC=C2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300011087035	0	41	-1.0	-55.15	342.80	9.12	-46.03
CN1C=C(C2=CC=CC=C2CNC2=CN=C(C(=O)[O-])C=N2)C=N1	REAL300011087036	0	37	-1.0	-56.61	318.41	6.66	-49.95
CN1C=C(C2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300011087037	0	40	-1.0	-48.35	350.33	9.72	-38.63
CC1=NC(NCC2=CC=CC=C2C2=CN(C)N=C2)=NC=C1C(=O)[O-]	REAL300011087038	0	40	-1.0	-50.12	336.40	9.67	-40.45
CN1C=C(C2=CC=CC=C2CNC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])C=N1	REAL300011087039	0	41	-1.0	-49.84	359.38	10.15	-39.69
CN1C=C(C2=CC=CC=C2CNC2=CC=C(C(=O)[O-])N=N2)C=N1	REAL300011087040	0	37	-1.0	-57.84	318.80	7.47	-50.37
CN1C=C(C2=CC=CC=C2CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300011087041	0	44	-1.0	-53.05	372.36	11.08	-41.97
CN1C=C(C2=CC=CC=C2CNC2=CC=NC(C(=O)[O-])=C2)C=N1	REAL300011087043	1	38	-1.0	-60.05	323.98	7.71	-52.34
CC1=CC=C(C(=O)[O-])C(NCC2=CC=CC=C2C2=CN(C)N=C2)=N1	REAL300011087044	0	41	-1.0	-58.08	340.52	9.66	-48.42
O=C([O-])C1=CC=NC(N2CCN(CC3CCOC3)CC2)=C1[N+](=O)[O-]	REAL300011087057	1	43	-1.0	-50.46	349.74	5.43	-45.03
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2CCN(CC3CCOC3)CC2)=N1	REAL300011087061	1	43	-1.0	-44.50	348.58	5.60	-38.90
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCN(CC3CCOC3)CC2)=N1	REAL300011087062	1	46	-1.0	-50.50	371.84	5.89	-44.61
O=C([O-])C1=CN=C(N2CCN(CC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087063	1	43	-1.0	-40.63	346.48	5.59	-35.04
O=C([O-])C1=CN=C(N2CCN(CC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087067	1	43	-1.0	-40.63	346.48	5.59	-35.04
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(OC(C)(C)C)=C2)CCO1	REAL300011261001	0	49	-1.0	-46.11	379.29	9.24	-36.87
C=CCC1(C(=O)[O-])CN(C2=NC=NC3=C2C2=C(C=CC=C2)S3)CCO1	REAL300011261002	0	41	-1.0	-52.28	344.66	10.22	-42.06
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=CC([N+](=O)[O-])=CC=C32)CCO1	REAL300011261004	0	41	-1.0	-52.03	344.46	9.38	-42.65
C=CCC1(C(=O)[O-])CN(C2=C([N+](=O)[O-])N=C(C)N2CC)CCO1	REAL300011261005	0	42	-1.0	-63.98	334.74	8.90	-55.08
C=CCC1(C(=O)[O-])CN(C2=NN=C(CC)C(CC)=N2)CCO1	REAL300011261008	0	43	-1.0	-55.60	339.27	7.55	-48.05
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=C([N+](=O)[O-])C=C3C(=O)N2)CCO1	REAL300011261009	0	41	-1.0	-46.86	346.49	9.52	-37.34
C=CCC1(C(=O)[O-])CN(C2=CC(C)=C([N+](=O)[O-])C=C2C(F)(F)F)CCO1	REAL300011261010	0	42	-1.0	-44.93	355.74	9.75	-35.18
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C3=CN=CC=C32)CCO1	REAL300011261011	0	41	-1.0	-45.42	338.55	8.17	-37.25
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(C)(=O)=O)C=C2)CCO1	REAL300011261012	0	40	-1.0	-57.73	330.70	4.31	-53.42
C=CCC1(C(=O)[O-])CN(C2=CC=CC=C2S(C)(=O)=O)CCO1	REAL300011261013	0	40	-1.0	-57.33	328.35	5.34	-51.99
C=CCC1(C(=O)[O-])CN(C2=NN3C=C(C)N=C3S2)CCO1	REAL300011261014	0	36	-1.0	-45.48	310.03	7.81	-37.67
C=CCC1(C(=O)[O-])CN(C2=NN3C(=NC(C)=CC3=O)S2)CCO1	REAL300011261015	0	38	-1.0	-47.38	330.16	7.19	-40.19
C=CCC1(C(=O)[O-])CN(C2=NN3C=C(C4=CC=CC=C4)N=C3S2)CCO1	REAL300011261016	0	43	-1.0	-49.87	366.44	10.63	-39.24
C=CCC1(C(=O)[O-])CN(C2=NN3C=C(C4=CC=C(F)C=C4)N=C3S2)CCO1	REAL300011261017	0	43	-1.0	-47.99	372.85	10.70	-37.29
C=CCC1(C(=O)[O-])CN(C2=CC([N+](=O)[O-])=CC(S(N)(=O)=O)=C2)CCO1	REAL300011261018	0	41	-1.0	-55.70	352.86	2.36	-53.34
C=CCC1(C(=O)[O-])CN(C2=C([N+](=O)[O-])N=C(C)N2C)CCO1	REAL300011261019	0	39	-1.0	-53.22	319.29	8.38	-44.84
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=C([N+](=O)[O-])C=C3S2)CCO1	REAL300011261020	0	38	-1.0	-45.59	334.28	7.95	-37.64
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(N)(=O)=O)C=C2C(F)(F)F)CCO1	REAL300011261021	0	42	-1.0	-56.93	364.78	3.35	-53.58
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=CC=C3S2)CCO1	REAL300011261022	0	36	-1.0	-50.65	305.31	7.09	-43.56
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(N)(=O)=O)C(C(F)(F)F)=C2)CCO1	REAL300011261023	0	42	-1.0	-51.77	346.79	2.85	-48.92
C=CCC1(C(=O)[O-])CN(C2=CC(OC)=CC=C2[N+](=O)[O-])CCO1	REAL300011261024	0	40	-1.0	-52.97	328.44	7.94	-45.03
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2C)CCO1	REAL300011261025	0	41	-1.0	-55.37	331.29	7.32	-48.05
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C=C2S(N)(=O)=O)CCO1	REAL300011261026	0	41	-1.0	-53.42	355.05	3.33	-50.09
C=CCC1(C(=O)[O-])CN(C2=CC(C(C)=O)=CC=C2S(C)(=O)=O)CCO1	REAL300011261027	0	45	-1.0	-65.38	372.75	5.97	-59.41
C=CCC1(C(=O)[O-])CN(C2=CC(C)=C([N+](=O)[O-])C=N2)CCO1	REAL300011261028	0	38	-1.0	-47.62	313.14	6.84	-40.78
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)C(C)(C)C)N=C2)CCO1	REAL300011261029	0	48	-1.0	-52.68	387.20	4.38	-48.30
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=CC=C3C=C2C)CCO1	REAL300011261030	0	42	-1.0	-55.85	335.62	9.38	-46.47
C=CCC1(C(=O)[O-])CN(C2=NN=C(C(C)(C)C)S2)CCO1	REAL300011261031	0	41	-1.0	-53.60	337.91	6.65	-46.95
C=CCC1(C(=O)[O-])CN(C2=CC([N+](=O)[O-])=CC=C2S(N)(=O)=O)CCO1	REAL300011261032	0	41	-1.0	-57.36	354.80	3.32	-54.04
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CCO1	REAL300011261033	0	39	-1.0	-56.98	338.19	9.54	-47.44
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=N2)CCO1	REAL300011261034	0	35	-1.0	-56.23	303.17	5.92	-50.31
C=CCC1(C(=O)[O-])CN(C2=CC=C(C)C=C2[N+](=O)[O-])CCO1	REAL300011261035	0	39	-1.0	-61.65	320.55	9.19	-52.46
C=CCC1(C(=O)[O-])CN(C2=NC=CC=C2C(F)(F)F)CCO1	REAL300011261036	0	36	-1.0	-54.23	308.70	7.57	-46.66
C=CCC1(C(=O)[O-])CN(C2=NN=C(C3=CC=CC=C3)S2)CCO1	REAL300011261037	0	39	-1.0	-54.85	335.43	7.79	-47.06
C=CCC1(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=NS2)CCO1	REAL300011261038	0	39	-1.0	-51.04	336.58	8.27	-42.77
C=CCC1(C(=O)[O-])CN(C2=NC(C(F)(F)F)=CS2)CCO1	REAL300011261039	0	33	-1.0	-46.89	298.56	5.70	-41.19
C=CCC1(C(=O)[O-])CN(C2=NC=C(C3=CC=CC=C3)S2)CCO1	REAL300011261040	0	40	-1.0	-52.58	337.56	8.74	-43.84
C=CCC1(C(=O)[O-])CN(C2=NN3C=C(C4=CC=CN=C4)N=C3S2)CCO1	REAL300011261041	0	42	-1.0	-49.14	361.45	8.84	-40.30
C=CCC1(C(=O)[O-])CN(C2=CC=NC(C(C)(C)C)=N2)CCO1	REAL300011261042	0	44	-1.0	-51.22	342.31	7.39	-43.83
C=CCC1(C(=O)[O-])CN(C2=NN=C(CC3=CC=CC=C3)S2)CCO1	REAL300011261043	0	42	-1.0	-54.12	358.80	8.58	-45.54
C=CCC1(C(=O)[O-])CN(C2=NN=C(CC3=CC=C(F)C=C3)S2)CCO1	REAL300011261044	0	42	-1.0	-54.74	365.22	8.65	-46.09
C=CCC1(C(=O)[O-])CN(C2=NN=C(C(F)(F)F)S2)CCO1	REAL300011261045	0	32	-1.0	-48.83	296.85	5.22	-43.61
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=N2)CCO1	REAL300011261046	0	36	-1.0	-51.67	307.36	7.14	-44.53
C=CCC1(C(=O)[O-])CN(C2=NN=C(CC3=CC=C(Cl)C=C3)S2)CCO1	REAL300011261047	0	42	-1.0	-54.18	375.53	9.10	-45.08
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(C)=N2)CCO1	REAL300011261048	0	38	-1.0	-47.64	315.84	6.92	-40.72
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)CC)C=C2)CCO1	REAL300011261049	0	43	-1.0	-56.59	351.15	4.99	-51.60
C=CCC1(C(=O)[O-])CN(C2=CC=CC=C2S(=O)(=O)CC)CCO1	REAL300011261050	0	43	-1.0	-57.11	349.81	6.23	-50.88
C=CCC1(C(=O)[O-])CN(C2=NC=C(C(F)(F)F)S2)CCO1	REAL300011261051	0	33	-1.0	-47.82	300.21	6.23	-41.59
C=CCC1(C(=O)[O-])CN(C2=C(C)C=CC=C2[N+](=O)[O-])CCO1	REAL300011261052	0	39	-1.0	-53.80	308.82	9.02	-44.78
C=CCC1(C(=O)[O-])CN(C2=C3C=NN(C)C3=NC=N2)CCO1	REAL300011261053	0	38	-1.0	-50.62	307.39	6.11	-44.51
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(=O)CC)C=C2S(N)(=O)=O)CCO1	REAL300011261054	0	47	-1.0	-59.72	389.07	3.89	-55.83
C=CCC1(C(=O)[O-])CN(C2=C3SC=CC3=NC=N2)CCO1	REAL300011261055	0	35	-1.0	-51.18	294.34	6.49	-44.69
C=CCC1(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=N2)CCO1	REAL300011261056	0	36	-1.0	-50.04	307.53	7.16	-42.88
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(C)(=O)=O)C=C2C(F)(F)F)CCO1	REAL300011261057	0	43	-1.0	-59.62	371.24	5.92	-53.70
C=CCC1(C(=O)[O-])CN(C2=CC=CC(C(F)(F)F)=N2)CCO1	REAL300011261058	0	36	-1.0	-52.72	307.18	7.05	-45.67
C=CCC1(C(=O)[O-])CN(C2=CC([N+](=O)[O-])=CC=C2C(C)=O)CCO1	REAL300011261059	0	41	-1.0	-58.66	340.25	8.97	-49.69
C=CCC1(C(=O)[O-])CN(C2=CC=CC(C)=C2[N+](=O)[O-])CCO1	REAL300011261060	0	39	-1.0	-58.94	316.96	8.32	-50.62
C=CCC1(C(=O)[O-])CN(C2=NC(C(F)(F)F)=CS2)CCO1	REAL300011261061	0	33	-1.0	-46.89	298.56	5.70	-41.19
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C=C2S(C)(=O)=O)CCO1	REAL300011261062	0	42	-1.0	-46.77	349.43	5.75	-41.02
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=N2)CCO1	REAL300011261063	0	35	-1.0	-56.23	303.17	5.92	-50.31
C=CCC1(C(=O)[O-])CN(C2=NC(C(C)=O)=C(C)S2)CCO1	REAL300011261064	0	38	-1.0	-50.33	324.97	6.25	-44.08
C=CCC1(C(=O)[O-])CN(C2=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS2)CCO1	REAL300011261065	0	42	-1.0	-47.18	365.89	9.24	-37.94
C=CCC1(C(=O)[O-])CN(C2=NN=C(C3=CC=C(OC)C=C3)S2)CCO1	REAL300011261066	0	43	-1.0	-55.07	364.87	7.08	-47.99
C=CCC1(C(=O)[O-])CN(C2=CN=CC(OCCO)=N2)CCO1	REAL300011261067	0	40	-1.0	-52.91	328.54	0.73	-52.18
C=CCC1(C(=O)[O-])CN(C2=NC=NC3=CC=CC(F)=C32)CCO1	REAL300011261068	0	38	-1.0	-53.45	315.46	8.86	-44.59
C=CCC1(C(=O)[O-])CN(C2=CC=C(Cl)C(C#N)=N2)CCO1	REAL300011261069	0	34	-1.0	-49.29	304.97	6.39	-42.90
C=CCC1(C(=O)[O-])CN(C2=NC=NC=C2Br)CCO1	REAL300011261070	0	32	-1.0	-46.97	286.64	6.76	-40.21
C=CCC1(C(=O)[O-])CN(C2=NC(OC)=NC=C2Cl)CCO1	REAL300011261071	0	36	-1.0	-44.97	313.41	3.19	-41.78
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N(C)C)C=C2[N+](=O)[O-])CCO1	REAL300011261072	0	47	-1.0	-52.08	394.49	6.64	-45.44
C=CCC1(C(=O)[O-])CN(C2=C3C(C4=CC=CS4)=CSC3=NC=N2)CCO1	REAL300011261073	0	42	-1.0	-51.95	351.53	10.28	-41.67
C=CCC1(C(=O)[O-])CN(C2=C3C=C(CC)SC3=NC(C)=N2)CCO1	REAL300011261074	0	44	-1.0	-50.86	358.47	8.03	-42.83
C=CCC1(C(=O)[O-])CN(C2=NC3=CC=CC=C3C(C)=N2)CCO1	REAL300011261075	0	41	-1.0	-60.38	327.65	8.84	-51.54
C=CCC1(C(=O)[O-])CN(C2=CC(C(C)(C)C)=NC=N2)CCO1	REAL300011261076	0	44	-1.0	-49.44	343.28	8.12	-41.32
C=CCC1(C(=O)[O-])CN(C2=NC3=C(C=NN3C(C)(C)C)C(=O)N2)CCO1	REAL300011261077	0	48	-1.0	-47.87	379.81	9.58	-38.29
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=NC=CN=C32)CCO1	REAL300011261078	0	37	-1.0	-54.99	300.84	4.98	-50.01
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=C2N=CNC3=O)CCO1	REAL300011261079	0	38	-1.0	-56.05	310.82	5.48	-50.57
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=CC=C(C)C=C32)CCO1	REAL300011261080	0	42	-1.0	-54.98	337.78	9.37	-45.61
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=C(C)C=CC=C32)CCO1	REAL300011261081	0	42	-1.0	-54.73	334.36	9.25	-45.48
C=CCC1(C(=O)[O-])CN(C2=CC(CCCC)=NC=N2)CCO1	REAL300011261082	0	44	-1.0	-49.36	349.15	8.48	-40.88
C=CCC1(C(=O)[O-])CN(C2=CC=C(OC(F)F)C=N2)CCO1	REAL300011261083	0	37	-1.0	-58.27	307.60	5.64	-52.63
C=CCC1(C(=O)[O-])CN(C2=NC=CC3=CC=CC(C)=C32)CCO1	REAL300011261084	0	42	-1.0	-56.65	325.46	10.44	-46.21
C=CCC1(C(=O)[O-])CN(C2=NC3=NC=CC=C3C=N2)CCO1	REAL300011261085	0	37	-1.0	-57.96	305.73	7.58	-50.38
C=CCC1(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(OC(F)F)=C2)CCO1	REAL300011261086	0	40	-1.0	-50.63	334.21	7.60	-43.03
C=CCC1(C(=O)[O-])CN(C2=CC=NC(C3=CC=C(OC)C=C3)=N2)CCO1	REAL300011261087	0	46	-1.0	-56.12	372.16	8.50	-47.62
C=CCC1(C(=O)[O-])CN(C2=C3C=CSC3=NC(C3=CC=CC=N3)=N2)CCO1	REAL300011261088	0	44	-1.0	-63.75	371.42	8.47	-55.28
C=CCC1(C(=O)[O-])CN(C2=CC(OCC)=NC(C)=N2)CCO1	REAL300011261089	0	42	-1.0	-50.37	339.22	5.29	-45.08
C=CCC1(C(=O)[O-])CN(C2=NC3=C(C)C(Cl)=CC=C3C=C2)CCO1	REAL300011261090	0	42	-1.0	-58.39	348.39	9.56	-48.83
C=CCC1(C(=O)[O-])CN(C2=NC=CC(N3CC4=CC=CC=C4C3)=N2)CCO1	REAL300011261091	1	48	-1.0	-56.73	384.11	9.23	-47.50
C=CCC1(C(=O)[O-])CN(C2=CC(C3=CC=CC=C3)=NC3=CC=NN32)CCO1	REAL300011261092	0	46	-1.0	-50.90	365.78	11.48	-39.42
C=CCC1(C(=O)[O-])CN(C2=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS2)CCO1	REAL300011261093	0	42	-1.0	-51.97	368.21	9.25	-42.72
C=CCC1(C(=O)[O-])CN(C2=CC(C3CC3)=NC(C3CC3)=N2)CCO1	REAL300011261094	0	46	-1.0	-53.55	365.57	9.63	-43.92
C=CCC1(C(=O)[O-])CN(C2=CC=NC(CSC3=CC=CC=C3)=N2)CCO1	REAL300011261096	0	46	-1.0	-56.88	385.24	9.96	-46.92
C=CCC1(C(=O)[O-])CN(C2=NC(C)=CC(C(C)C)=N2)CCO1	REAL300011261097	0	44	-1.0	-54.66	347.44	7.86	-46.80
C=CCC1(C(=O)[O-])CN(C2=NC=CC(C3=CC=NN3C)=N2)CCO1	REAL300011261098	0	42	-1.0	-55.66	340.11	7.36	-48.30
C=CCC1(C(=O)[O-])CN(C2=CC(S(N)(=O)=O)=C(C)C=C2[N+](=O)[O-])CCO1	REAL300011261100	0	44	-1.0	-62.28	368.79	4.22	-58.06
C=CCC1(C(=O)[O-])CN(C2=NC=NC3=CC=C(C(C)C)C=C32)CCO1	REAL300011261101	0	47	-1.0	-51.75	371.01	10.30	-41.45
C=CCC1(C(=O)[O-])CN(C2=NC(C3CC3)=NC(C)=C2OC)CCO1	REAL300011261102	0	46	-1.0	-51.43	371.43	7.61	-43.82
C=CCC1(C(=O)[O-])CN(C2=NC3=CC(S(N)(=O)=O)=CC=C3N2)CCO1	REAL300011261103	0	42	-1.0	-55.59	356.71	2.12	-53.47
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCCC3)C=C2)CCO1	REAL300011261104	0	49	-1.0	-54.68	391.94	5.93	-48.75
C=CCC1(C(=O)[O-])CN(C2=NC=CN=C2C2=CC=CC=C2)CCO1	REAL300011261105	0	42	-1.0	-50.69	341.60	8.57	-42.12
C=CCC1(C(=O)[O-])CN(C2=CC=CC=C2S(=O)(=O)N(C)C)CCO1	REAL300011261106	0	45	-1.0	-56.55	353.17	6.15	-50.40
C=CCC1(C(=O)[O-])CN(C2=C3SC=CC3=NC=C2)CCO1	REAL300011261107	0	36	-1.0	-47.43	296.87	5.72	-41.71
C=CCC1(C(=O)[O-])CN(C2=CC=CC=C2S(=O)(=O)NC)CCO1	REAL300011261108	0	42	-1.0	-48.90	347.18	3.98	-44.92
C=CCC1(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCOCC3)C=C2)CCO1	REAL300011261109	0	50	-1.0	-54.82	398.37	4.36	-50.46
C=CCC1(C(=O)[O-])CN(C2=C3C=CSC3=CC=N2)CCO1	REAL300011261110	0	36	-1.0	-52.44	307.64	7.52	-44.92
C=CCC1(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=C2)CCO1	REAL300011261111	0	36	-1.0	-47.18	304.50	5.87	-41.31
C=CCC1(C(=O)[O-])CN(C2=CC=CN=C2C(F)(F)F)CCO1	REAL300011261112	0	36	-1.0	-54.54	304.27	7.17	-47.37
C=CCC1(C(=O)[O-])CN(C2=NN=NN2CC2=CC=CC=C2)CCO1	REAL300011261113	0	42	-1.0	-45.38	335.53	7.67	-37.71
C=CCC1(C(=O)[O-])CN(C2=NC=C(C(F)(F)F)C=C2C)CCO1	REAL300011261114	0	39	-1.0	-53.88	330.13	8.23	-45.65
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COC1=CC(CNC2=C(C(=O)[O-])N=NC3=CC=CC=C32)=CC=C1Cl	REAL300011261119	0	37	-1.0	-60.33	332.73	7.21	-53.12
COC1=CC(CNC2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300011261120	0	35	-1.0	-64.69	325.58	8.59	-56.10
COC1=CC(CNC2=C3C(C)=C(C(=O)[O-])SC3=NC(C)=N2)=CC=C1Cl	REAL300011261121	0	40	-1.0	-47.88	359.06	8.84	-39.04
COC1=CC(CNC2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)=CC=C1Cl	REAL300011261122	0	37	-1.0	-47.33	337.23	8.89	-38.44
COC1=CC(CNC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])=CC=C1Cl	REAL300011261123	0	38	-1.0	-53.44	347.87	2.71	-50.73
COC1=CC(CNC2=C(C(=O)[O-])C=NC3=C(OC)C=CC=C32)=CC=C1Cl	REAL300011261124	0	42	-1.0	-55.76	365.90	7.68	-48.08
COC1=CC(CNC2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261131	0	34	-1.0	-51.26	322.47	8.31	-42.95
COC1=CC(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261132	0	38	-1.0	-48.77	346.69	9.20	-39.57
COC1=CC(CNC2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])=CC=C1Cl	REAL300011261133	0	41	-1.0	-51.22	358.07	9.75	-41.47
COC1=CC(CNC2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1Cl	REAL300011261134	0	38	-1.0	-48.29	340.54	9.07	-39.22
COC1=CC(CNC2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261135	0	34	-1.0	-41.26	322.21	7.78	-33.48
COC1=CC(CNC2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261136	0	37	-1.0	-51.17	344.09	8.91	-42.26
COC1=CC(CNC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261137	0	34	-1.0	-41.39	321.34	7.79	-33.60
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COC1=CC(CNC2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261139	0	35	-1.0	-44.35	317.83	8.49	-35.86
COC1=CC(CNC2=CC=C(C(=O)[O-])C(C)=N2)=CC=C1Cl	REAL300011261140	0	35	-1.0	-49.54	313.97	7.22	-42.32
COC1=CC(CNC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261141	0	34	-1.0	-41.39	321.34	7.79	-33.60
COC1=CC(CNC2=NC=C(C(=O)[O-])C(C)=N2)=CC=C1Cl	REAL300011261142	0	34	-1.0	-42.64	307.42	7.79	-34.85
COC1=CC(CNC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])=CC=C1Cl	REAL300011261143	0	35	-1.0	-39.78	331.22	8.24	-31.54
COC1=CC(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300011261144	0	38	-1.0	-48.77	346.69	9.20	-39.57
COC1=CC(CNC2=NC(C)=CC=C2C(=O)[O-])=CC=C1Cl	REAL300011261145	0	35	-1.0	-47.49	312.34	7.75	-39.74
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COC1=CC=CC=C1C1=CC=C(C(C)N(C)C(=O)C(=O)[O-])C=C1	REAL300011487004	0	41	-1.0	-49.19	334.60	10.05	-39.14
CC(C)N(CCOC1=CC2=CC=C(Br)C=C2C=C1)C(=O)C(=O)[O-]	REAL300011487005	0	40	-1.0	-55.01	340.14	10.44	-44.57
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CC(CNC(=O)C(=O)[O-])OC1=CC=CC(Br)=C1	REAL300011487007	0	28	-1.0	-44.31	267.82	5.05	-39.26
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CCOC(=O)C1=CC=C(N2CCCN(C(=O)C(=O)[O-])CC2)N=C1	REAL300011487011	0	41	-1.0	-45.46	333.81	6.91	-38.55
CC1=CC=C(CN(C(=O)C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300011487012	0	41	-1.0	-50.09	315.79	10.73	-39.36
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CC1=CC(OC2=CC=C(CNC(=O)C(=O)[O-])C=C2C)=CC(C)=C1	REAL300011487019	0	41	-1.0	-44.77	352.02	9.19	-35.58
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CC1=CC(CNC(=O)C(=O)[O-])=CC=C1OC1=CC=C(Cl)C=C1Cl	REAL300011487021	0	35	-1.0	-42.02	339.89	8.77	-33.25
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CN(C(=O)C(=O)[O-])C1CCSC2=CC=C(Br)C=C21	REAL300011487023	0	29	-1.0	-46.40	268.32	8.66	-37.74
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COC(=O)CN1CCN(C2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487026	0	41	-1.0	-49.55	333.53	3.75	-45.80
CC(NC(=O)C(=O)[O-])C1=CC=CC=C1C1=CC=C(Cl)C=C1	REAL300011487027	0	34	-1.0	-45.80	307.10	9.03	-36.77
CC1=C(C(C)NC(=O)C(=O)[O-])SC(C2=CC=C(Br)C=C2)=N1	REAL300011487028	0	33	-1.0	-42.98	322.61	7.19	-35.79
O=C([O-])C(=O)N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL300011487030	0	34	-1.0	-44.06	284.12	8.34	-35.72
O=C([O-])C(=O)NCC1=CC=C(C(=O)NC2=CC=C(F)C=C2)C=C1	REAL300011487031	0	35	-1.0	-48.06	316.96	6.33	-41.73
COC(=O)C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)C(=O)[O-])CC1	REAL300011487032	0	39	-1.0	-44.37	333.41	6.88	-37.49
O=C([O-])C(=O)NCC(CO)CC1=CC=C(OC(F)(F)F)C=C1	REAL300011487033	0	35	-1.0	-47.39	310.63	3.41	-43.98
CC1=CC=CC(C(O)CN(CC2=CC=CC=C2)C(=O)C(=O)[O-])=C1	REAL300011487034	0	41	-1.0	-48.34	337.16	9.51	-38.83
CCN(C(=O)C(=O)[O-])C(C)C1=CC=C(C2=CC=CC(OC)=C2)C=C1	REAL300011487035	0	44	-1.0	-49.34	343.64	10.60	-38.74
CC(C)OC1=CC=C(C2=CC=CC(C(C)N(C)C(=O)C(=O)[O-])=C2)C=C1	REAL300011487036	0	47	-1.0	-49.01	368.79	11.47	-37.54
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC=CC3=C2N=S=N3)CC1	REAL300011487037	0	34	-1.0	-48.31	307.05	2.10	-46.21
CCN(CC)S(=O)(=O)C1=CC=C(C(C)NC(=O)C(=O)[O-])C=C1	REAL300011487038	0	41	-1.0	-46.81	352.98	4.79	-42.02
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300011487039	0	51	-1.0	-43.75	383.37	7.34	-36.41
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300011487040	0	30	-1.0	-43.88	299.94	3.48	-40.40
O=C([O-])C(=O)NCC(C1=C(C2=CC=CC=C2)NC2=CC=CC=C21)C1=CC=CC=C1	REAL300011487041	0	48	-1.0	-49.38	393.65	11.45	-37.93
CCN(CC1=CC=C(OCC2=CC=CS2)C(OC)=C1)C(=O)C(=O)[O-]	REAL300011487042	0	42	-1.0	-49.62	358.90	9.20	-40.42
CC1CCCN(S(=O)(=O)C2=CC=C(CNC(=O)C(=O)[O-])C=C2)C1	REAL300011487043	0	42	-1.0	-47.49	356.17	4.85	-42.64
COC1=CC(C(C)NC(=O)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300011487044	0	41	-1.0	-47.84	351.60	6.49	-41.35
COC(=O)CC(NC(=O)C(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300011487045	0	34	-1.0	-50.84	318.49	6.15	-44.69
CN(CCCCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)C(=O)[O-]	REAL300011487046	0	43	-1.0	-50.98	360.16	9.26	-41.72
CN(CCCCCC1=NNC(C2=CC=CC=C2)=C1)C(=O)C(=O)[O-]	REAL300011487046	1	43	-1.0	-50.50	358.85	9.24	-41.26
CSC1=NN=C(CCCNC(=O)C(=O)[O-])N1CC(C)C	REAL300011487048	0	39	-1.0	-48.46	339.77	7.03	-41.43
O=C([O-])C(=O)NCC1=CC=CC=C1OCC(=O)NCC1CCCO1	REAL300011487049	0	43	-1.0	-61.84	366.21	4.23	-57.61
CC(C)C1=C(C2=CC=CC=C2)N=C(C2CCCN2C(=O)C(=O)[O-])O1	REAL300011487050	0	43	-1.0	-57.02	353.91	7.46	-49.56
CC(C)N1C2=CC=CC=C2N=C1C1CCCN(C(=O)C(=O)[O-])C1	REAL300011487051	0	43	-1.0	-47.64	335.23	9.02	-38.62
COC1=CC=CC=C1C(NC(=O)C(=O)[O-])C1=CC=CC=C1Cl	REAL300011487052	0	35	-1.0	-47.66	302.83	7.45	-40.21
COC1=CC=CC(C(NC(=O)C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300011487053	0	35	-1.0	-48.28	315.67	8.12	-40.16
O=C([O-])C(=O)NCCOC1=NC=C(C(F)(F)F)C=C1Cl	REAL300011487054	0	27	-1.0	-44.88	281.31	2.83	-42.05
COC1=CC=CC=C1C(CNC(=O)C(=O)[O-])N1CCCCC1	REAL300011487055	1	43	-1.0	-46.28	335.09	6.35	-39.93
CCOC1=CC=C(OC2=CC(CNC(=O)C(=O)[O-])=CC=N2)C=C1	REAL300011487056	0	38	-1.0	-45.36	336.80	4.80	-40.56
O=C([O-])C(=O)NC(C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1	REAL300011487057	0	31	-1.0	-44.24	304.78	9.17	-35.07
CC(NC(=O)C(=O)[O-])C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300011487058	0	36	-1.0	-60.48	313.73	3.68	-56.80
CC(NC(=O)C(=O)[O-])C1=CC2=C(C=C1Br)OCCO2	REAL300011487059	0	30	-1.0	-45.80	276.86	4.74	-41.06
O=C([O-])C(=O)N1CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300011487060	0	32	-1.0	-45.23	281.68	5.19	-40.04
COC1=CC=CC(OC2=NC=CC=C2CNC(=O)C(=O)[O-])=C1	REAL300011487061	0	35	-1.0	-53.44	313.88	3.90	-49.54
O=C([O-])C(=O)NCC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300011487062	0	32	-1.0	-44.49	319.58	8.13	-36.36
CS(=O)(=O)C1=CC=CC(OC2=NC=CC=C2CNC(=O)C(=O)[O-])=C1	REAL300011487063	0	37	-1.0	-57.30	345.07	2.12	-55.18
CC1=CC=C(S(=O)(=O)NCCN(C)C(=O)C(=O)[O-])C=C1	REAL300011487064	0	35	-1.0	-51.98	311.68	3.26	-48.72
COC1=CC=C(C(NC(=O)C(=O)[O-])C2=CC=CC(S(C)(=O)=O)=C2)C=C1	REAL300011487065	0	41	-1.0	-50.89	362.80	4.99	-45.90
O=C([O-])C(=O)NCC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300011487066	0	30	-1.0	-45.61	302.25	6.01	-39.60
COC1=CC=CC(C(NC(=O)C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300011487067	0	39	-1.0	-49.56	331.32	6.69	-42.87
CC(CCC1=CC=C(Br)C=C1)NC(=O)C(=O)[O-]	REAL300011487069	0	30	-1.0	-43.92	282.77	7.41	-36.51
O=C([O-])C(=O)NCC1CCN(C2=CC=C(Br)C=C2)C1	REAL300011487070	0	33	-1.0	-43.06	296.25	5.30	-37.76
O=C([O-])C(=O)NCCC(=O)NC1=CC=C(Br)C=C1	REAL300011487071	0	28	-1.0	-50.00	275.29	3.86	-46.14
O=C([O-])C(=O)NC(CC1=CC=C(O)C=C1)C1=NC2=CC=CC=C2N1	REAL300011487072	0	38	-1.0	-60.47	326.89	4.94	-55.53
O=C([O-])C(=O)N1CCN(C(=O)C2=CC=C3NC=NC3=C2)CC1	REAL300011487073	0	35	-1.0	-49.79	287.69	5.16	-44.63
CN(CC(O)COC1=CC=CC=C1C(F)(F)F)C(=O)C(=O)[O-]	REAL300011487074	0	35	-1.0	-54.79	313.11	4.61	-50.18
COC(=O)CC(NC(=O)C(=O)[O-])C1=CC=CC(Br)=C1	REAL300011487075	0	30	-1.0	-45.84	283.89	6.52	-39.32
O=C([O-])C(=O)N1CCC2=C(C=CC=C2NC(=O)NC2=CC=CC=C2)C1	REAL300011487076	0	41	-1.0	-47.85	334.67	7.63	-40.22
O=C([O-])C(=O)N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300011487077	0	35	-1.0	-44.66	319.80	7.96	-36.70
CN(C(=O)C(=O)[O-])C(CO)C1=CC=CC(Br)=C1	REAL300011487078	0	28	-1.0	-48.03	256.28	4.52	-43.51
COC1=CC=C(OC2=CC=C(CCNC(=O)C(=O)[O-])C=C2)C=C1	REAL300011487080	0	39	-1.0	-45.95	338.43	7.15	-38.80
COC(=O)C1=CSC(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300011487081	0	36	-1.0	-49.20	334.38	3.42	-45.78
O=C([O-])C(=O)NCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300011487082	0	31	-1.0	-51.21	303.18	1.26	-49.95
O=C([O-])C(=O)N1CCCC(C2=NC(C3=CC=C(F)C=C3)=NO2)C1	REAL300011487083	0	36	-1.0	-45.72	311.95	6.35	-39.37
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NO1)C(=O)C(=O)[O-]	REAL300011487084	0	36	-1.0	-47.93	319.13	9.01	-38.92
O=C([O-])C(=O)N1CCCC(C2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300011487085	0	36	-1.0	-45.61	322.27	6.80	-38.81
O=C([O-])C(=O)N1CCC(C(=O)NC2=CC=CC=C2Br)CC1	REAL300011487086	0	35	-1.0	-48.25	305.40	6.62	-41.63
O=C([O-])C(=O)N1CCN(C(=O)C2=CC=C(Br)C=C2)CC1	REAL300011487087	0	32	-1.0	-42.12	285.04	6.28	-35.84
O=C([O-])C(=O)NC1CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300011487088	0	39	-1.0	-52.08	336.81	4.29	-47.79
COC1=CC=C(S(=O)(=O)N2CCC(NC(=O)C(=O)[O-])CC2)C=C1OC	REAL300011487089	0	44	-1.0	-51.74	371.80	2.78	-48.96
COC1=CC=C(C)C=C1NC(=O)C1CCCN1C(=O)C(=O)[O-]	REAL300011487090	0	39	-1.0	-59.98	321.82	5.66	-54.32
COCCNS(=O)(=O)C1=CC=CC(CNC(=O)C(=O)[O-])=C1	REAL300011487091	0	36	-1.0	-51.47	329.72	0.36	-51.11
CCC(CNC(=O)C(=O)[O-])OC1=CC=CC=C1C(F)(F)F	REAL300011487092	0	34	-1.0	-49.36	298.55	6.14	-43.22
O=C([O-])C(=O)N1CCCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300011487093	0	32	-1.0	-41.14	292.41	7.48	-33.66
COC(C)C1=NOC(CN2CCCN(C(=O)C(=O)[O-])CC2)=N1	REAL300011487094	0	41	-1.0	-53.05	326.54	1.37	-51.68
CCC(CC1=CC=CC=C1Br)NC(=O)C(=O)[O-]	REAL300011487095	0	30	-1.0	-45.45	270.58	6.87	-38.58
O=C([O-])C(=O)N1CCN(CC(=O)NC2=CC=C(Cl)C=C2)CC1	REAL300011487096	0	37	-1.0	-48.49	317.48	4.29	-44.20
O=C([O-])C(=O)N1CCOC(C2=CC=CC(OC(F)F)=C2)C1	REAL300011487097	0	33	-1.0	-45.06	284.35	5.11	-39.95
O=C([O-])C(=O)NCCOC1=CC=C(Br)C=C1C(F)(F)F	REAL300011487098	0	28	-1.0	-48.96	287.37	5.57	-43.39
O=C([O-])C(=O)N1CCOC(C2=CC=C(OC(F)F)C=C2)C1	REAL300011487099	0	33	-1.0	-45.13	284.34	5.12	-40.01
NC(=O)C1CCN(C(=O)C2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300011487100	0	42	-1.0	-56.25	323.07	2.51	-53.74
CC(C)(C)C1=NC(CN2CCN(C(=O)C(=O)[O-])CC2)=CS1	REAL300011487101	0	41	-1.0	-44.74	334.49	4.89	-39.85
O=C([O-])C(=O)NC1CC(=O)N(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300011487102	0	32	-1.0	-43.25	292.66	5.73	-37.52
COC(C)C1=NC(CN2CCCN(C(=O)C(=O)[O-])CC2)=CS1	REAL300011487103	0	42	-1.0	-51.09	342.39	4.70	-46.39
CC1=CC=C(CNC(=O)C2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300011487104	0	41	-1.0	-47.87	334.13	6.67	-41.20
COC1=CC=CC(C2=CNC(C3CCCN3C(=O)C(=O)[O-])=N2)=C1	REAL300011487106	0	39	-1.0	-47.88	322.21	6.85	-41.03
CCCN(C(=O)C1=CC=CS1)C1CCN(C(=O)C(=O)[O-])CC1	REAL300011487107	0	41	-1.0	-55.92	323.83	7.21	-48.71
COC1=CC2=C(CCN(C(=O)C(=O)[O-])CC2)C(OC)=C1OC	REAL300011487108	0	40	-1.0	-43.63	320.13	5.97	-37.66
O=C([O-])C(=O)NCC1=CC=CC(S(=O)(=O)NCC2=CC=CC(F)=C2)=C1	REAL300011487109	0	39	-1.0	-51.83	362.67	4.32	-47.51
O=C([O-])C(=O)NCC1(C2=CC=CC(Br)=C2)CCOCC1	REAL300011487110	0	35	-1.0	-43.92	297.60	5.91	-38.01
CC1=CC=C(C(=O)NC2=CC=CC(CNC(=O)C(=O)[O-])=C2)C=C1	REAL300011487111	0	38	-1.0	-47.37	332.20	6.92	-40.45
CC(NC(=O)C(=O)[O-])C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300011487112	0	35	-1.0	-48.72	311.81	3.09	-45.63
O=C([O-])C(=O)NCC1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300011487113	0	35	-1.0	-54.77	317.18	6.31	-48.46
O=C([O-])C(=O)NCC1=CC=CC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300011487114	0	35	-1.0	-56.19	316.91	6.32	-49.87
O=C([O-])C(=O)NCCC1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300011487115	0	39	-1.0	-52.50	341.84	5.55	-46.95
CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300011487116	0	39	-1.0	-47.18	325.63	2.23	-44.95
O=C([O-])C(=O)NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL300011487118	0	31	-1.0	-46.17	295.19	8.18	-37.99
O=C([O-])C(=O)NCC(O)COC1=CC=CC=C1Br	REAL300011487119	0	29	-1.0	-47.17	281.52	2.18	-44.99
O=C([O-])C(=O)N1CCCN(S(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300011487120	0	33	-1.0	-46.28	309.19	4.39	-41.89
O=C([O-])C(=O)N1CCN(CC2=CC=C(Br)C(F)=C2)CC1	REAL300011487121	0	33	-1.0	-44.41	293.97	5.97	-38.44
O=C([O-])C(=O)N1CCN(CC2=NC(=O)C3=C(N2)SC2=C3CCCC2)CC1	REAL300011487122	0	45	-1.0	-60.42	364.23	5.91	-54.51
CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)C(=O)[O-]	REAL300011487123	0	39	-1.0	-62.17	325.53	5.80	-56.37
CC1=CC=C(S(=O)(=O)N2CCC(NC(=O)C(=O)[O-])CC2)C=C1	REAL300011487124	0	39	-1.0	-48.13	334.96	4.21	-43.92
CCN(CC)S(=O)(=O)C1=CC=C(CNC(=O)C(=O)[O-])S1	REAL300011487125	0	35	-1.0	-47.40	328.33	3.12	-44.28
O=C([O-])C(=O)N1CCCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300011487126	0	35	-1.0	-42.65	296.35	6.34	-36.31
O=C([O-])C(=O)N1CCN(CC(=O)NCC2=CC=CC=C2)CC1	REAL300011487127	0	40	-1.0	-48.20	327.31	4.03	-44.17
COC1=CC=C(C2=NOC(CN3CCN(C(=O)C(=O)[O-])CC3)=N2)C=C1	REAL300011487128	0	42	-1.0	-46.36	348.44	3.53	-42.83
CC1=CC=C(C2=NOC(CN3CCN(C(=O)C(=O)[O-])CC3)=N2)C=C1	REAL300011487129	0	41	-1.0	-46.33	340.40	4.89	-41.44
O=C([O-])C(=O)NCC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300011487130	0	41	-1.0	-49.87	356.67	10.18	-39.69
NC1=NC(CN2CCN(C(=O)C(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300011487131	0	39	-1.0	-50.28	316.33	3.77	-46.51
CC1C2=CC3=C(C=C2C2(CCCC2)CN1C(=O)C(=O)[O-])OCCO3	REAL300011487132	0	44	-1.0	-48.76	333.86	8.27	-40.49
O=C([O-])C(=O)NC1CCN(CC(=O)NC2=CC=CC=C2)CC1	REAL300011487133	0	40	-1.0	-50.79	328.87	3.70	-47.09
COC1=CC=C(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300011487134	0	42	-1.0	-44.10	340.08	6.74	-37.36
COC1=CC=C(C(CC2=CC=C(F)C=C2)NC(=O)C(=O)[O-])C=C1	REAL300011487135	0	38	-1.0	-49.93	321.77	8.14	-41.79
COC1=CC=C(C(CC2=CC=CC=C2C)NC(=O)C(=O)[O-])C=C1OC	REAL300011487136	0	45	-1.0	-49.25	373.67	8.83	-40.42
O=C([O-])C(=O)NCC1=CC=C(OC2=CC=CC=C2C(F)(F)F)N=C1	REAL300011487137	0	34	-1.0	-47.99	319.63	5.46	-42.53
CC1=CC=CC(COC2=C(C)C=C(CN(C)C(=O)C(=O)[O-])C=C2C)=C1	REAL300011487138	0	47	-1.0	-48.74	389.41	11.77	-36.97
CC1=CC=C(COC2=C(C)C=C(CN(C)C(=O)C(=O)[O-])C=C2C)C=C1	REAL300011487139	0	47	-1.0	-48.75	389.41	11.78	-36.97
CCN(CC1=CC(C)=C(OCC2=CC=CC(C)=C2)C(C)=C1)C(=O)C(=O)[O-]	REAL300011487140	0	50	-1.0	-49.31	405.78	12.56	-36.75
CCN(CC1=CC(C)=C(OCC2=CC=C(C)C=C2)C(C)=C1)C(=O)C(=O)[O-]	REAL300011487141	0	50	-1.0	-49.30	405.78	12.57	-36.73
O=C([O-])C(=O)NC1CCN(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300011487142	0	33	-1.0	-42.36	293.06	5.10	-37.26
O=C([O-])C(=O)NCCOC1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300011487143	0	31	-1.0	-48.22	309.05	2.00	-46.22
O=C([O-])C(=O)NC1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1	REAL300011487144	0	29	-1.0	-42.36	276.19	5.27	-37.09
CC(CC1=CC(Br)=CC=C1F)NC(=O)C(=O)[O-]	REAL300011487145	0	27	-1.0	-46.90	261.58	6.81	-40.09
CCN(CC1=NC(=O)C2=CC(OC)=C(OC)C=C2N1)C(=O)C(=O)[O-]	REAL300011487147	0	40	-1.0	-65.12	334.40	4.91	-60.21
CC(C)C1=CC=C(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300011487148	0	42	-1.0	-44.86	346.13	5.59	-39.27
O=C([O-])C(=O)N1CCN(C2=NC=C(C(F)(F)F)C=C2Cl)CC1	REAL300011487149	0	32	-1.0	-42.27	298.89	5.83	-36.44
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300011487150	0	33	-1.0	-47.64	294.45	3.92	-43.72
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300011487151	0	33	-1.0	-44.44	307.21	4.29	-40.15
CC1=NOC(C)=C1S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300011487152	0	35	-1.0	-45.35	297.14	2.58	-42.77
COC1=CC(CN(C)C(=O)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300011487153	0	42	-1.0	-49.18	353.08	9.36	-39.82
O=C([O-])C(=O)NC1CCCC2=C1SC(C1=CC=C(F)C=C1)=N2	REAL300011487154	0	34	-1.0	-47.44	308.51	7.01	-40.43
O=C([O-])C(=O)NCC1CCN(CC2=CC=CC=C2Cl)CC1	REAL300011487155	1	39	-1.0	-44.72	329.52	6.25	-38.47
CCN1CCN(C2=CC=C(CNC(=O)C(=O)[O-])C=C2F)CC1	REAL300011487156	1	41	-1.0	-43.08	335.03	3.91	-39.17
CCOC1=CC=C(Br)C=C1CN(C(=O)C(=O)[O-])C1CC1	REAL300011487157	0	35	-1.0	-46.94	302.21	8.26	-38.68
O=C([O-])C(=O)NCC1=CC=CC=C1C1=CC=C(CN2C=CN=C2)C=C1	REAL300011487158	0	41	-1.0	-47.83	356.82	10.92	-36.91
COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C(=O)C(=O)[O-])C=C1	REAL300011487159	0	42	-1.0	-48.54	342.73	8.36	-40.18
CN(C(=O)C(=O)[O-])C1CCN(CC(=O)N2CCN(C)CC2)CC1	REAL300011487160	0	48	-1.0	-57.14	356.83	3.02	-54.12
O=C([O-])C(=O)N(CC1(C2=CC=C(Cl)C(Cl)=C2)CCC1)C1CC1	REAL300011487161	0	38	-1.0	-44.81	318.83	10.84	-33.97
COC1=CC=C(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(OC)=C1OC	REAL300011487162	0	44	-1.0	-49.66	360.70	5.24	-44.42
O=C([O-])C(=O)NCC1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2)C=C1	REAL300011487163	0	36	-1.0	-48.02	340.17	4.13	-43.89
O=C([O-])C(=O)NC1CCN(CC2=CC=C(Br)C=C2)CC1	REAL300011487164	0	36	-1.0	-43.76	314.63	5.55	-38.21
O=C([O-])C(=O)N1CCN(CCCC2=NC(C3=CC=CS3)=NO2)CC1	REAL300011487165	0	41	-1.0	-49.74	352.75	4.59	-45.15
CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C(=O)[O-]	REAL300011487166	0	38	-1.0	-49.56	332.43	2.87	-46.69
CN1C2=CC=CC=C2N=C1C(NC(=O)C(=O)[O-])C1=CC=CC=C1	REAL300011487167	0	37	-1.0	-58.36	314.10	8.17	-50.19
O=C([O-])C(=O)N(CC1=CC=CC=C1)CC(O)C1=CC=CS1	REAL300011487168	0	35	-1.0	-48.41	307.17	6.63	-41.78
O=C([O-])C(=O)NC(CCCCC1=CC=CC=C1)C1=CC=CC=C1	REAL300011487169	0	43	-1.0	-48.32	353.40	11.14	-37.18
CCOC1=CC=C(C(C)NC(=O)CCCNC(=O)C(=O)[O-])C=C1	REAL300011487170	0	44	-1.0	-50.01	370.17	5.22	-44.79
CC1=C(C2=CC=C(Cl)C=C2)N=C(C(C)NC(=O)C(=O)[O-])S1	REAL300011487171	0	33	-1.0	-44.81	315.91	6.87	-37.94
O=C([O-])C(=O)NC(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1	REAL300011487172	0	33	-1.0	-47.19	297.73	7.40	-39.79
CS(=O)(=O)NC1=CC=C(N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300011487173	0	38	-1.0	-50.51	315.94	1.70	-48.81
CCS(=O)(=O)C1=CC=C(N2CCC(NC(=O)C(=O)[O-])CC2)C=C1	REAL300011487175	0	42	-1.0	-50.80	351.55	3.26	-47.54
O=C([O-])C(=O)NCC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300011487176	0	35	-1.0	-45.18	313.70	7.68	-37.50
O=C([O-])C(=O)N(CCN1CCOCC1)CC1=C(Br)C=CS1	REAL300011487177	0	37	-1.0	-45.98	320.07	4.95	-41.03
CCCN1CCN(C2=CC=C(NC(=O)C(=O)[O-])C=C2Cl)CC1	REAL300011487178	1	41	-1.0	-40.27	341.57	5.27	-35.00
O=C([O-])C(=O)NC1=CC=C(CN2CCN(C3=CC=CC=N3)CC2)C=C1	REAL300011487179	1	44	-1.0	-47.20	356.92	5.87	-41.33
CCCCC(CC)COCC1=CC=CC(NC(=O)C(=O)[O-])=C1	REAL300011487181	0	46	-1.0	-44.23	368.63	9.50	-34.73
COC1=CC=C(COCC2=CC=CC(NC(=O)C(=O)[O-])=C2)C=C1	REAL300011487182	0	39	-1.0	-47.69	339.23	7.09	-40.60
CCCCCCCCOCC1=CC=CC(NC(=O)C(=O)[O-])=C1	REAL300011487183	0	46	-1.0	-44.33	378.81	9.45	-34.88
COC1=CC=C(COC2=CC=CC(F)=C2)C=C1NC(=O)C(=O)[O-]	REAL300011487184	0	36	-1.0	-51.61	318.28	6.81	-44.80
COC1=CC=C(C(=O)N2CCOCC2)C=C1NC(=O)C(=O)[O-]	REAL300011487185	0	37	-1.0	-48.59	307.48	2.98	-45.61
COC1=CC=C(C(=O)N2CCN(C)CC2)C=C1NC(=O)C(=O)[O-]	REAL300011487186	0	41	-1.0	-58.86	331.74	2.87	-55.99
O=C([O-])C(=O)N1CCCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300011487187	0	34	-1.0	-45.64	290.11	8.52	-37.12
COC1=CC=C(Br)C(CN(C)C(=O)C(=O)[O-])=C1	REAL300011487188	0	28	-1.0	-46.23	252.68	5.79	-40.44
CC1=CC(OCCN2CCNC2=O)=CC=C1NC(=O)C(=O)[O-]	REAL300011487189	0	38	-1.0	-53.37	320.40	3.85	-49.52
O=C([O-])C(=O)NCC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300011487190	0	37	-1.0	-44.68	324.63	7.43	-37.25
O=C([O-])C(=O)N(CC1=CC=CC(Br)=C1)CC1CC1	REAL300011487191	0	31	-1.0	-42.27	281.02	9.07	-33.20
O=C([O-])C(=O)N(CC1=CC=CC=C1C(F)(F)F)CC1CC1	REAL300011487192	0	34	-1.0	-46.02	295.00	9.95	-36.07
COC1=CC=C(CN(CCC2=CC=CC=N2)C(=O)C(=O)[O-])C=C1	REAL300011487193	0	40	-1.0	-55.00	336.41	8.39	-46.61
CC(=O)NCCN(CC1=CC=C(Cl)C=C1Cl)C(=O)C(=O)[O-]	REAL300011487194	0	34	-1.0	-53.93	317.13	6.22	-47.71
CN1C=C(CN(CC2=CC=C(Cl)C=C2)C(=O)C(=O)[O-])C=N1	REAL300011487195	0	34	-1.0	-44.93	307.61	8.28	-36.65
CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300011487196	0	43	-1.0	-45.03	346.24	4.12	-40.91
O=C([O-])C(=O)N(CCO)CC1=CC=C(Br)S1	REAL300011487197	0	25	-1.0	-49.58	246.30	4.34	-45.24
O=C([O-])C(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300011487198	0	40	-1.0	-57.15	326.27	8.74	-48.41
O=C([O-])C(=O)NCCOC1=CC=C(I)C=C1	REAL300011487199	0	25	-1.0	-44.58	256.39	4.97	-39.61
O=C([O-])C(=O)NCC1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300011487200	0	31	-1.0	-45.75	277.44	7.54	-38.21
O=C([O-])C(=O)N1CCC(C2=CC=CC=C2Br)CC1	REAL300011487201	0	31	-1.0	-43.53	268.97	8.04	-35.49
O=C([O-])C(=O)NC1=CC=CC(C2=CC=C(Br)C=C2)=C1	REAL300011487202	0	28	-1.0	-46.97	268.37	8.09	-38.88
O=C([O-])C(=O)N1CCCC1C1=CC(F)=CC(Br)=C1	REAL300011487203	0	28	-1.0	-46.64	265.15	8.26	-38.38
O=C([O-])C(=O)NC1CCN(C2=CC=CC=C2C(F)(F)F)C1	REAL300011487204	0	33	-1.0	-44.47	292.59	5.82	-38.65
CN(C)C(CNC(=O)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300011487205	1	35	-1.0	-44.57	306.94	5.09	-39.48
CC(=O)N1CCN(CC2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487206	0	40	-1.0	-49.50	323.84	4.35	-45.15
CCCOCC(CC1=CC=CC(Br)=C1)NC(=O)C(=O)[O-]	REAL300011487207	0	37	-1.0	-45.80	329.56	7.17	-38.63
O=C([O-])C(=O)N1CCC(C2=CC=CC(Br)=C2)CC1	REAL300011487208	0	31	-1.0	-43.22	272.60	8.17	-35.05
O=C([O-])C(=O)NC1CCN(C2=CC=CC=C2C(F)(F)F)C1=O	REAL300011487209	0	32	-1.0	-58.21	292.62	6.09	-52.12
O=C([O-])C(=O)NCC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300011487210	0	28	-1.0	-44.71	278.84	6.07	-38.64
O=C([O-])C(=O)NCC1=NC(C2=CC3=CC=CC=C3O2)=CS1	REAL300011487211	0	30	-1.0	-46.97	293.00	5.49	-41.48
CN(CCN1CCN(CC2=CC=CC=C2)CC1)C(=O)C(=O)[O-]	REAL300011487212	1	44	-1.0	-44.83	344.74	5.30	-39.53
CN1C=C(I)C(CNC(=O)C(=O)[O-])=N1	REAL300011487213	0	21	-1.0	-46.97	228.62	2.98	-43.99
CC1=CC(CNC(=O)C(F)(F)F)=CC(NC(=O)C(=O)[O-])=C1	REAL300011487214	1	31	-1.0	-45.38	295.63	4.13	-41.25
O=C([O-])C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1	REAL300011487215	1	39	-1.0	-46.19	325.95	4.28	-41.91
O=C([O-])C(=O)NC1CCC2=C1C=CC(F)=C2Br	REAL300011487216	0	25	-1.0	-42.61	248.49	6.14	-36.47
CC(C)(C)OC(=O)N1CC(C)(C)C1C1CCN(C(=O)C(=O)[O-])CC1	REAL300011487217	0	51	-1.0	-51.17	373.94	7.57	-43.60
COCCC(NC(=O)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300011487218	0	34	-1.0	-45.68	301.44	5.84	-39.84
O=C([O-])C(=O)NC(CC1=CC=CC=C1)C1=NC2=CC=CC=C2S1	REAL300011487219	0	36	-1.0	-58.16	320.74	8.80	-49.36
COC1=CC=C(Br)C=C1CC(CO)CNC(=O)C(=O)[O-]	REAL300011487220	0	35	-1.0	-44.80	307.94	4.76	-40.04
O=C([O-])C(=O)NCC(CO)CC1=CC=C(F)C(Br)=C1	REAL300011487221	0	31	-1.0	-44.17	290.66	4.25	-39.92
CC1=C(Br)C=CC=C1CC(CO)CNC(=O)C(=O)[O-]	REAL300011487222	0	34	-1.0	-44.50	298.42	4.43	-40.07
CCCOC1=C(OC)C=C(CCNC(=O)C(=O)[O-])C=C1OC	REAL300011487223	0	42	-1.0	-47.65	355.48	5.87	-41.78
O=C([O-])C(=O)NCC1(N2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300011487224	1	49	-1.0	-45.67	357.40	3.46	-42.21
CC(C)NS(=O)(=O)CC1=CC=C(CNC(=O)C(=O)[O-])C=C1	REAL300011487225	0	38	-1.0	-51.40	336.56	2.53	-48.87
CC1=CC=C(CC(CO)CNC(=O)C(=O)[O-])C=C1Br	REAL300011487226	0	34	-1.0	-47.07	304.08	4.80	-42.27
COC1=CC=C(CC(CO)CNC(=O)C(=O)[O-])C=C1Br	REAL300011487227	0	35	-1.0	-49.93	314.49	3.57	-46.36
O=C([O-])C(=O)NCC(CO)CC1=CC(Br)=CC=C1F	REAL300011487228	0	31	-1.0	-43.41	286.38	4.32	-39.09
O=C([O-])C(=O)NCC1(C2=CC=CC=C2Br)CCCCC1	REAL300011487230	0	37	-1.0	-45.81	294.98	7.88	-37.93
COC1=CC=C(Br)C(C(CO)N(C)C(=O)C(=O)[O-])=C1	REAL300011487231	0	32	-1.0	-49.50	277.35	3.46	-46.04
CCOC(=O)C1(C(=O)C2=CC=CC=C2)CCN(C(=O)C(=O)[O-])CC1	REAL300011487232	0	42	-1.0	-49.46	329.81	8.46	-41.00
CC(C1=CC=C(S(C)(=O)=O)C=C1)N1CCC(NC(=O)C(=O)[O-])CC1	REAL300011487233	1	45	-1.0	-51.63	371.27	3.58	-48.05
O=C([O-])C(=O)NCC1=C(Br)C=NC=C1Br	REAL300011487234	0	20	-1.0	-41.81	230.29	3.46	-38.35
O=C([O-])C(=O)N1CCC(CC2=CC=CC(I)=C2)C1	REAL300011487235	0	31	-1.0	-49.59	288.04	8.83	-40.76
O=C([O-])C(=O)N1CCC(C2=NC(C(F)(F)F)=CS2)CC1	REAL300011487236	0	30	-1.0	-43.17	278.74	5.69	-37.48
O=C([O-])C(=O)N1CCC2=C(F)C=CC(Br)=C2C1	REAL300011487237	0	25	-1.0	-43.24	236.28	6.91	-36.33
O=C([O-])C(=O)N1CCC(CC2=CC=C(Br)C=C2)C1	REAL300011487238	0	31	-1.0	-48.83	281.52	8.36	-40.47
O=C([O-])C(=O)N1CCN(C(C(=O)NCC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300011487239	0	50	-1.0	-52.07	393.82	6.83	-45.24
COC(=O)C1=CC=CC=C1CC1CCN(C(=O)C(=O)[O-])CC1	REAL300011487240	0	40	-1.0	-45.93	318.85	8.56	-37.37
CCOC1=CC=C(C(O)C2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300011487241	0	42	-1.0	-46.58	325.46	5.50	-41.08
COC(=O)N1CCN(C2=CC=C(NC(=O)C(=O)[O-])C=N2)CC1	REAL300011487242	0	37	-1.0	-45.85	311.39	3.45	-42.40
O=C([O-])C(=O)N1CCN(C(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300011487243	0	34	-1.0	-51.98	290.71	7.16	-44.82
O=C([O-])C(=O)N1CCN(CC2=CC=CC=C2)C2CCCCC21	REAL300011487244	1	43	-1.0	-45.71	318.76	7.13	-38.58
CC1CN(C(=O)C(=O)[O-])CC(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300011487245	0	35	-1.0	-44.53	300.26	7.43	-37.10
O=C([O-])C(=O)NCC1(C2=CC=C(Br)C=C2Cl)CC1	REAL300011487246	0	28	-1.0	-44.53	280.14	7.21	-37.32
CCN(CC(O)COC1=CC=C(CCOC)C=C1)C(=O)C(=O)[O-]	REAL300011487247	0	45	-1.0	-51.90	371.22	4.95	-46.95
CC(C1=CC=C(F)C=C1)N1CCCC(NC(=O)C(=O)[O-])C1=O	REAL300011487248	0	38	-1.0	-58.74	316.51	6.70	-52.04
COC1=CC(I)=CC=C1NC(=O)C(=O)[O-]	REAL300011487249	0	22	-1.0	-42.52	228.37	4.56	-37.96
CN(CC(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C(=O)[O-]	REAL300011487250	0	41	-1.0	-54.78	349.79	9.04	-45.74
O=C([O-])C(=O)N(CC1=CC=NC=C1)C1CCCN(CC2=CC=CC=C2)C1	REAL300011487252	1	48	-1.0	-48.30	368.28	8.25	-40.05
CC(C)(CNC(=O)C(=O)[O-])C1=CC=C(Br)C=C1Cl	REAL300011487253	0	30	-1.0	-44.33	277.06	6.96	-37.37
CN(CCN(C)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)C(=O)[O-]	REAL300011487254	0	37	-1.0	-53.13	319.83	1.90	-51.23
O=C([O-])C(=O)NC(CC1=CC=C(F)C=C1)C1COC2=CC=CC=C2O1	REAL300011487255	0	40	-1.0	-48.55	347.61	8.78	-39.77
O=C([O-])C(=O)N1CCCCC1CC1=CC=CC=C1Br	REAL300011487256	0	34	-1.0	-43.43	274.01	8.11	-35.32
O=C([O-])C(=O)NC(CO)C1=CC=C(Br)C(F)=C1	REAL300011487257	0	25	-1.0	-45.23	252.01	2.58	-42.65
O=C([O-])C(=O)N1CCC(C2=CC=CC(Cl)=C2Cl)CC1	REAL300011487258	0	31	-1.0	-42.37	279.89	8.30	-34.07
CC1(C)CN(C(=O)C(=O)[O-])CC(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300011487260	0	38	-1.0	-44.53	320.63	8.08	-36.45
O=C([O-])C(=O)NCCC(=O)NC1=CC(Cl)=CC(Cl)=C1	REAL300011487261	0	28	-1.0	-49.54	287.45	4.26	-45.28
O=C([O-])C(=O)NCCC1=CC=C(Br)C=C1Cl	REAL300011487262	0	24	-1.0	-43.35	255.27	6.04	-37.31
O=C([O-])C(=O)N1CCC(C2CC2NC(=O)OCC2=CC=CC=C2)CC1	REAL300011487263	0	46	-1.0	-49.36	377.72	7.81	-41.55
CNC(=O)C1=CC(OC2=CC=CC(NC(=O)C(=O)[O-])=C2)=CC=N1	REAL300011487264	0	35	-1.0	-52.06	314.99	3.45	-48.61
CC(NC(=O)C(=O)[O-])C1=CC=C(Br)C=C1OCCCO	REAL300011487265	0	35	-1.0	-47.25	319.55	3.50	-43.75
CN(CCOC1=CC=C(S(N)(=O)=O)C=C1)C(=O)C(=O)[O-]	REAL300011487266	0	33	-1.0	-52.01	297.30	0.82	-51.19
CC(C)CC1CN(CC2=CC=C(Cl)C=C2)CCN1C(=O)C(=O)[O-]	REAL300011487267	0	45	-1.0	-44.79	348.87	7.63	-37.16
O=C([O-])C(=O)NCCCS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300011487268	0	30	-1.0	-49.90	297.70	3.31	-46.59
O=C([O-])C(=O)NC1=CC=C(CC(=O)N2CCCC3=CC=CC=C32)C=C1	REAL300011487269	0	42	-1.0	-56.79	346.06	9.45	-47.34
O=C([O-])C(=O)NC1=CC=C(CC(=O)N2CCC3=CC=CC=C32)C=C1	REAL300011487270	0	39	-1.0	-52.82	329.81	8.69	-44.13
O=C([O-])C(=O)NC1=CC=C(CCN2N=NC(C3=CC=CC=C3)=N2)C=C1	REAL300011487271	0	39	-1.0	-48.72	348.49	8.14	-40.58
CC1=CC(C2CCCN2C(=O)C(=O)[O-])=CC=C1Br	REAL300011487272	0	31	-1.0	-47.40	276.92	8.77	-38.63
O=C([O-])C(=O)N1CCCC1C1=CC=C(Br)C(F)=C1	REAL300011487273	0	28	-1.0	-45.37	264.44	8.24	-37.13
O=C([O-])C(=O)N1CCC(COC2=CC=CC=C2C(F)(F)F)CC1	REAL300011487274	0	38	-1.0	-47.05	321.29	8.40	-38.65
O=C([O-])C(=O)N1CCN(C2=C(Cl)C=CC=C2Cl)CC1	REAL300011487275	0	30	-1.0	-44.46	270.01	6.16	-38.30
O=C([O-])C(=O)NC1CCN(C2=CC=CC(Br)=C2)C1	REAL300011487276	0	30	-1.0	-43.33	271.50	4.59	-38.74
CC1=CC=C(NC(=O)C(=O)[O-])C=C1OCC1=CC=CC(Cl)=C1	REAL300011487277	0	35	-1.0	-44.03	320.93	8.59	-35.44
COC1=CC=CC(COC2=CC=CC(NC(=O)C(=O)[O-])=C2C)=C1	REAL300011487278	0	39	-1.0	-46.77	330.78	7.59	-39.18
CN(CC1=CC=C(Br)C=C1Cl)C(=O)C(=O)[O-]	REAL300011487279	0	24	-1.0	-41.05	243.12	7.01	-34.04
O=C([O-])C(=O)NC1CSC2=CC=C(Br)C=C21	REAL300011487280	0	23	-1.0	-41.29	242.76	5.88	-35.41
O=C([O-])C(=O)NC1CCCC2=C1NC1=CC=C(Br)C=C12	REAL300011487281	0	32	-1.0	-43.11	291.97	6.83	-36.28
O=C([O-])C(=O)NCCNS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300011487282	0	29	-1.0	-49.12	291.81	1.10	-48.02
CC(C1=CC=CC(N2CCCS2(=O)=O)=C1)N(C)C(=O)C(=O)[O-]	REAL300011487283	0	39	-1.0	-67.61	320.71	5.03	-62.58
CC(C1=CC=C(N2CCCS2(=O)=O)C=C1)N(C)C(=O)C(=O)[O-]	REAL300011487284	0	39	-1.0	-56.64	322.98	5.51	-51.13
CCC(NC(=O)C(=O)[O-])C1=CC(F)=CC(Br)=C1	REAL300011487285	0	27	-1.0	-41.98	257.76	6.29	-35.69
O=C([O-])C(=O)NC(C1=CC(F)=CC(Br)=C1)C1CC1	REAL300011487286	0	28	-1.0	-41.74	265.97	7.65	-34.09
O=C([O-])C(=O)NC(CC1CC1)C1=CC(F)=CC(Br)=C1	REAL300011487287	0	31	-1.0	-42.92	298.23	8.50	-34.42
O=C([O-])C(=O)NC1=CN(C2=CC=CC=C2Br)N=C1	REAL300011487288	0	25	-1.0	-48.28	246.57	6.07	-42.21
COC1=CC=CC=C1COC1=CC=CC(NC(=O)C(=O)[O-])=C1C	REAL300011487289	0	39	-1.0	-45.66	327.02	7.70	-37.96
CCN1C2=CC=C(Br)C=C2N=C1CNC(=O)C(=O)[O-]	REAL300011487290	0	30	-1.0	-45.05	289.14	6.10	-38.95
CCN1C=C(C(O)CN(CC2=CC=CC=C2)C(=O)C(=O)[O-])C=N1	REAL300011487291	0	41	-1.0	-51.79	339.57	6.71	-45.08
COC1=CC=CC=C1C1=NC(C2CCN(C(=O)C(=O)[O-])CC2)=NO1	REAL300011487292	0	40	-1.0	-51.02	333.00	6.12	-44.90
COC(=O)C1=CSC(C2=CC=CC(CNC(=O)C(=O)[O-])=C2)=N1	REAL300011487293	0	33	-1.0	-46.24	319.29	5.66	-40.58
COC1=CC=C(Br)C(C(=O)NCCCNC(=O)C(=O)[O-])=C1	REAL300011487294	0	35	-1.0	-49.84	322.52	3.38	-46.46
O=C([O-])C(=O)N1CCOC2=CC=C(Br)C=C2C1	REAL300011487295	0	26	-1.0	-43.12	237.56	5.77	-37.35
O=C([O-])C(=O)NC1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300011487296	0	36	-1.0	-50.34	334.37	4.20	-46.14
COC1=CC=CC=C1C1=CSC(C2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300011487297	0	41	-1.0	-47.60	343.93	8.06	-39.54
CC(C)OC1=CC(Br)=CC(NC(=O)C(=O)[O-])=C1	REAL300011487298	0	28	-1.0	-41.44	263.50	5.52	-35.92
COC1=CC=C(CN2CCCN(C(=O)C(=O)[O-])CC2=O)C=C1	REAL300011487299	0	39	-1.0	-59.02	316.53	6.51	-52.51
CCOC1=CC=CC=C1CN1CCN(C(=O)C(=O)[O-])C(C)C1	REAL300011487300	0	43	-1.0	-44.37	331.90	5.78	-38.59
CC1=CC(Br)=CC(C)=C1N1CCCC(NC(=O)C(=O)[O-])C1=O	REAL300011487301	0	38	-1.0	-56.29	335.28	8.35	-47.94
CC1=CC(Br)=CC(C)=C1N1CCCC(NC(=O)C(=O)[O-])C1	REAL300011487302	0	39	-1.0	-43.54	324.77	7.21	-36.33
O=C([O-])C(=O)NCC1CCCN1CC1=CC=C(I)C=C1	REAL300011487303	0	36	-1.0	-43.43	326.37	6.10	-37.33
COC1=CC(OC)=C(NC(=O)C(=O)[O-])C=C1Br	REAL300011487304	0	26	-1.0	-47.18	251.28	3.43	-43.75
CCC(CC1=CC=CC=C1Br)N(C)C(=O)C(=O)[O-]	REAL300011487305	0	33	-1.0	-46.83	286.56	9.11	-37.72
O=C([O-])C(=O)N1CCCC1C1=NC(C2=CC=CC=C2Br)=NO1	REAL300011487306	0	33	-1.0	-54.51	305.88	6.62	-47.89
O=C([O-])C(=O)NC1CCN(C2=CC=C(Cl)C=C2Cl)C1	REAL300011487307	0	30	-1.0	-41.84	288.06	5.50	-36.34
CN(CC1=CC(Br)=CC=C1Cl)C(=O)C(=O)[O-]	REAL300011487308	0	24	-1.0	-43.62	242.93	6.99	-36.63
O=C([O-])C(=O)NC(CC1=CC=CC(Br)=C1)CC1CC1	REAL300011487309	0	34	-1.0	-48.96	305.73	8.72	-40.24
O=C([O-])C(=O)NCC1=CC=C(N2CCCS2(=O)=O)C(F)=C1	REAL300011487310	0	33	-1.0	-56.76	308.12	3.00	-53.76
O=C([O-])C(=O)N1CCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300011487311	0	28	-1.0	-41.79	268.09	3.43	-38.36
O=C([O-])C(=O)NCC1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300011487312	0	31	-1.0	-44.36	288.73	7.09	-37.27
O=C([O-])C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1	REAL300011487313	0	38	-1.0	-62.66	324.33	7.85	-54.81
CC1=CC(C2CCN(C(=O)C(=O)[O-])CC2)=CC=C1Br	REAL300011487314	0	34	-1.0	-43.92	290.77	8.72	-35.20
CN(CC1=CSC=N1)CC1=CC=CC(NC(=O)C(=O)[O-])=C1	REAL300011487315	0	35	-1.0	-48.00	311.35	4.53	-43.47
O=C([O-])C(=O)NCC1=CC(Br)=CC=C1Br	REAL300011487316	0	21	-1.0	-42.75	238.47	5.35	-37.40
O=C([O-])C(=O)NCC(=O)NC1=CC=C(I)C=C1	REAL300011487317	0	25	-1.0	-46.57	259.65	3.72	-42.85
COC(=O)C(CNC(=O)C(=O)[O-])OC1=CC=C(Br)C=C1	REAL300011487318	0	31	-1.0	-44.87	303.49	5.78	-39.09
O=C([O-])C(=O)N1CCCC(NC(=O)CCCC2=CC=CC=C2)C1	REAL300011487319	0	44	-1.0	-58.05	357.03	7.77	-50.28
O=C([O-])C(=O)NCC1(C2=CC=C(Br)S2)CCC1	REAL300011487320	0	28	-1.0	-43.89	275.81	6.63	-37.26
O=C([O-])C(=O)N1CCOC(C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300011487321	0	33	-1.0	-42.24	291.09	5.32	-36.92
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCNC(=O)C(=O)[O-]	REAL300011487322	0	32	-1.0	-46.88	306.39	1.99	-44.89
O=C([O-])C(=O)N1CCN(C2=CC=C(C(F)(F)F)C=C2Cl)CC1	REAL300011487323	0	33	-1.0	-41.39	301.45	7.05	-34.34
CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)[O-])CC1	REAL300011487324	0	36	-1.0	-51.17	297.84	3.05	-48.12
O=C([O-])C(=O)NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300011487325	0	32	-1.0	-48.94	300.87	7.84	-41.10
O=C([O-])C(=O)NC1=CC=C(OCC2=NOC(C3CC3)=N2)C=C1	REAL300011487326	0	34	-1.0	-48.84	307.34	4.39	-44.45
CS(=O)(=O)N1CCN(C2=CC=C(NC(=O)C(=O)[O-])C=N2)CC1	REAL300011487327	0	37	-1.0	-50.78	317.82	1.22	-49.56
O=C([O-])C(=O)NC1=CC=CC(OC2=CC=NC3=CC=CC=C32)=C1	REAL300011487328	0	34	-1.0	-45.06	303.76	7.39	-37.67
CC1=NN(CC(C)C)C(Cl)=C1C1CCCN1C(=O)C(=O)[O-]	REAL300011487329	0	40	-1.0	-51.41	331.97	8.67	-42.74
CC1(C2=CC=C(Br)C=C2)CCN(C(=O)C(=O)[O-])CC1	REAL300011487330	0	34	-1.0	-43.91	281.67	8.26	-35.65
O=C([O-])C(=O)N1CCCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300011487331	0	34	-1.0	-42.37	282.80	8.22	-34.15
O=C([O-])C(=O)NC1=CC=C(OCC(F)(F)F)C(C(F)(F)F)=C1	REAL300011487332	0	28	-1.0	-41.73	281.24	5.83	-35.90
COC1=CC=C(C2=CC(NC(=O)C(=O)[O-])=CC=C2OC(F)F)C=C1	REAL300011487334	0	36	-1.0	-47.83	320.04	6.69	-41.14
O=C([O-])C(=O)N1CCN(CC2=CC(Br)=CC=C2F)CC1	REAL300011487335	0	33	-1.0	-43.42	295.60	5.99	-37.43
O=C([O-])C(=O)N1CCC(F)(C2=CC=CC=C2OC(F)(F)F)CC1	REAL300011487336	0	35	-1.0	-44.42	295.02	7.54	-36.88
O=C([O-])C(=O)N1CCC(F)(C2=CC=CC=C2C(F)(F)F)CC1	REAL300011487337	0	34	-1.0	-45.65	280.06	8.13	-37.52
O=C([O-])C(=O)NCCCNS(=O)(=O)C1=CC=CC=C1Cl	REAL300011487338	0	32	-1.0	-50.20	298.18	1.42	-48.78
O=C([O-])C(=O)NCCNS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300011487339	0	29	-1.0	-47.47	289.97	0.85	-46.62
O=C([O-])C(=O)NCCNS(=O)(=O)C1=CC=C(F)C=C1F	REAL300011487340	0	29	-1.0	-47.66	279.62	0.40	-47.26
O=C([O-])C(=O)NC1COC2=CC(F)=C(Br)C=C21	REAL300011487341	0	23	-1.0	-38.99	239.49	4.10	-34.89
CC(=O)NCCN(CC1=CC=C(Br)S1)C(=O)C(=O)[O-]	REAL300011487342	0	31	-1.0	-53.00	302.50	5.16	-47.84
O=C([O-])C(=O)N1CCN(CC2=NC(=O)C3=CC=CC=C3N2)CC1	REAL300011487343	0	38	-1.0	-62.26	312.05	4.15	-58.11
O=C([O-])C(=O)NC1=CC=C(OCC2=CC=CC=C2)C(Br)=C1	REAL300011487344	0	32	-1.0	-46.31	304.54	8.00	-38.31
CCCCS(=O)(=O)NC1=CC=C(NC(=O)C(=O)[O-])C=C1	REAL300011487345	0	35	-1.0	-49.97	310.93	3.23	-46.74
O=C([O-])C(=O)NC1=CC=CC(COCCOC2=CC=CC=C2)=C1	REAL300011487346	0	39	-1.0	-48.42	339.65	7.55	-40.87
CC1=CC=CC(N2CCN(CC3=CC=C(NC(=O)C(=O)[O-])C=C3)CC2)=C1	REAL300011487347	1	48	-1.0	-46.66	380.63	7.12	-39.54
O=C([O-])C(=O)NC1=CC=CC(COC2=CC=C3OCOC3=C2)=C1	REAL300011487348	0	35	-1.0	-48.27	309.94	5.99	-42.28
CCOC(=O)C1=CSC(C2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300011487349	0	36	-1.0	-45.28	316.47	6.20	-39.08
COCCS(=O)(=O)C1=CC=C(CNC(=O)C(=O)[O-])C=C1	REAL300011487350	0	34	-1.0	-49.83	314.55	1.74	-48.09
O=C([O-])C(=O)NCC(CO)CC1=CC=CC(Br)=C1	REAL300011487351	0	31	-1.0	-43.28	284.95	4.21	-39.07
O=C([O-])C(=O)NCC(CO)CC1=CC=C(Br)C=C1	REAL300011487352	0	31	-1.0	-43.65	284.96	4.22	-39.43
O=C([O-])C(=O)NCC(CO)CC1=CC=CC=C1Br	REAL300011487353	0	31	-1.0	-47.78	282.19	4.08	-43.70
O=C([O-])C(=O)N1CCC(O)(C2=CC=CC=C2C(F)(F)F)CC1	REAL300011487354	0	35	-1.0	-44.31	280.24	5.66	-38.65
O=C([O-])C(=O)NC1=CC=CC(SC2=CC=C(Cl)C=C2)=C1	REAL300011487355	0	29	-1.0	-45.00	289.95	8.67	-36.33
CCOC1=CC(N2CCN(C(=O)C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011487356	0	39	-1.0	-45.19	319.32	6.58	-38.61
CCOC1=CC(N2CCN(C)CC2)=CC=C1NC(=O)C(=O)[O-]	REAL300011487357	1	42	-1.0	-46.88	331.65	3.07	-43.81
CC(C)C(NC(=O)C(=O)[O-])C(=O)N(C)CC1=NN=C2CCCN12	REAL300011487358	0	43	-1.0	-52.29	340.76	6.26	-46.03
O=C([O-])C(=O)N1CCN(C2=CC=CC(Br)=C2)CC1	REAL300011487359	0	30	-1.0	-42.64	263.65	5.66	-36.98
CCOC(=O)C1=CC(NC(=O)C(=O)[O-])=CC=C1SC1=CC=CC=C1	REAL300011487361	0	38	-1.0	-46.40	344.32	9.51	-36.89
CN(CC1=CC=CC(Br)=C1OCC1CCCO1)C(=O)C(=O)[O-]	REAL300011487362	0	39	-1.0	-47.08	339.99	7.64	-39.44
O=C([O-])C(=O)NC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1	REAL300011487363	0	38	-1.0	-62.71	324.11	7.86	-54.85
O=C([O-])C(=O)N1CCC(C2=C(Cl)C=CC=C2Cl)CC1	REAL300011487364	0	31	-1.0	-45.21	272.03	8.10	-37.11
O=C([O-])C(=O)NC1=CN=C(N2CCOCC2)C(Br)=C1	REAL300011487365	0	30	-1.0	-40.50	278.54	3.02	-37.48
CCOC(=O)C1=NNC(C2=CC=CC(CNC(=O)C(=O)[O-])=C2)=N1	REAL300011487366	0	36	-1.0	-54.96	331.14	5.84	-49.12
CCC1CC2=C(Br)C=CC=C2CN1C(=O)C(=O)[O-]	REAL300011487367	0	31	-1.0	-42.76	261.20	7.85	-34.91
O=C([O-])C(=O)NCC1=CC=C(Cl)C=C1I	REAL300011487368	0	21	-1.0	-42.21	239.64	5.70	-36.51
O=C([O-])C(=O)NC1CCN(CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300011487369	0	42	-1.0	-48.66	350.75	3.78	-44.88
COC1=CC=CC=C1C1=CSC(C2CCCN(C(=O)C(=O)[O-])C2)=N1	REAL300011487370	0	41	-1.0	-50.62	343.45	7.95	-42.67
O=C([O-])C(=O)NCC1=CC=C(I)C=C1Cl	REAL300011487371	0	21	-1.0	-42.49	240.89	5.75	-36.74
CCOC(=O)C1=NN(C2=CC=CC(CNC(=O)C(=O)[O-])=C2)C=C1	REAL300011487372	0	37	-1.0	-53.30	334.88	7.02	-46.28
O=C([O-])C(=O)NCC1(C2=CC=CC=C2Br)CCC1	REAL300011487373	0	31	-1.0	-44.71	272.98	7.06	-37.65
O=C([O-])C(=O)NC1=CC=C(NS(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300011487374	0	39	-1.0	-52.19	352.39	3.03	-49.16
O=C([O-])C(=O)NC1=CC=C(OC(F)F)C(CC2=CC=CC=C2)=C1	REAL300011487376	0	35	-1.0	-47.78	311.51	8.17	-39.61
O=C([O-])C(=O)NC1=CC=C(NC(=O)CN2CCOCC2)C=C1	REAL300011487377	0	38	-1.0	-48.81	316.39	1.72	-47.09
O=C([O-])C(=O)NC1=CC=C(NC(=O)NCC2CCCO2)C=C1	REAL300011487378	0	38	-1.0	-53.03	322.11	2.73	-50.30
O=C([O-])C(=O)NC1=CC=C(N2CCC3=C(C=CS3)C2)N=C1	REAL300011487379	0	33	-1.0	-43.12	289.52	5.55	-37.57
CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)C(=O)[O-]	REAL300011487380	0	34	-1.0	-45.46	335.81	9.28	-36.18
COC1CCN(C2=CC=C(NC(=O)C(=O)[O-])C=C2C(F)(F)F)CC1	REAL300011487382	0	40	-1.0	-40.62	339.64	6.19	-34.43
CC1=CC(OCC2=CC=CC(F)=C2)=CC=C1NC(=O)C(=O)[O-]	REAL300011487383	0	35	-1.0	-45.13	309.05	8.29	-36.84
O=C([O-])C(=O)NC1=CC=C(OCC2=CC=CC(F)=C2)C(F)=C1	REAL300011487384	0	32	-1.0	-48.34	296.78	7.47	-40.87
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1NC(=O)C(=O)[O-]	REAL300011487385	0	35	-1.0	-44.62	319.37	8.73	-35.89
O=C([O-])C(=O)NC1=CC=C(OCC2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300011487386	0	35	-1.0	-46.46	322.88	8.32	-38.14
CC1=NC(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CS1	REAL300011487387	0	32	-1.0	-46.66	294.55	1.35	-45.31
NC(=O)CN(CC1=CC=CC=C1)C1=CC=CC(NC(=O)C(=O)[O-])=C1	REAL300011487388	0	40	-1.0	-52.28	339.57	5.51	-46.77
CCS(=O)(=O)N1CCC(C(C)N(C)C(=O)C(=O)[O-])CC1	REAL300011487389	0	41	-1.0	-58.18	325.00	4.73	-53.45
CCC(CN(C)C(=O)C(=O)[O-])OC1=CC=C(Cl)C(Cl)=C1	REAL300011487390	0	34	-1.0	-50.63	306.56	8.22	-42.41
CC(CN(C)C(=O)C(=O)[O-])OC1=CC=C(Cl)C(Cl)=C1	REAL300011487391	0	31	-1.0	-50.67	292.40	8.04	-42.63
CC1=CC(NC(=O)C(=O)[O-])=NN1CCCOC1=CC=C(F)C=C1	REAL300011487392	0	38	-1.0	-50.01	334.53	7.56	-42.45
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CS(=O)(=O)C1=CC=C(CNC(=O)C(=O)[O-])C=C1C(F)(F)F	REAL300011487396	0	30	-1.0	-49.56	287.89	3.15	-46.41
COC(=O)C1=CC=C2NC3=C(CN(C(=O)C(=O)[O-])CC3)C2=C1	REAL300011487397	0	35	-1.0	-54.58	299.24	6.98	-47.60
CS(=O)(=O)C1=CC=CC=C1N1C=C(NC(=O)C(=O)[O-])C=N1	REAL300011487398	0	31	-1.0	-52.90	277.78	3.75	-49.15
O=C([O-])C(=O)NC1=CC=C(CNC(=O)C2=CC=C(Br)C=C2)C=C1	REAL300011487399	0	35	-1.0	-45.94	332.04	6.80	-39.14
CC(SC1=CC=CC=C1)C1=CC=C(NC(=O)C(=O)[O-])C=C1	REAL300011487400	0	35	-1.0	-45.84	308.28	9.33	-36.51
O=C([O-])C(=O)NC1CCCC2=C1N=C(C1=CC=C(F)C=C1)S2	REAL300011487401	0	34	-1.0	-55.32	310.23	7.20	-48.12
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CC(C)(C)C1=CC=C(C2CCC(NC(=O)C(=O)[O-])CC2)C=C1	REAL300011487403	0	46	-1.0	-44.60	354.50	9.69	-34.91
COC(=O)C[C@@H](NC(=O)C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300011487404	0	36	-1.0	-49.27	305.16	7.86	-41.41
COC(=O)C[C@H](NC(=O)C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300011487405	0	36	-1.0	-53.61	318.47	8.56	-45.05
O=C([O-])C(=O)N1CCCC(CC2=CSC3=CC=CC=C23)C1	REAL300011487407	0	37	-1.0	-49.58	309.59	9.66	-39.92
O=C([O-])C(=O)NC1CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C1	REAL300011487408	0	35	-1.0	-45.32	312.76	6.78	-38.54
COC(=O)CC(NC(=O)C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300011487409	0	36	-1.0	-50.08	308.51	8.17	-41.91
COC1=CC(N2CCS(=O)(=O)CC2)=CC=C1NC(=O)C(=O)[O-]	REAL300011487410	0	37	-1.0	-54.23	312.07	0.87	-53.36
O=C([O-])C(=O)N1CCCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300011487412	0	31	-1.0	-40.46	285.25	4.75	-35.71
CN(CC1=CC=CC(Br)=C1OCCS(C)(=O)=O)C(=O)C(=O)[O-]	REAL300011487413	0	37	-1.0	-54.15	347.11	5.42	-48.73
O=C([O-])C(=O)NCC1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300011487414	0	31	-1.0	-44.54	299.93	7.77	-36.77
O=C([O-])C(=O)NC1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300011487415	0	31	-1.0	-47.15	295.20	6.09	-41.06
CN(CC1=CC=CC(NC(=O)C(=O)[O-])=C1)C(=O)C(F)(F)F	REAL300011487416	0	31	-1.0	-46.10	287.98	5.52	-40.58
CN(CCC(OC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC=C1)C(=O)C(=O)[O-]	REAL300011487417	0	44	-1.0	-44.98	382.03	11.34	-33.64
CCS(=O)(=O)NC1=CC=C(NC(=O)C(=O)[O-])C=C1OC	REAL300011487418	0	33	-1.0	-45.19	295.93	1.04	-44.15
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CCC1=NN=C(NC(=O)C(C)C(C)NC(=O)C(=O)[O-])S1	REAL300011487420	1	35	-1.0	-56.99	312.66	3.76	-53.23
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CN1CCN(C(=O)CC2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487423	0	40	-1.0	-52.09	329.40	4.52	-47.57
COC1=CC(NC(=O)C(=O)[O-])=CC(OC)=C1Br	REAL300011487424	0	26	-1.0	-41.46	251.38	3.38	-38.08
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CC1=CC=C(NC(=O)C(=O)[O-])C=C1OC1=NC=CC=C1Br	REAL300011487427	0	31	-1.0	-51.32	298.83	5.55	-45.77
COCCN(C)S(=O)(=O)C1CCCN(C(=O)C(=O)[O-])C1	REAL300011487428	0	39	-1.0	-44.55	316.18	1.92	-42.63
O=C([O-])C(=O)NC1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300011487429	0	29	-1.0	-58.04	275.65	5.29	-52.75
O=C([O-])C(=O)N1CCC(C2=CC=C(Br)C=C2)CC1	REAL300011487430	0	31	-1.0	-43.15	272.17	8.04	-35.11
O=C([O-])C(=O)NC1CCN(C(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300011487431	0	38	-1.0	-50.08	325.73	6.44	-43.64
COC(=O)C1=CC=C(CNC(=O)C(=O)[O-])C(Br)=C1	REAL300011487432	0	27	-1.0	-45.84	271.93	5.38	-40.46
COC1=CC=CC(CN(C)C(=O)C(=O)[O-])=C1OCC1=CC=CC=C1F	REAL300011487433	0	42	-1.0	-49.48	356.13	10.27	-39.21
O=C([O-])C(=O)NCC1=CC=C(OC2=CC=CC3=CC=CC=C32)C=C1	REAL300011487434	0	38	-1.0	-45.28	333.42	9.43	-35.85
O=C([O-])C(=O)NCC1=CC=C(OC2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300011487435	0	32	-1.0	-42.66	320.87	8.11	-34.55
CC(CCNS(=O)(=O)C1=CC=CC=C1)NC(=O)C(=O)[O-]	REAL300011487436	0	35	-1.0	-49.95	316.22	2.35	-47.60
COC1=CC(OC)=CC(C2(F)CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300011487437	0	39	-1.0	-45.83	313.57	6.08	-39.75
O=C([O-])C(=O)NC(C1=CC=CC(C(F)(F)F)=C1)C1CCOCC1	REAL300011487438	0	38	-1.0	-44.47	318.75	6.53	-37.94
O=C([O-])C(=O)NC1=CC=C2SCC(=O)N(CC(F)F)C2=C1	REAL300011487439	0	30	-1.0	-45.77	278.76	5.70	-40.07
O=C([O-])C(=O)NC1=CC=C2SCCN(CC(F)F)C2=C1	REAL300011487440	0	31	-1.0	-44.20	275.17	5.55	-38.65
CS(=O)(=O)C1=CC(CNC(=O)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300011487441	0	30	-1.0	-51.23	298.48	2.76	-48.47
COC1=CC(OC)=CC(OC2=CC=C(CNC(=O)C(=O)[O-])C=C2)=C1	REAL300011487442	0	40	-1.0	-47.17	348.12	5.77	-41.40
COCCC(NC(=O)C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300011487443	0	31	-1.0	-44.64	294.01	5.85	-38.79
CN(C)S(=O)(=O)C1=CC=CC2=C1CCN(C(=O)C(=O)[O-])C2	REAL300011487444	0	36	-1.0	-52.18	301.67	4.64	-47.54
O=C([O-])C(=O)N1CCC2=C(Br)C=CC([N+](=O)[O-])=C2C1	REAL300011487445	0	27	-1.0	-48.53	252.49	7.20	-41.33
CC1(C2CC2)NC(=O)N(C2=CC=C(CNC(=O)C(=O)[O-])C=C2)C1=O	REAL300011487446	0	40	-1.0	-48.50	338.46	5.67	-42.83
O=C([O-])C(=O)N1CCCC(C(O)C2=CC=C(Br)C=C2)C1	REAL300011487447	0	35	-1.0	-45.86	301.57	5.79	-40.07
O=C([O-])C(=O)NCC1=CC=CC(C2=NC(CC(F)(F)F)=NO2)=C1	REAL300011487448	0	32	-1.0	-46.68	311.66	4.48	-42.20
O=C([O-])C(=O)NC1=CC=CC(NS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300011487449	0	36	-1.0	-60.22	331.19	4.60	-55.62
CC1CN(C2=CC=C(Cl)C(F)=C2)CCN1C(=O)C(=O)[O-]	REAL300011487450	0	33	-1.0	-42.83	283.70	6.11	-36.72
O=C([O-])C(=O)NC1=CC=C2C(=C1)CCN2C(=O)C1=CC=CN=C1	REAL300011487451	0	35	-1.0	-49.35	297.76	5.95	-43.40
O=C([O-])C(=O)NC(CO)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300011487452	0	28	-1.0	-43.53	269.55	3.01	-40.52
COC1=CC=C(NC(=O)C(=O)[O-])C=C1NC(=O)C1CCCCC1	REAL300011487453	0	42	-1.0	-56.40	337.91	5.73	-50.67
CC1=CC(CNC(=O)C(=O)[O-])=CC=C1I	REAL300011487454	0	24	-1.0	-41.68	244.07	5.87	-35.81
COC1=CC(I)=C(Cl)C=C1CNC(=O)C(=O)[O-]	REAL300011487455	0	25	-1.0	-43.39	269.32	5.11	-38.28
COCC1(CNC(=O)C(=O)[O-])CCCN1C(=O)OC(C)(C)C	REAL300011487456	0	45	-1.0	-53.48	350.04	5.72	-47.76
CN(CCNC(=O)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300011487457	0	32	-1.0	-50.22	301.57	2.50	-47.72
CN(CC1=CN(C2=CC=CC(Br)=C2)N=N1)C(=O)C(=O)[O-]	REAL300011487458	0	30	-1.0	-56.38	288.21	6.69	-49.69
O=C([O-])C(=O)NC(CO)C1=CC=C(Br)C=C1C(F)(F)F	REAL300011487459	0	28	-1.0	-43.38	274.11	3.11	-40.27
CN(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)C(=O)[O-]	REAL300011487461	0	30	-1.0	-43.90	290.44	8.20	-35.70
CC1(C2CC2)NC(=O)N(C2=CC=CC(CNC(=O)C(=O)[O-])=C2)C1=O	REAL300011487462	0	40	-1.0	-50.79	336.63	4.94	-45.85
CC1=CC=C(CN(CC2CCCO2)C(=O)C(=O)[O-])C(Br)=C1	REAL300011487463	0	38	-1.0	-50.98	318.24	9.11	-41.87
CC1=CC=C(CN(CC2=CC=CS2)C(=O)C(=O)[O-])C(Br)=C1	REAL300011487464	0	34	-1.0	-46.26	311.39	9.98	-36.28
O=C([O-])C(=O)NC1=CC=C(OC2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300011487465	0	32	-1.0	-42.32	301.14	7.92	-34.40
O=C([O-])C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)N1CCOCC1	REAL300011487466	0	42	-1.0	-51.79	350.61	5.34	-46.45
O=C([O-])C(=O)N1CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300011487467	0	35	-1.0	-44.09	300.49	6.98	-37.11
O=C([O-])C(=O)NCC1=NC(C2=CC=CC(Br)=C2)=NO1	REAL300011487468	0	26	-1.0	-42.64	270.90	3.51	-39.13
O=C([O-])C(=O)N[C@@H](CC1=CC=CC(F)=C1)CN1C(=O)C2=CC=CC=C2C1=O	REAL300011487469	0	41	-1.0	-57.37	356.34	9.10	-48.27
O=C([O-])C(=O)N[C@@H]1C[C@H]1C1=CC=C(Br)C(F)=C1	REAL300011487470	0	25	-1.0	-43.91	253.33	6.32	-37.59
O=C([O-])C(=O)N[C@H]1C[C@H](C2=CC=C(F)C(Br)=C2)C1	REAL300011487471	0	28	-1.0	-44.31	269.44	6.85	-37.46
O=C([O-])C(=O)N1CCC(C2=NC(C3=CC=CC=C3Br)=NO2)CC1	REAL300011487472	0	36	-1.0	-47.54	321.34	7.05	-40.49
COCCN(CC1=CC(Br)=CS1)C(=O)C(=O)[O-]	REAL300011487473	0	28	-1.0	-45.61	268.36	6.53	-39.08
CC(CCC1=CC=C(I)C=C1)NC(=O)C(=O)[O-]	REAL300011487474	0	30	-1.0	-43.76	289.25	7.89	-35.87
CC1=CC=C(I)C=C1NC(=O)C(=O)[O-]	REAL300011487475	0	21	-1.0	-43.87	219.17	6.04	-37.83
COC1=CC(NC(=O)C(=O)[O-])=CC=C1NC(=O)C1=CC=CN=C1	REAL300011487476	0	35	-1.0	-47.02	309.07	3.68	-43.34
CCN(CC)C(=O)COC1=CC=C(NC(=O)C(=O)[O-])C=C1Cl	REAL300011487477	0	38	-1.0	-47.92	338.46	7.34	-40.58
O=C([O-])C(=O)N1CCOC(C2=CC=C(F)C(Br)=C2)C1	REAL300011487478	0	29	-1.0	-41.84	271.70	6.05	-35.79
O=C([O-])C(=O)NC(C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300011487479	0	32	-1.0	-42.65	284.35	6.75	-35.90
CC1CCCN(C2=CC=C(CNC(=O)C(=O)[O-])C=C2Cl)C1	REAL300011487480	0	39	-1.0	-43.07	326.27	6.73	-36.34
O=C([O-])C(=O)NCC1=CC=CC(OC2=CC=CC3=CC=CC=C32)=C1	REAL300011487481	0	38	-1.0	-47.56	334.14	9.44	-38.12
O=C([O-])C(=O)NCC1=CC=CC(OC2=CC3=CC=CC=C3C=C2)=C1	REAL300011487482	0	38	-1.0	-46.53	333.58	9.35	-37.18
O=C([O-])C(=O)NCC(OCC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300011487483	0	38	-1.0	-45.74	347.22	8.78	-36.96
O=C([O-])C(=O)NC(CC1=CC=CC=N1)C1=CC=C(Br)C=C1	REAL300011487484	0	33	-1.0	-51.69	303.34	8.23	-43.46
CC1=C(I)C=CC=C1NC(=O)C(=O)[O-]	REAL300011487485	0	21	-1.0	-40.85	214.33	5.86	-34.99
O=C([O-])C(=O)NC1=CC=C(N2CCSCC2)C(Cl)=C1	REAL300011487486	0	31	-1.0	-43.06	287.49	6.19	-36.87
COC1=CC(OC)=CC(OC2=CC=CC(CNC(=O)C(=O)[O-])=C2)=C1	REAL300011487487	0	40	-1.0	-48.75	346.39	5.68	-43.07
O=C([O-])C(=O)NC1CCCN(CC2=CC=C(F)C=C2F)C1=O	REAL300011487488	0	35	-1.0	-65.08	302.02	6.22	-58.86
O=C([O-])C(=O)NC1CCCN(C2=CC=C(Cl)C=C2Cl)C1=O	REAL300011487489	0	32	-1.0	-55.29	309.27	6.92	-48.37
CC1=CC(N2CCCC(NC(=O)C(=O)[O-])C2=O)=CC=C1Br	REAL300011487490	0	35	-1.0	-55.59	316.08	6.79	-48.80
O=C([O-])C(=O)N[C@@H](CC(F)(F)F)C1=CC=C(Br)C=C1	REAL300011487491	0	27	-1.0	-46.09	264.31	6.53	-39.56
O=C([O-])C(=O)NCC1=CC=C(I)C(Cl)=C1	REAL300011487493	0	21	-1.0	-41.25	240.89	5.77	-35.48
O=C([O-])C(=O)NCC(C(=O)OCC1=CC=CC=C1)C1=CC=CC=C1	REAL300011487494	0	40	-1.0	-47.21	353.35	9.54	-37.67
O=C([O-])C(=O)N1CCCCC1C1=NC(C2=CC=CC(F)=C2)=CN1	REAL300011487495	0	38	-1.0	-52.71	312.77	7.63	-45.08
O=C([O-])C(=O)N1CCCCC1C1=NC2=CC(Cl)=CC=C2N1	REAL300011487496	0	34	-1.0	-53.07	290.46	6.54	-46.53
O=C([O-])C(=O)N1CCCCC1C1=NC2=CC=C(Cl)C=C2N1	REAL300011487496	1	34	-1.0	-50.91	290.43	6.52	-44.39
O=C([O-])C(=O)NCC(CO)CC1=CC(F)=CC(Br)=C1	REAL300011487498	0	31	-1.0	-47.01	292.34	4.30	-42.71
O=C([O-])C(=O)NC1=CN(CC2=CC=C(Br)C=C2Cl)N=C1	REAL300011487499	0	28	-1.0	-46.25	291.87	6.69	-39.56
O=C([O-])C(=O)NCC1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300011487500	0	34	-1.0	-42.69	295.00	3.34	-39.35
CC(C)NS(=O)(=O)C1=CC=CC(CNC(=O)C(=O)[O-])=C1	REAL300011487502	0	35	-1.0	-50.15	315.57	1.90	-48.25
CN(CCOC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)C(=O)[O-]	REAL300011487503	0	33	-1.0	-62.69	302.49	1.48	-61.21
O=C([O-])C(=O)NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1	REAL300011487504	0	32	-1.0	-45.52	300.87	9.02	-36.50
O=C([O-])C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1C1=CC=CC=C1	REAL300011487505	0	36	-1.0	-43.74	311.01	5.03	-38.71
O=C([O-])C(=O)NC1CCN(CC2=CC=CC(Br)=C2)CC1	REAL300011487506	0	36	-1.0	-44.67	314.58	5.53	-39.14
CN(CC(O)C1=CC=CC(Br)=C1)C(=O)C(=O)[O-]	REAL300011487507	0	28	-1.0	-45.16	262.31	5.23	-39.93
CSC1=CC=CC=C1OCC(O)CN(C(=O)C(=O)[O-])C(C)C	REAL300011487508	0	42	-1.0	-53.91	344.22	6.45	-47.46
CN(CC(O)C1=CC=C(Br)C=C1)C(=O)C(=O)[O-]	REAL300011487509	0	28	-1.0	-45.02	260.92	5.24	-39.78
CN(CC(O)C1=CC=CC=C1Br)C(=O)C(=O)[O-]	REAL300011487510	0	28	-1.0	-50.35	258.29	4.54	-45.81
CC#CCC(NCC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300011836006	0	36	-1.0	-53.78	345.66	8.25	-45.53
CC#CCC(NCC1=CSC(C2=CC=C(OC)C=C2)=N1)C(=O)[O-]	REAL300011836007	0	40	-1.0	-56.17	359.91	7.02	-49.15
CC#CCC(NCC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300011836015	0	32	-1.0	-42.74	317.58	7.01	-35.73
CC#CCC(NCC1=C(Cl)N(C2=CC=CC=N2)N=C1C)C(=O)[O-]	REAL300011836018	1	39	-1.0	-47.79	356.00	8.58	-39.21
CC#CCC(NCC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300011836021	1	36	-1.0	-57.82	334.94	7.44	-50.38
CC#CCC(NCC1=CSC(C2=NN(C)C=C2)=N1)C(=O)[O-]	REAL300011836037	0	36	-1.0	-66.40	335.24	5.39	-61.01